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Sample records for sub-group differences graphics

  1. Stata 8 Graphics: Options, sub-options and sub-sub-options

    OpenAIRE

    Tim Collier

    2005-01-01

    Stata 8 graphics have changed out of all recognition from that available in earlier versions. It was not just that a whole new array of options and sub-options were introduced, but the graph syntax itself completely changed. Just trying to produce a simple plot of x against y using Stata 7 syntax (graph x y) produced bewildering error messages e.g. xgraph_g.new y: class member function not found r(4023) and the like. If you did succeed in working out the new syntax (graph twoway scatter x y) ...

  2. Theoretical assessment of the electro-optical features of the group III nitrides (B{sub 12}N{sub 12}, Al{sub 12}N{sub 12} and Ga{sub 12}N{sub 12}) and group IV carbides (C{sub 24}, Si{sub 12}C{sub 12} and Ge{sub 12}C{sub 12}) nanoclusters encapsulated with alkali metals (Li, Na and K)

    Energy Technology Data Exchange (ETDEWEB)

    Tahmasebi, Elham [Chemistry Department, Faculty of Science, Lorestan University, Khorram Abad, Lorestan (Iran, Islamic Republic of); Shakerzadeh, Ehsan, E-mail: e.shakerzadeh@scu.ac.ir [Chemistry Department, Faculty of Science, Shahid Chamran University, Ahvaz (Iran, Islamic Republic of); Biglari, Zeinab [Chemistry Department, Faculty of Science, Lorestan University, Khorram Abad, Lorestan (Iran, Islamic Republic of)

    2016-02-15

    Graphical abstract: - Highlights: • Encapsulation of Li, Na and K narrow the HOMO–LUMO gaps of the clusters. • The group III nitrides nanoclusters strongly interacted with the alkali metals. • First hyperpolarizabilities remarkably enhance for B{sub 12}N{sub 12} encapsulated with Na/K. - Abstract: Density functional theory (DFT) calculations have been carried out to study the influence of alkali metals (Li, Na and K) encapsulation within the group III nitrides (B{sub 12}N{sub 12}, Al{sub 12}N{sub 12} and Ga{sub 12}N{sub 12}) and the group IV carbides (C{sub 24}, Si{sub 12}C{sub 12}and Ge{sub 12}C{sub 12}) nanoclusters. The encapsulation of Li, Na and K atoms is found to narrow the HOMO–LUMO gaps of the considered clusters. The electronic properties of these clusters, especially the group III nitrides nanoclusters, are strongly sensitive to interaction with the alkali metals. Moreover it is observed that the encapsulation of alkali metals enhances the first hyperpolarizabilities of B{sub 12}N{sub 12} nanocluster. Surprisingly, due to the alkali metals encapsulation within B{sub 12}N{sub 12} nanocluster, the first hyperpolarizability values are remarkably increased to 8505.49 and 122,503.76 a.u. for Na@B{sub 12}N{sub 12} and K@B{sub 12}N{sub 12}, respectively. Also the TD-DFT calculations at both CAM-B3LYP/6-311+G(d) and PBE0/6-311+G(d) levels of theory are also performed to investigate the origin of first hyperpolarizabilities.

  3. Group Design Problems in Engineering Design Graphics.

    Science.gov (United States)

    Kelley, David

    2001-01-01

    Describes group design techniques used within the engineering design graphics sequence at Western Washington University. Engineering and design philosophies such as concurrent engineering place an emphasis on group collaboration for the solving of design problems. (Author/DDR)

  4. New Algebraic Groups Produced By Graphical Passwords Based On Colorings And Labellings

    Directory of Open Access Journals (Sweden)

    Sun Hui

    2017-01-01

    Full Text Available Safety of plain text passwords has been questioned in current researching information passwords. Graphical passwords are another way for alternative text-based passwords and to improve the user account security. As we are constructing Topsnut-graphical passwords that can be traced to an idea of “Graph structure plus the number theory” proposed first by Hongyu Wang with her colleagues, we find that some of Topsnut-graphical passwords can be composed of algebraic groups under the principle of Abelian additive finite group. We apply the odd-elegant labelling of graph theory to produce Topsnut-graphical passwords, and verify our Topsnut-graphical passwords can form algebraic groups, called labelling graphical groups. Our results can provide those users who have business in two or more banks, and our methods are easily transformed into algorithms with polynomial times.

  5. Integrated graphical user interface for the back-end software sub-system

    International Nuclear Information System (INIS)

    Badescu, E.; Caprini, M.

    2001-01-01

    The ATLAS data acquisition and Event Filter prototype '-1' project was intended to produce a prototype system for evaluating candidate technologies and architectures for the final ATLAS DAQ system on the LHC accelerator at CERN. Within the prototype project, the back-end sub-system encompasses the software for configuring, controlling and monitoring the data acquisition (DAQ). The back-end sub-system includes core components and detector integration components. One of the detector integration components is the Integrated Graphical User Interface (IGUI), which is intended to give a view of the status of the DAQ system and its sub-systems (Dataflow, Event Filter and Back-end) and to allow the user (general users, such as a shift operator at a test beam or experts, in order to control and debug the DAQ system) to control its operation. The IGUI is intended to be a Status Display and a Control Interface too, so there are three groups of functional requirements: display requirements (the information to be displayed); control requirements (the actions the IGUI shall perform on the DAQ components); general requirements, applying to the general functionality of the IGUI. The constraint requirements include requirements related to the access control (shift operator or expert user). The quality requirements are related to the portability on different platforms. The IGUI has to interact with many components in a distributed environment. The following design guidelines have been considered in order to fulfil the requirements: use a modular design with easy possibility to integrate different sub-systems; use Java language for portability and powerful graphical features; use CORBA interfaces for communication with other components. The actual implementation of Back-end software components use Inter-Language Unification (ILU) for inter-process communication. Different methods of access of Java applications to ILU C++ servers have been evaluated (native methods, ILU Java support

  6. Growth and characterization of acentric BaHf(BO{sub 3}){sub 2} and BaZr(BO{sub 3}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Mączka, Mirosław, E-mail: m.maczka@int.pan.wroc.pl [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Szymborska-Małek, Katarzyna; Gągor, Anna [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Majchrowski, Andrzej [Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Str., 00-908 Warszawa (Poland)

    2015-05-15

    Growth, single crystal X-ray diffraction, polarized Raman and infrared (IR) studies of BaHf(BO{sub 3}){sub 2} are presented. Raman and IR spectra of polycrystalline BaZr(BO{sub 3}){sub 2} are also reported to facilitate assignment of modes. BaHf(BO{sub 3}){sub 2} borate crystallizes in trigonal system, space group R3c, with lattice parameters: a=5.1540(4) Å, c=33.901(3) Å. It accommodates dolomite-like structure doubled in the c direction, which is built of alternating layers of HfO{sub 6} octahedra and BaO{sub 6} distorted trigonal prisms that are connected through borate groups. The obtained structural as well as spectroscopic data show that BaHf(BO{sub 3}){sub 2} is isostructural with BaZr(BO{sub 3}){sub 2} and the deviations from centrosymmetry is small. - Graphical abstract: Arrangement of BO{sub 3} groups in BaHf(BO{sub 3}){sub 2} along the c direction in one unit cell. Dark and light blue denote different borate groups. - Highlights: • BaHf(BO{sub 3}){sub 2} single crystals were grown. • X-ray diffraction showed that this borate crystallizes in the acentric R3c structure. • Raman and IR spectra were measured for BaHf(BO{sub 3}){sub 2} and BaZr(BO{sub 3}){sub 2}, respectively. • Assignment of modes is proposed.

  7. Theoretical studies of one- and two-photon absorption properties for three molecules with different centers (B and N) and peripheral substituted groups [N(CH{sub 3}){sub 2} and CN

    Energy Technology Data Exchange (ETDEWEB)

    Han Deming [State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023 (China); Feng Jikang, E-mail: jikangf@yahoo.co [State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023 (China); College of Chemistry, Jilin University, Changchun 130023 (China); Ren Aimin [State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023 (China); Shang Xiaohong [College of Chemistry, Jilin University, Changchun 130023 (China); Liu Xiaojuan [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2009-08-15

    Three molecules with different centers (boron and nitrogen) and peripheral substituted groups [N(CH{sub 3}){sub 2} and CN] have been theoretically studied with B3LYP/6-31G(d) associated with ZINDO and sum-over-states methods. The maximum two-photon absorption cross-section delta{sub max} of the molecule with boron (B) center and N(CH{sub 3}){sub 2} peripheral group is larger than that of the molecule with nitrogen (N) center and N(CH{sub 3}){sub 2} peripheral group. As for the two molecules with N center, the delta{sub max} is obviously increased with the change from N(CH{sub 3}){sub 2} to CN group. This indicates that the large intramolecular charge transfer is in favor of the TPA response.

  8. Synthesis, structure, and polymorphism of A{sub 3}LnSi{sub 2}O{sub 7} (A=Na, K; Ln=Sm, Ho, Yb)

    Energy Technology Data Exchange (ETDEWEB)

    Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; Loye, Hans-Conrad zur, E-mail: zurloye@mailbox.sc.edu

    2016-03-15

    Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family, K{sub 3}SmSi{sub 2}O{sub 7}, Na{sub 3}HoSi{sub 2}O{sub 7}, and two polymorphs of Na{sub 3}YbSi{sub 2}O{sub 7}, are reported. K{sub 3}SmSi{sub 2}O{sub 7} crystallizes in the hexagonal space group P6{sub 3}/mcm, Na{sub 3}HoSi{sub 2}O{sub 7} and Na{sub 3}YbSi{sub 2}O{sub 7} crystallize in the hexagonal space group P6{sub 3}/m, and Na{sub 3}YbSi{sub 2}O{sub 7} crystallizes in the trigonal space group P31c. The Na{sub 3}YbSi{sub 2}O{sub 7} composition that crystallizes in P31c is a new structure type. The magnetic properties for the Ho and Yb analogs are reported. - Graphical abstract: The different structure types and polymorphs of the A{sub 3}LnSi{sub 2}O{sub 7} family reported. - Highlights: • Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family are presented. • Na{sub 3}YbSi{sub 2}O{sub 7} is reported as two polymorphs, one is a new structure type. • Crystals synthesized out of molten fluoride fluxes.

  9. Population genetic structure of peninsular Malaysia Malay sub-ethnic groups.

    Science.gov (United States)

    Hatin, Wan Isa; Nur-Shafawati, Ab Rajab; Zahri, Mohd-Khairi; Xu, Shuhua; Jin, Li; Tan, Soon-Guan; Rizman-Idid, Mohammed; Zilfalil, Bin Alwi

    2011-04-05

    Patterns of modern human population structure are helpful in understanding the history of human migration and admixture. We conducted a study on genetic structure of the Malay population in Malaysia, using 54,794 genome-wide single nucleotide polymorphism genotype data generated in four Malay sub-ethnic groups in peninsular Malaysia (Melayu Kelantan, Melayu Minang, Melayu Jawa and Melayu Bugis). To the best of our knowledge this is the first study conducted on these four Malay sub-ethnic groups and the analysis of genotype data of these four groups were compiled together with 11 other populations' genotype data from Indonesia, China, India, Africa and indigenous populations in Peninsular Malaysia obtained from the Pan-Asian SNP database. The phylogeny of populations showed that all of the four Malay sub-ethnic groups are separated into at least three different clusters. The Melayu Jawa, Melayu Bugis and Melayu Minang have a very close genetic relationship with Indonesian populations indicating a common ancestral history, while the Melayu Kelantan formed a distinct group on the tree indicating that they are genetically different from the other Malay sub-ethnic groups. We have detected genetic structuring among the Malay populations and this could possibly be accounted for by their different historical origins. Our results provide information of the genetic differentiation between these populations and a valuable insight into the origins of the Malay sub-ethnic groups in Peninsular Malaysia.

  10. Population Genetic Structure of Peninsular Malaysia Malay Sub-Ethnic Groups

    Science.gov (United States)

    Hatin, Wan Isa; Nur-Shafawati, Ab Rajab; Zahri, Mohd-Khairi; Xu, Shuhua; Jin, Li; Tan, Soon-Guan; Rizman-Idid, Mohammed; Zilfalil, Bin Alwi

    2011-01-01

    Patterns of modern human population structure are helpful in understanding the history of human migration and admixture. We conducted a study on genetic structure of the Malay population in Malaysia, using 54,794 genome-wide single nucleotide polymorphism genotype data generated in four Malay sub-ethnic groups in peninsular Malaysia (Melayu Kelantan, Melayu Minang, Melayu Jawa and Melayu Bugis). To the best of our knowledge this is the first study conducted on these four Malay sub-ethnic groups and the analysis of genotype data of these four groups were compiled together with 11 other populations' genotype data from Indonesia, China, India, Africa and indigenous populations in Peninsular Malaysia obtained from the Pan-Asian SNP database. The phylogeny of populations showed that all of the four Malay sub-ethnic groups are separated into at least three different clusters. The Melayu Jawa, Melayu Bugis and Melayu Minang have a very close genetic relationship with Indonesian populations indicating a common ancestral history, while the Melayu Kelantan formed a distinct group on the tree indicating that they are genetically different from the other Malay sub-ethnic groups. We have detected genetic structuring among the Malay populations and this could possibly be accounted for by their different historical origins. Our results provide information of the genetic differentiation between these populations and a valuable insight into the origins of the Malay sub-ethnic groups in Peninsular Malaysia. PMID:21483678

  11. Core/shell-type nanorods of Tb{sup 3+}-doped LaPO{sub 4}, modified with amine groups, revealing reduced cytotoxicity

    Energy Technology Data Exchange (ETDEWEB)

    Runowski, Marcin [Adam Mickiewicz University, Department of Rare Earths, Faculty of Chemistry (Poland); Dąbrowska, Krystyna [Polish Academy of Sciences, Bacteriophage Laboratory, Institute of Immunology and Experimental Therapy (Poland); Grzyb, Tomasz [Adam Mickiewicz University, Department of Rare Earths, Faculty of Chemistry (Poland); Miernikiewicz, Paulina [Polish Academy of Sciences, Bacteriophage Laboratory, Institute of Immunology and Experimental Therapy (Poland); Lis, Stefan, E-mail: blis@amu.edu.pl [Adam Mickiewicz University, Department of Rare Earths, Faculty of Chemistry (Poland)

    2013-11-15

    A simple co-precipitation reaction between Ln{sup 3+} cations (Ln = lanthanide) and phosphate ions in the presence of polyethylene glycol (PEG), including post-treatment under hydrothermal conditions, leads to the formation of Tb{sup 3+}-doped LaPO{sub 4} crystalline nanorods. The nanoparticles obtained can be successfully coated with amorphous and porous silica, forming core/shell-type nanorods. Both products reveal intensive green luminescence under UV lamp irradiation. The surface of the core/shell-type product can also be modified with –NH{sub 2} groups via silylation procedure, using 3-aminopropyltriethoxysilane as a modifier. Powder X-ray diffraction, transmission electron microscopy, and scanning electron microscopy confirm the desired structure and needle-like shape of the products synthesized. Fourier transform infrared spectroscopy and specific surface area measurements by Brunauer–Emmett–Teller method reveal a successful surface modification with amine groups of the core/shell-type nanoparticles prepared. The nanomaterials synthesized exhibit green luminescence characteristic of Tb{sup 3+} ions, as solid powders and aqueous colloids, examined by spectrofluorometry. The in vitro cytotoxicity studies reveal different degree toxicity of the products. LaPO{sub 4}:Tb{sup 3+}@SiO{sub 2}@NH{sub 2} exhibits the smallest toxicity against B16F0 mouse melanoma cancer cells and human skin microvascular endothelial cell lines, in contrast to the most toxic LaPO{sub 4}:Tb{sup 3+}@SiO{sub 2}.Graphical Abstract.

  12. The appliance of graphics modeling in nuclear plant information system

    International Nuclear Information System (INIS)

    Bai Zhe; Li Guofang

    2010-01-01

    The nuclear plants contain a lot of sub-system, such as operation management, manufacture system, inventory system, human resource system and so forth. The standardized data graphics modeling technology can ensure the data interaction, compress the design cycle, avoid the replicated design, ensure the data integrity and consistent. The standardized data format which is on the basis of STEP standard and complied with XML is competent tool in different sub-system of nuclear plants. In order to meet this demand, a data graphics modeling standard is proposed. It is shown the relationship between systems, in system, between data by the standard. The graphic modeling effectively improves the performance between systems, designers, engineers, operations, supports department. It also provides the reliable and available data source for data mining and business intelligence. (authors)

  13. Graphical symbol recognition

    OpenAIRE

    K.C. , Santosh; Wendling , Laurent

    2015-01-01

    International audience; The chapter focuses on one of the key issues in document image processing i.e., graphical symbol recognition. Graphical symbol recognition is a sub-field of a larger research domain: pattern recognition. The chapter covers several approaches (i.e., statistical, structural and syntactic) and specially designed symbol recognition techniques inspired by real-world industrial problems. It, in general, contains research problems, state-of-the-art methods that convey basic s...

  14. Driver style and driver skill – Clustering sub-groups of drivers differing in their potential danger in traffic

    DEFF Research Database (Denmark)

    Martinussen, Laila Marianne; Møller, Mette; Prato, Carlo Giacomo

    The Driver Behavior Questionnaire (DBQ) and the Driver Skill Inventory (DSI) are two of the most frequently used measures of self-reported driving style and driving skill. The motivation behind the present study was to test drivers’ consistency or judgment of their own self-reported driving ability...... based on a combined use of the DBQ and the DSI. Moreover, the joint use of the two instruments was applied to identify sub-groups of drivers that differ in their potential danger in traffic (as measured by frequency of aberrant driving behaviors and level of driving skills), as well as to test whether...... the sub-groups of drivers differed in characteristics such as age, gender, annual mileage and accident involvement. 3908 drivers aged 18–84 participated in the survey. The results suggested that the drivers are consistent in their reporting of driving ability, as the self-reported driving skill level...

  15. Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3})

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Chang-Yu; Wei, Ming-Fang [Department of Chemistry and Materials, Yulin Normal University,Yulin, Guangxi 537000 (China); Geng, Lei, E-mail: lgeng.cn@gmail.com [Department of Materials Science and Engineering, Huaibei Normal University, Huaibei, Anhui 235000 (China); Hu, Pei-Qing; Yu, Meng-Xia [Department of Chemistry and Materials, Yulin Normal University,Yulin, Guangxi 537000 (China); Cheng, Wen-Dan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2016-07-15

    Two new bismuth(III) selenite/tellurite nitrates, [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV–vis–NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P2{sub 1}/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}] {sup 3}{sub ∞} with NO{sub 3}{sup −} anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO{sub 3})](NO{sub 3}) features 2D bismuth(III) tellurite [Bi(TeO{sub 3}){sub 2}]{sup 2}{sub ∞} layers separated by NO{sub 3}{sup −} anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors. - Graphical abstract: Two novel bismuth{sup III} selenite/tellurite nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) with 3D tunnel structure and [Bi(TeO{sub 3})](NO{sub 3}) with 2D layer structure have been firstly synthesized and characterized. Display Omitted - Highlights: • Two novel bismuth{sup III} nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}) were firstly

  16. Synthesis, crystal structure, thermal analysis and dielectric properties of [(C{sub 4}H{sub 9}){sub 4}N]{sub 3}Bi{sub 2}Cl{sub 9} compound

    Energy Technology Data Exchange (ETDEWEB)

    Trigui, W., E-mail: walatrigui@yahoo.fr; Oueslati, A.; Chaabane, I.; Hlel, F.

    2015-07-15

    A new organic–inorganic tri-tetrabutylammonium nonachlorobibismuthate(III) compound was prepared. It was found to crystallize in the monoclinic system (P2{sub 1}/n space group) with the following lattice parameters: a=11.32(2) Å, b=22.30(3) Å, c=28.53(2) Å and β=96.52(0)°. The [Bi{sub 2}Cl{sub 9}]{sup 3−} anions are surrounded by six [(C{sub 4}H{sub 9})N]{sup +} cations, forming an octahedral configuration. These octahedra are sharing corners in order to provide the tri-dimensional network cohesion. The differential scanning calorimetry reveals four order-disorder reversible phase transitions located at 214, 238, 434 and 477 K. The Raman and infrared spectra confirm the presence of both cationic [(C{sub 4}H{sub 9})N]{sup +} and anionic [Bi{sub 2}Cl{sub 9}]{sup 3−} parts. The dielectric parameters, real and imaginary dielectric permittivity (ε′ and ε″), and dielectric loss tangent (tg δ), were measured in the frequency range of 209 kHz–5 MHz at different temperatures. The variations of dielectric dispersion (ε') and dielectric absorption (ε″) with frequency show a distribution of relaxation times, which is probably related to the change in the dynamical state of the [(C{sub 4}H{sub 9}){sub 4}N]{sup +} cations and the [Bi{sub 2}Cl{sub 9}]{sup 3−} anions. - Graphical abstract: Projection of the atomic arrangement of the [(C{sub 4}H{sub 9}){sub 4}N]{sub 3}Bi{sub 2}Cl{sub 9} compound along the b axis. - Highlights: • The structure of the (TBA){sub 3}Bi{sub 2}Cl{sub 9} compound was solved and reported. • The cristal belongs to the monoclinic system with P2{sub 1}/n space group. • DSC discloses four order–disorder reversible phases transitions. • The temperature-dependent permittivity ε' and ε″ has been investigated.

  17. Synthesis and characterization of Cu{sub 2}O/TiO{sub 2} photocatalysts for H{sub 2} evolution from aqueous solution with different scavengers

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yanping; Wang, Baowei, E-mail: wangbw@tju.edu.cn; Liu, Sihan; Duan, Xiaofei; Hu, Zongyuan

    2015-01-01

    Graphical abstract: - Highlights: • Cu{sub 2}O/TiO{sub 2} photocatalyst are prepared by a facile ethanol reduction method. • The heterojunction between p-type Cu{sub 2}O and n-type TiO{sub 2} improves activity of TiO{sub 2}. • An optimal molar fraction of Cu{sub 2}O is reported in Cu{sub 2}O/TiO{sub 2} photocatalysts. • The effect of different alcohols scavengers on activity of Cu{sub 2}O/TiO{sub 2} is discussed. - Abstract: A series of Cu{sub 2}O/TiO{sub 2} photocatalysts with different molar fraction of Cu{sub 2}O were prepared by a facile modified ethanol-induced approach followed by a calcination process. The chemical state of copper compound was proved to be cuprous oxide by the characterization of X-ray photoelectron spectra (XPS). Furthermore, these composite oxides were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N{sub 2} adsorption desorption and UV–vis techniques to study the morphologies, structures, and optical properties of the as-prepared samples. The results indicated that the photocatalytic activity of n-type TiO{sub 2} was significantly enhanced by combined with p-type Cu{sub 2}O, due to the efficient p–n heterojunction. The p–n heterojunction between Cu{sub 2}O and TiO{sub 2} can enhance visible-light adsorption, efficiently suppress charge recombination, improve interfacial charge transfer, and especially provide plentiful reaction active sites on the surface of photocatalyst. As a consequence, the prepared 2.5-Cu{sub 2}O/TiO{sub 2} photocatalyst exhibited the highest photocatalytic activity for H{sub 2} evolution rate and reached 2048.25 μmol/(g h), which is 14.48 times larger than that of pure P25. The apparent quantum yield (AQY) of the 2.5-Cu{sub 2}O/TiO{sub 2} sample at 365 nm was estimated to be 4.32%. In addition, the influence of different scavengers, namely methanol, anhydrous ethanol, ethylene glycol and glycerol, on the photocatalytic activity for H{sub 2} evolution rate was

  18. Ba{sub 2}Cu{sub 2}Te{sub 2}P{sub 2}O{sub 13}: A new telluro-phosphate with S=1/2 Heisenberg chain

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Mingjun [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Shen, Shipeng; Lu, Jun; Sun, Young [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Li, R.K., E-mail: rkli@mail.ipc.ac.cn [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2015-10-15

    A new telluro-phosphate compound Ba{sub 2}Cu{sub 2}Te{sub 2}P{sub 2}O{sub 13} with S=1/2 Heisenberg chain has been successfully synthesized by solid state reaction and grown by flux method. Single crystal X-ray diffraction reveals that Ba{sub 2}Cu{sub 2}Te{sub 2}P{sub 2}O{sub 13} crystallizes into a monoclinic space group C2/c and cell parameters of a=17.647(3) Å, b=7.255(2) Å, c=9.191(2) Å and β=100.16 (3)°. In the structure of Ba{sub 2}Cu{sub 2}Te{sub 2}P{sub 2}O{sub 13}, one dimensional [CuTePO{sub 7}]{sup 3−} chains are formed by tetrahedral PO{sub 4} and trigonal bi-pyramidal TeO{sub 4} joining square planar CuO{sub 4} groups. Those [CuTePO{sub 7}]{sup 3−} chains are inter-connected by sharing one oxygen atom from the TeO{sub 4} group to form two dimensional layers. Magnetic susceptibility and specific heat measurements confirm that the title compound is a model one dimensional Heisenberg antiferromagnetic chain system. - Graphical abstract: Ba{sub 2}Cu{sub 2}Te{sub 2}P{sub 2}O{sub 13}, containing (CuTePO{sub 7}){sup 3−} chains formed by PO{sub 4} and TeO{sub 4} joining CuO{sub 4} groups, shows typical 1D Heisenberg antiferromagnetic chain model behavior as confirmed by magnetic measurements. - Highlights: • New telluro-phosphate Ba{sub 2}Cu{sub 2}Te{sub 2}P{sub 2}O{sub 13} has been grown. • It features layered structure composed of [CuTePO{sub 7}]{sup 3−} chains and TeO{sub 4} groups. • It shows the Heisenberg antiferromagnetic chain behavior. • It is transparent in the range of 1000–2500 nm with a UV absorption edge of 393 nm.

  19. Er{sub 1.33}Pt{sub 3}Ga{sub 8}: A modulated variant of the Er{sub 4}Pt{sub 9}Al{sub 24}-structure type

    Energy Technology Data Exchange (ETDEWEB)

    Oswald, Iain W.H. [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Gourdon, Olivier [Research and Development, ZS Pharma, Coppell, TX 75109 (United States); Bekins, Amy; Evans, Jess [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019 (United States); Treadwell, LaRico J. [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Chan, Julia Y., E-mail: Julia.Chan@utdallas.edu [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Macaluso, Robin T., E-mail: robin.macaluso@uta.edu [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019 (United States); Department of Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO 80639 (United States)

    2016-10-15

    Single crystals of Er{sub 1.33}Pt{sub 3}Ga{sub 8} were synthesized in a molten Ga flux. Er{sub 1.33}Pt{sub 3}Ga{sub 8} can be considered to be a modulated variant of the Er{sub 4}Pt{sub 9}Al{sub 24}-structure type, where the partial occupancies are ordered. Indeed, the presence of weak satellite reflections indicates a complex organization and distribution of the Er and Ga atoms within the [ErGa] slabs. The structure has been solved based on single crystal X-ray diffraction data in the monoclinic superspace group X2/m(0β0)00 with a commensurate modulated vector q=1/3b*. Precession images also indicate diffusion in the perpendicular direction indicating a partial disorder of this arrangement from layer to layer. In addition, Er{sub 1.33}Pt{sub 3}Ga{sub 8} shows antiferromagnetic ordering at T{sub N}~5 K. - Graphical abstract: A precession image of the hk0 zone showing weak, periodic, unindexed reflections indicating modulation and representation of the commensurate [ErGa] layer showing the waving modulated occupation. - Highlights: • Single crystals of Er{sub 1.33}Pt{sub 3}Ga{sub 8} were grown from gallium flux. • The structure of Er{sub 1.33}Pt{sub 3}Ga{sub 8} is compared to Er{sub 4}Pt{sub 9}Al{sub 24}. • Structure has been solved in the monoclinic superspace group X2/m(0β0)00 with a commensurate modulated vector q=1/3b*.

  20. Synthesis, surface group modification of 3D MnV{sub 2}O{sub 6} nanostructures and adsorption effect on Rhodamine B

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wanqun, E-mail: wqz@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Micro-scale, University of Science and Technology of China, Hefei, Anhui 230026 (China); Chemical Experimental Teaching Center, University of Science and Technology of China, Hefei, Anhui 230026 (China); Shi, Lei, E-mail: shil@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Micro-scale, University of Science and Technology of China, Hefei, Anhui 230026 (China); Tang, Kaibin; Liu, Zhongping [Hefei National Laboratory for Physical Sciences at Micro-scale, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2012-07-15

    Highlights: ► Fabrication of urchin-like MnV{sub 2}O{sub 6} with oxygen-containing surface groups. ► Mn{sub 0.5}V{sub 2}O{sub 5}·nH{sub 2}O as an intermediate product holds the key to the final products. ► 3D architectures of MnV{sub 2}O{sub 6} with oxygen-containing surface groups as sorbent. ► The sorbent shows a good adsorption ability. -- Abstract: Highly uniform 3D MnV{sub 2}O{sub 6} nanostructures modified by oxygen functional groups (-COO-) were successfully prepared in large quantities by an approach involving preparation of vanadyl ethylene glycolate as the precursor. The growth and self-assembly of MnV{sub 2}O{sub 6} nanobelts and nanorods could be readily tuned by additive species and quantities, which brought different morphologies and sizes to the final products. With a focus on the regulation of structure, the formation process of 3D architectures of MnV{sub 2}O{sub 6} by self-assembly of nanobelts was followed by field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD). The consecutive processes of vanadyl ethylene glycolate and benzoyl peroxide assisted formation of layered structure Mn{sub 0.5}V{sub 2}O{sub 5}·nH{sub 2}O, growth of aligned MnV{sub 2}O{sub 6} nanobelts, and oriented assembly were proposed for the growth mechanism. The band gap vs. different morphology was also studied. Optical characterization of these MnV{sub 2}O{sub 6} with different morphologies showed direct bandgap energies at 1.8–1.95 eV. The adsorption properties of 3D MnV{sub 2}O{sub 6} nanostructures synthesized under different conditions were investigated through the removal test of Rhodamine B in aqueous water, and the 3D nanostructures synthesized with 30 g L{sup −1} benzoyl peroxide showed good adsorption capability of Rhodamine B.

  1. Electronic, structural and magnetic studies of niobium borides of group 8 transition metals, Nb{sub 2}MB{sub 2} (M=Fe, Ru, Os) from first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Touzani, Rachid St.; Fokwa, Boniface P.T., E-mail: Boniface.Fokwa@ac.rwth-aachen.de

    2014-03-15

    The Nb{sub 2}FeB{sub 2} phase (U{sub 3}Si{sub 2}-type, space group P4/mbm, no. 127) is known for almost 50 years, but until now its magnetic properties have not been investigated. While the synthesis of Nb{sub 2}OsB{sub 2} (space group P4/mnc, no. 128, a twofold superstructure of U{sub 3}Si{sub 2}-type) with distorted Nb-layers and Os{sub 2}-dumbbells was recently achieved, “Nb{sub 2}RuB{sub 2}” is still not synthesized and its crystal structure is yet to be revealed. Our first principles density functional theory (DFT) calculations have confirmed not only the experimental structures of Nb{sub 2}FeB{sub 2} and Nb{sub 2}OsB{sub 2}, but also predict “Nb{sub 2}RuB{sub 2}” to crystalize with the Nb{sub 2}OsB{sub 2} structure type. According to chemical bonding analysis, the homoatomic B–B interactions are optimized and very strong, but relatively strong heteroatomic M–B, B–Nb and M–Nb bonds (M=Fe, Ru, Os) are also found. These interactions, which together build a three-dimensional network, are mainly responsible for the structural stability of these ternary borides. The density-of-states at the Fermi level predicts metallic behavior, as expected, from metal-rich borides. Analysis of possible magnetic structures concluded preferred antiferromagnetic ordering for Nb{sub 2}FeB{sub 2}, originating from ferromagnetic interactions within iron chains and antiferromagnetic exchange interactions between them. -- Graphical abstract: Nb{sub 2}FeB{sub 2} (U{sub 3}Si{sub 2} structure type, space group P4/mbm, no. 127) is predicted to order antiferromagnetically, due to the presence of iron chains which show ferromagnetic interactions in the chains and antiferromagnetic interactions between them. “Nb{sub 2}RuB{sub 2}” is predicted to crystallize with the recently discovered Nb{sub 2}OsB{sub 2} twofold superstructure (space group P4/mnc, no. 128) of U{sub 3}Si{sub 2} structure type. The building of ruthenium dumbbells instead of chains along [001] is found to be

  2. Sub-grouping and sub-functionalization of the RIFIN multi-copy protein family

    Directory of Open Access Journals (Sweden)

    Sonnhammer Erik L

    2008-01-01

    Full Text Available Abstract Background Parasitic protozoans possess many multicopy gene families which have central roles in parasite survival and virulence. The number and variability of members of these gene families often make it difficult to predict possible functions of the encoded proteins. The families of extra-cellular proteins that are exposed to a host immune response have been driven via immune selection to become antigenically variant, and thereby avoid immune recognition while maintaining protein function to establish a chronic infection. Results We have combined phylogenetic and function shift analyses to study the evolution of the RIFIN proteins, which are antigenically variant and are encoded by the largest multicopy gene family in Plasmodium falciparum. We show that this family can be subdivided into two major groups that we named A- and B-RIFIN proteins. This suggested sub-grouping is supported by a recently published study that showed that, despite the presence of the Plasmodium export (PEXEL motif in all RIFIN variants, proteins from each group have different cellular localizations during the intraerythrocytic life cycle of the parasite. In the present study we show that function shift analysis, a novel technique to predict functional divergence between sub-groups of a protein family, indicates that RIFINs have undergone neo- or sub-functionalization. Conclusion These results question the general trend of clustering large antigenically variant protein groups into homogenous families. Assigning functions to protein families requires their subdivision into meaningful groups such as we have shown for the RIFIN protein family. Using phylogenetic and function shift analysis methods, we identify new directions for the investigation of this broad and complex group of proteins.

  3. Bi{sub 2}O{sub 3}–CuO–P{sub 2}O{sub 5} system: Two novel compounds built from the intergrowths oxocentered polycationic 1D-ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Colmont, Marie, E-mail: marie.colmont@ensc-lille.fr [Universite Lille 1, Universite Lille Nord France, ENSCL, CNRS, UCCS, UMR 8181, F-59652 Villeneuve d' Ascq (France); Endara, Diana; Aliev, Almaz [Universite Lille 1, Universite Lille Nord France, ENSCL, CNRS, UCCS, UMR 8181, F-59652 Villeneuve d' Ascq (France); Terryn, Christine [Plateforme Imagerie Cellulaire et Tissulaire, 51 Rue Cognacq-Jay, 51100 Reims (France); Huvé, Marielle; Mentré, Olivier [Universite Lille 1, Universite Lille Nord France, ENSCL, CNRS, UCCS, UMR 8181, F-59652 Villeneuve d' Ascq (France)

    2013-07-15

    Single crystals of two novel bismuth copper oxyphosphates were grown from a unique melt. They have been structurally characterized by means of single crystal X-Ray Diffraction (XRD). Bi{sub 29.4}Cu{sub 9.29}O{sub 32}(PO{sub 4}){sub 16}Cu{sub 2.63} (1) is orthorhombic, space group Pca2{sub 1}, a=33.0549(2)A, b=11.6991(4)A and c=5.2902(2)A, R{sub 1}=0.059 and wR{sub 2}=0.061. Bi{sub 37.2}Cu{sub 18.8}O{sub 44}(PO{sub 4}){sub 24}Cu{sub 5} (2) is orthorhombic, space group Pna2{sub 1}, a=11.6010(3)A, b=47.4384(5)A and c=5.267(2)A, R{sub 1}=0.0940 and wR{sub 2}=0.0981. Both compounds are formed of similar 1D building units (BUs) organized into two different 3D regular intergrowths mediated by phosphate groups. Here, the so-called 1D-BUs are infinite ribbons formed by edge-sharing O(Bi,M){sub 4} tetrahedra with n=4 and n=3 tetrahedra-wide units. Both compounds were analyzed from the viewpoint of their relationship with the parent δ-Bi{sub 2}O{sub 3} fluorite-like structure, where phosphorus atoms substitutes for some Bi sites. A non-exhaustive review of the related structural types is given. We have checked by second harmonic generacy (SHG) microscopy that the two non-centrosymmetric structures (despite polar subunits) lead to SHG before the samples are irreversibly damaged. - Graphical abstract: This paper reports the crystal structure of two new bismuth oxophosphate compounds. Both are built on the association of n=3 and 4 building unit ribbons surrounded by isolated PO4 tetrahedra and tunnels hosting Cu{sup 2+} cations. They come in addition to the numerous Bi-based compounds already pointed out. Once more, this is the proof of the richness of this crystal system. - Highlights: • Two new bismuth oxophosphates were synthesized. • Crystal structure were solved thanks to single crystal X-Ray diffraction. • They show two different associations of n=3 and 4 ribbons built on [O,(Bi,M){sub 4}] tetrahedral sharing edges and surrounded by isolated PO4 groups. • SHG

  4. Graphics gems II

    CERN Document Server

    Arvo, James

    1991-01-01

    Graphics Gems II is a collection of articles shared by a diverse group of people that reflect ideas and approaches in graphics programming which can benefit other computer graphics programmers.This volume presents techniques for doing well-known graphics operations faster or easier. The book contains chapters devoted to topics on two-dimensional and three-dimensional geometry and algorithms, image processing, frame buffer techniques, and ray tracing techniques. The radiosity approach, matrix techniques, and numerical and programming techniques are likewise discussed.Graphics artists and comput

  5. Shape-driven graphical unitary group approach to the electron correlation problem. Application to the ethylene molecule

    International Nuclear Information System (INIS)

    Saxe, P.; Fox, D.J.; Schaefer, H.F. III; Handy, N.C.

    1982-01-01

    A new method for the approximate solution of Schroedinger's equation for many electron molecular systems is outlined. The new method is based on the unitary group approach (UGA) and exploits in particular the shape of loops appearing in Shavitt's graphical representation for the UGA. The method is cast in the form of a direct CI, makes use of Siegbahn's external space simplifications, and is suitable for very large configuration interaction (CI) wave functions. The ethylene molecule was chosen, as a prototype of unsaturated organic molecules, for the variational study of genuine many (i.e.,>2) body correlation effects. With a double zeta plus polarization basis set, the largest CI included all valence electron single and double excitations with respect to a 703 configuration natural orbital reference function. This variational calculation, involving 1 046 758 spin- and space-adapted 1 A/sub g/ configurations, was carried out on a minicomputer. Triple excitations are found to contribute 2.3% of the correlation energy and quadruple excitations 6.4%

  6. The new silver borate Ag{sub 3}B{sub 5}O{sub 9}

    Energy Technology Data Exchange (ETDEWEB)

    Sohr, Gerhard; Falkowski, Viktoria; Huppertz, Hubert, E-mail: hubert.huppertz@uibk.ac.at

    2015-05-15

    Single crystals of Ag{sub 3}B{sub 5}O{sub 9} were obtained via high-pressure synthesis at 3 GPa and 600 °C, using a Walker-type multianvil high-pressure device. Ag{sub 3}B{sub 5}O{sub 9} crystalizes with a=674.7(2), b=943.5(2), c=1103.5(2) pm, V=0.7025(2) nm{sup 3}, and Z=4 in the noncentrosymmetric space group P2{sub 1}2{sub 1}2{sub 1} (no. 19). The orthorhombic structure was refined from 3740 independent reflections with R1=0.0496 and wR2=0.587 (all data). It is built up from infinite corner-sharing chains of BO{sub 4} tetrahedra along the a axis, which are interconnected by BO{sub 3} groups to form a network. In the structure, three crystallographically independent sites are occupied with Ag{sup +} cations exhibiting argentophillic interactions. The synthetic conditions as well as the results of the single crystal structure analysis are presented. - Graphical abstract: Noncentrosymmetric silver borate: During investigations in the system Ag–B–O, a new noncentrosymmetric silver borate Ag{sub 3}B{sub 5}O{sub 9} was discovered. The new structure type is built up from corner-sharing BO{sub 3} and BO{sub 4} groups, forming a network. Argentophillic interactions are clearly indicated by the Ag{sup +}⋯Ag{sup +} distances present in the structure. - Highlights: • A noncentrosymmetric borate Ag{sub 3}B{sub 5}O{sub 9} is accessible via high-pressure synthesis. • Ag{sub 3}B{sub 5}O{sub 9} is the second high-pressure silver borate. • Ag{sup +}⋯Ag{sup +} distances in Ag3B5O9 clearly indicate the presence of argentophillic interactions.

  7. Graphic warning labels on plain cigarette packs: will they make a difference to adolescents?

    Science.gov (United States)

    McCool, Judith; Webb, Lisa; Cameron, Linda D; Hoek, Janet

    2012-04-01

    Graphic warning labels and plain cigarette packaging are two initiatives developed to increase quit behaviour among smokers. Although a little is known about how adolescents interpret graphic warning labels, very few studies have examined how plain cigarette packaging would affect adolescents' perceptions of cigarette smoking and smoking behaviour. We explored how teens interpret and respond to graphic warning labels and the plain packaging of cigarettes, to assess the potential these strategies may offer in deterring smoking initiation. Twelve focus group interviews with a sample of 80 14-16 year old students from a diverse range of schools in Auckland, New Zealand were undertaken between June and August 2009. Textual analysis revealed that graphic warning labels may influence adolescents by reiterating a negative image of smokers. Graphic warning on a plain cigarette pack increased the attention paid to graphic warning labels and the overall perceptions of harm caused by cigarette smoking, and reduced the social appeal of cigarette smoking. This research offers evidence on how adolescents are appraising and interpreting graphic warning labels, and explores how dominant appraisals may affect the role graphic warning labels play in preventing smoking. Not only would plain cigarette packaging enhance the salience and impact of graphic warning labels, but it would potentially bolster the overall message that cigarette smoking is harmful. In the context of a comprehensive tobacco control programme, graphic warning labels on plain cigarette packaging present an explicit message about the risks (to health and image) associated with cigarette smoking. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. One step synthesis of Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon spheres with enhanced photocatalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Lingling [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Luo, Zhijun, E-mail: lzj@ujs.edu.cn [School of the Environment, Jiangsu University, Zhenjiang 212013 (China); State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093 (China); Tang, Chao [Maple Leaf International High School, Zhenjiang 212013 (China)

    2013-11-15

    Graphical abstract: Functional groups of sodium gluconate play synergetic roles in the formation of Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon core–shell nanosturctures (Bi@Bi{sub 2}O{sub 3}@CRCSs). Bi@Bi{sub 2}O{sub 3}@CRCSs exhibits significant enhanced photocatalytic activity under visible light irradiation. - Highlights: • One step synthesis of Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon spheres. • Functional groups of sodium gluconate play synergetic roles in the formation of Bi@Bi{sub 2}O{sub 3}@CRCSs. • Bi@Bi{sub 2}O{sub 3}@CRCSs exhibits enhanced photocatalytic activity under visible light irradiation. - Abstract: Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon core-shell nanosturctures (Bi@Bi{sub 2}O{sub 3}@CRCSs) have been synthesized via a one-step method. The core–shell nanosturctures of the as-prepared samples were confirmed by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and Raman spectroscopy. The formation of Bi@Bi{sub 2}O{sub 3}@CRCSs core–shell nanosturctures should attribute to the synergetic roles of different functional groups of sodium gluconate. Bi@Bi{sub 2}O{sub 3}@CRCSs exhibits significant enhanced photocatalytic activity under visible light irradiation (λ > 420 nm) and shows an O{sub 2}-dependent feature. According to trapping experiments of radicals and holes, hydroxyl radicals were not the main active oxidative species in the photocatalytic degradation of MB, but O{sub 2}·{sup −} are the main active oxidative species.

  9. Sub-pixel analysis to support graphic security after scanning at low resolution

    Science.gov (United States)

    Haas, Bertrand; Cordery, Robert; Gou, Hongmei; Decker, Steve

    2006-02-01

    Whether in the domain of audio, video or finance, our world tends to become increasingly digital. However, for diverse reasons, the transition from analog to digital is often much extended in time, and proceeds by long steps (and sometimes never completes). One such step is the conversion of information on analog media to digital information. We focus in this paper on the conversion (scanning) of printed documents to digital images. Analog media have the advantage over digital channels that they can harbor much imperceptible information that can be used for fraud detection and forensic purposes. But this secondary information usually fails to be retrieved during the conversion step. This is particularly relevant since the Check-21 act (Check Clearing for the 21st Century act) became effective in 2004 and allows images of checks to be handled by banks as usual paper checks. We use here this situation of check scanning as our primary benchmark for graphic security features after scanning. We will first present a quick review of the most common graphic security features currently found on checks, with their specific purpose, qualities and disadvantages, and we demonstrate their poor survivability after scanning in the average scanning conditions expected from the Check-21 Act. We will then present a novel method of measurement of distances between and rotations of line elements in a scanned image: Based on an appropriate print model, we refine direct measurements to an accuracy beyond the size of a scanning pixel, so we can then determine expected distances, periodicity, sharpness and print quality of known characters, symbols and other graphic elements in a document image. Finally we will apply our method to fraud detection of documents after gray-scale scanning at 300dpi resolution. We show in particular that alterations on legitimate checks or copies of checks can be successfully detected by measuring with sub-pixel accuracy the irregularities inherently introduced

  10. New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO{sub 4}(OH), centrosymmetric Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Ming-Li [College of Chemistry, Fuzhou University, Fuzhou, Fujian 350108 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Marsh, Matthew [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States); Shang, Xian-Xing [College of Chemistry, Fuzhou University, Fuzhou, Fujian 350108 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Mao, Jiang-Gao [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Albrecht-Schmitt, Thomas E. [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States); Kong, Fang, E-mail: kongfang@fjirsm.ac.cn [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States)

    2017-05-15

    Two new vanadium tellurites, VTeO{sub 4}(OH) (1) and Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2), have been synthesized successfully with the use of hydrothermal reactions. The crystal structures of the two compounds were determined by single-crystal X-ray diffraction. Compound 1 crystallizes in the polar space group Pca2{sub 1} (No. 29) while compound 2 crystallizes in the centrosymmetric space group C2/c (No. 15). The topography of compound 1 reveals a two-dimensional, layered structure comprised of VO{sub 6} octahedral chains and TeO{sub 3}(OH) zig-zag chains. Compound 2, on the contrary, features a three-dimensional [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic framework with Ba{sup 2+} ions filled into the 10-member ring helical tunnels. The [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic network is the first 3D vanadium tellurite framework to be discovered in the alkaline-earth vanadium tellurite system. Powder second harmonic generation (SHG) measurements indicate that compound 1 shows a weak SHG response of about 0.3×KDP (KH{sub 2}PO{sub 4}) under 1064 nm laser radiation. Infrared spectroscopy, elemental analysis, thermal analysis, and dipole moment calculations have also been carried out. - Graphical abstract: VTeO{sub 4}(OH) (1) crystallizes in the noncentrosymmetric space group Pca2{sub 1} (No. 29) while Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) crystallizes in the centrosymmetric space group C2/c (No. 15). - Highlights: • VTeO{sub 4}(OH) (1) and Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) have been synthesized successfully with the use of hydrothermal reactions. • VTeO{sub 4}(OH) (1) crystallizes in the noncentrosymmetric space group Pca2{sub 1} and displays a weak SHG response. • VTeO{sub 4}(OH) (1) represents only the fourth SHG-active material found in vanadium tellurite systems. • Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) exhibits a novel three-dimensional [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10

  11. Structural, spectroscopic and cytotoxicity studies of TbF{sub 3}@CeF{sub 3} and TbF{sub 3}@CeF{sub 3}@SiO{sub 2} nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Grzyb, Tomasz; Runowski, Marcin [Adam Mickiewicz University, Department of Rare Earths, Faculty of Chemistry (Poland); Dabrowska, Krystyna [Polish Academy of Sciences, Bacteriophage Laboratory, Institute of Immunology and Experimental Therapy (Poland); Giersig, Michael; Lis, Stefan, E-mail: blis@amu.edu.pl [Adam Mickiewicz University, Department of Rare Earths, Faculty of Chemistry (Poland)

    2013-10-15

    Terbium fluoride nanocrystals, covered by a shell, composed of cerium fluoride were synthesized by a co-precipitation method. Their complex structure was formed spontaneously during the synthesis. The surface of these core/shell nanocrystals was additionally modified by silica. The properties of TbF{sub 3}@CeF{sub 3} and TbF{sub 3}@CeF{sub 3}@SiO{sub 2} nanocrystals, formed in this way, were investigated. Spectroscopic studies showed that the differences between these two groups of products resulted from the presence of the SiO{sub 2} shell. X-ray diffraction patterns confirmed the trigonal crystal structure of TbF{sub 3}@CeF{sub 3} nanocrystals. High resolution transmission electron microscopy in connection with energy-dispersive X-ray spectroscopy showed a complex structure of the formed nanocrystals. Crystallized as small discs, 'the products', with an average diameter around 10 nm, showed an increase in the concentration of Tb{sup 3+} ions from surface to the core of nanocrystals. In addition to photo-physical analyses, cytotoxicity studies were performed on HSkMEC (Human Skin Microvascular Endothelial Cells) and B16F0 mouse melanoma cancer cells. The cytotoxicity of the nanomaterials was neutral for the investigated cells with no toxic or antiproliferative effect in the cell cultures, either for normal or for cancer cells. This fact makes the obtained nanocrystals good candidates for biological applications and further modifications of the SiO{sub 2} shell.Graphical Abstract.

  12. Synthesis, structure, and electronic structure calculation of a new centrosymmetric borate Pb{sub 2}O[BO{sub 2}(OH)] based on anion-centered OPb{sub 4} tetrahedra

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Feng [College of Chemistry and Chemical Engineering, Xinjiang Normal University, Urumqi 830054 (China); Wang, Li, E-mail: wangliresearch@163.com [College of Chemistry and Chemical Engineering, Xinjiang Normal University, Urumqi 830054 (China); Stoumpos, Constantinos C. [Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States)

    2016-08-15

    The synthesis, structure, and characterization of a new centrosymmetric borate Pb{sub 2}O[BO{sub 2}(OH)] based on anion-centered OPb{sub 4} tetrahedra are reported. Pb{sub 2}O[BO{sub 2}(OH)] crystallizes in monoclinic space group C2/m with a=12.725(7) Å, b=5.698(3) Å, c=7.344(4) Å, β=116.277(6)°. The electronic band structure and density of states of Pb{sub 2}O[BO{sub 2}(OH)] have been calculated via the density functional theory (DFT). Electron density difference calculation indicates that lone-pair electrons of Pb{sup 2+} cation should be stereoactive. - Graphical abstract: An indirect gap compound of Pb{sub 2}O[BO{sub 2}(OH)] with 2D inorganic layers motif based on OPb{sub 4} tetrahedra has been synthesized and full characterized by crystallographic, IR, TG, UV–vis-NIR Diffuse Reflectance, and theoretical calculations. Display Omitted - Highlights: • A centrosymmetric borate Pb{sub 2}O[BO{sub 2}(OH)] was synthesized and characterized. • The crystalstructure, electronic band and density states was analyzed. • The lone-pair electrons of Pb{sup 2+} were proved to be stereoactive.

  13. Progress report on the work of sub-group B

    International Nuclear Information System (INIS)

    Buck, C.; Tamiya, S.

    1979-01-01

    This paper reviews sub group B's 11 tasks, commenting upon each and noting what work remains to be done and the procedure adopted for completing it. The majority of the tasks have been completed and it was decided that further consideration of their assessment of proliferation resistance, institutional and safeguards questions and the economic assessment of reprocessing be carried out jointly with sub group A. It was also agreed that all further meetings of sub group B should take place jointly with sub group A

  14. Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung-Chul; Kwak, Hyun-Jung [Department of Energy Systems Research, Ajou University, Suwon 16499 (Korea, Republic of); Yoo, Chung-Yul [Advanced Materials & Devices Laboratory, Korea Institute of Energy Research, Daejeon 34129 (Korea, Republic of); Yun, Hoseop [Department of Energy Systems Research, Ajou University, Suwon 16499 (Korea, Republic of); Kim, Seung-Joo, E-mail: sjookim@ajou.ac.kr [Department of Energy Systems Research, Ajou University, Suwon 16499 (Korea, Republic of)

    2016-11-15

    A new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}, was synthesized in the form of either a single-crystal or polycrystalline powder using the molten hydroxide flux method or a solid-state reaction, respectively. Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} crystallizes to the P2{sub 1}/n (Z=4) monoclinic space group with lattice parameters a≈4.95 Å, b≈22.06 Å, c≈8.63 Å, and β≈91.5°. The structure is composed of stacked [LiSrAl(PO{sub 4}){sub 2}] layers alternating regularly with [LiSrPO{sub 4}] layers. In the [LiSrAl(PO{sub 4}){sub 2}] sublattice, the AlO{sub 6} octahedra and PO{sub 4} tetrahedra are tilted cooperatively to form an anionic, corrugated, two-dimensional [Al(PO{sub 4}){sub 2}]{sup 3−} framework that can be regarded as a “distorted-glaserite” structure. The [LiSrPO{sub 4}] sublattice is that of a layered block containing a six-membered ring formed from alternating linkages of LiO{sub 4} and PO{sub 4} tetrahedra. The six-membered rings show a boat-type arrangement with the up(U) or down(D) pointing sequence, UUDUUD. The interspace between the two sublattices generates a two-dimensional pathway for Li{sup +} ion conduction. The impedance measurement indicated that Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} had a moderate ion conductivity (σ≈1.30×10{sup −4} S cm{sup −1} at 667 K), with an activation energy E{sub a}≈1.02 eV. - Graphical abstract: Polyhedral view of Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}. Li{sup +} ions are represented by green spheres, Sr atoms by white spheres, AlO{sub 6} groups by octahedra, and PO{sub 4} groups by tetrahedra. - Highlights: • New compound Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} is reported. • The crystal structure is investigated by single-crystal XRD analysis. • The structure is formed by the alternate stacking of two different sublattices. • Correlation between the crystal structure and ionic conductivity is discussed.

  15. Quaternionic representation of the Coxeter group W(H{sub 4}) and the polyhedra

    Energy Technology Data Exchange (ETDEWEB)

    Koca, Mehmet [Department of Physics, College of Science, Sultan Qaboos University, PO Box 36, Al-Khod 123, Muscat (Oman); Al-Ajmi, Mudhahir [Department of Physics, College of Science, Sultan Qaboos University, PO Box 36, Al-Khod 123, Muscat (Oman); Koc, Ramazan [Department of Physics, Faculty of Engineering, University of Gaziantep, 27310 Gaziantep (Turkey)

    2006-11-10

    The vertices of the four-dimensional polytope {l_brace}3, 3, 5{r_brace} and its dual {l_brace}5, 3, 3{r_brace} admitting the symmetry of the non-crystallographic Coxeter group W(H{sub 4}) of order 14,400 are represented in terms of quaternions with unit norm where the polytope {l_brace}3, 3, 5{r_brace} is represented by the elements of the binaryicosahedral group of quaternions of order 120. We projected the polytopes to three-dimensional Euclidean space where the quaternionic vertices are the orbits of the Coxeter group W(H{sub 3}), icosahedral group with inversion, where W(H{sub 3}) x Z{sub 2} is one of the maximal subgroups of the Coxeter group W(H{sub 4}). The orbits of the icosahedral group W(H{sub 3}) in the polytope {l_brace}3, 3, 5{r_brace} are the conjugacy classes of the binary icosahedral group and represent a number of icosahedrons, dodecahedrons and one icosidodecahedron in three dimensions. The 15 orbits of the icosahedral group W(H{sub 3}) in the polytope {l_brace}5, 3, 3{r_brace} represent the dodecahedrons, icosidodecahedrons, small rhombicosidodecahedrons and some convex solids possessing the icosahedral symmetry. One of the convex solids with 60 vertices is very similar to the truncated icosahedron (soccer ball) but with two different edge lengths which can be taken as a realistic model of the C{sub 60} molecule at extreme temperature and pressure.

  16. Topologically identical, but geometrically isomeric layers in hydrous α-, β-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O and anhydrous Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Na; Klepov, Vladislav V. [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Villa, Eric M. [Department of Chemistry, Creighton University, 2500 California Plaza, Omaha NE 68178 (United States); Bosbach, Dirk [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Suleimanov, Evgeny V. [Department of Chemistry, Lobachevsky State University of Nizhny Novgorod, 603950 Nizhny Novgorod (Russian Federation); Depmeier, Wulf [Institut für Geowissenschaften, Universität zu Kiel, 24118 Kiel (Germany); Albrecht-Schmitt, Thomas E., E-mail: albrecht-schmitt@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, 102 Varsity Way, Tallahassee, FL 32306-4390 (United States); Alekseev, Evgeny V., E-mail: e.alekseev@fz-juelich.de [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Institut für Kristallographie, RWTH Aachen University, 52066 Aachen (Germany)

    2014-07-01

    The hydrothermal reaction of uranyl nitrate with rubidium nitrate and arsenic (III) oxide results in the formation of polymorphic α- and β-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O (α-, β-RbUAs) and the anhydrous phase Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] (RbUAs). These phases were structurally, chemically and spectroscopically characterized. The structures of all three compounds are based upon topologically identical, but geometrically isomeric layers. The layers are linked with each other by means of the Rb cations and hydrogen bonding. Dehydration experiments demonstrate that water deintercalation from hydrous α- and β-RbUAs yields anhydrous RbUAs via topotactic reactions. - Graphical abstract: Three different layer geometries observed in the structures of Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] and α- and β- Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O. Two different coordination environments of uranium polyhedra (types I and II) are shown schematically on the top of the figure. - Highlights: • Three new uranyl arsenates were synthesized from the hydrothermal reactions. • The phases consist of the topologically identical but geometrically different layers. • Topotactic transitions were observed in the processes of mono-hyrates dehydration.

  17. A novel organic–inorganic hybrid with Anderson type polyanions as building blocks: (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Thabet, Safa, E-mail: safathabet@hotmail.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Ayed, Brahim, E-mail: brahimayed@yahoo.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Haddad, Amor [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ► Synthesis of a novel inorganic–organic hybrid compound based on Anderson polyoxomolybdates. ► Characterization by X-ray diffraction, IR and UV–Vis spectroscopies of the new compound. ► Potential applications in catalysis, biochemical analysis and electrical conductivity of the organic–inorganic compound. -- Abstract: A new organic–inorganic hybrid compound based on Anderson polyoxomolybdates, (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O (1) have been isolated by the conventional solution method and characterized by single-crystal X-ray diffraction, infrared, ultraviolet spectroscopy and Thermogravimetric Analysis (TGA). This compound crystallized in the triclinic system, space group P−1, with a = 94.635(1) Å, b = 10.958(1) Å, c = 11.602(1) Å, α = 67.525(1)°, β = 71.049(1)°, γ = 70.124(1)° and Z = 1. The crystal structures of the compounds exhibit three-dimensional supramolecular assembly based on the extensive hydrogen bonding interactions between organic cations, sodium cations, water molecules and Anderson polyoxoanions. The infrared spectrum fully confirms the X-ray crystal structure and the UV spectrum of the title compound exhibits an absorption peak at 210 nm.

  18. Synthesis and structural and magnetic characterization of the frustrated magnetic system La{sub 2}Ni{sub 4/3−x}Co{sub x}Sb{sub 2/3}O{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Franco, D.G., E-mail: diego.g.franco@cab.cnea.gov.ar [Laboratorio de Bajas Temperaturas, Centro Atómico Bariloche (CNEA), 8400 Bariloche, Río Negro (Argentina); INFIQC-CONICET, Dpto. de Físico-Química, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, X5000HUA Córdoba (Argentina); Carbonio, R.E. [INFIQC-CONICET, Dpto. de Físico-Química, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, X5000HUA Córdoba (Argentina); Nieva, G. [Laboratorio de Bajas Temperaturas, Centro Atómico Bariloche (CNEA), 8400 Bariloche, Río Negro (Argentina); Instituto Balseiro (CNEA-UNCuyo) Centro Atómico Bariloche, 8400 Bariloche, Río Negro (Argentina)

    2013-11-15

    We report the synthesis of double perovskites La{sub 2}Ni{sub 4/3−x}Co{sub x}Sb{sub 2/3}O{sub 6} with x=0, 1/3, 2/3 and 1 by a solid state method. Rietveld refinements of X-ray and neutron powder diffraction data show that all samples crystallize in space group P2{sub 1}/n, with almost perfect occupation of the 2d octahedral site with the transition metals, while all Sb{sup 5+} are randomly distributed in a 2c octahedral site. The saturation magnetization in hysteresis loops indicates that the samples are ferrimagnetic throughout all the series. Virgin magnetization curves lie outside hysteresis loops at low temperatures and thermal evolution of H{sub m} – defined as the inflection point of these curves – follows the de Almeida–Thouless dependence for x≠0. This spin glass like behavior below 30 K is also supported by thermal evolution of the coercivity, which follows an exponential law typical of magnetic clusters, not found in the pure Ni{sup 2+} perovskite, x=0 extreme. - Graphical abstract: Display Omitted - Author-Highlights: • We synthesized new double perovskites: La{sub 2}Ni{sub 4/3−x}Co{sub x}SbO{sub 6} (x=1/3, 2/3, 1). • The cations occupying octahedral sites are highly ordered in all samples. • Magnetic transition occurs as a consequence of superexchange paths. • Frustration is found and attributed to competition between different interactions.

  19. Studies on solid solutions based on layered honeycomb-ordered phases P2-Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn)

    Energy Technology Data Exchange (ETDEWEB)

    Berthelot, Romain; Schmidt, Whitney; Sleight, A.W. [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States); Subramanian, M.A., E-mail: mas.subramanian@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States)

    2012-12-15

    Three complete solid solutions between the layered phases P2-Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn) have been prepared by conventional solid state method and investigated through X-ray diffraction, magnetism and optical measurements. All compositions are characterized by a M{sup 2+}/X{sup 6+} honeycomb ordering within the slabs and crystallize in a hexagonal unit cell. However, a structural transition based on a different stacking is observed as nickel (space group P6{sub 3}/mcm) is substituted by zinc or cobalt (space group P6{sub 3}22). All compositions exhibit a paramagnetic Curie-Weiss behavior at high temperatures; and the magnetic moment values confirm the presence of Ni{sup 2+} and/or Co{sup 2+} cations. The low-temperature antiferromagnetic order of Na{sub 2}Ni{sub 2}TeO{sub 6} and Na{sub 2}Co{sub 2}TeO{sub 6} is suppressed by zinc substitution. The color of the obtained compositions varies from pink, to light green and white when M=Co, Ni, Zn, respectively. - Graphical abstract: The comparison between the structure of Na{sub 2}Ni{sub 2}TeO{sub 6} (left) and Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Zn) (right) evidences the stacking difference with distinct atom sequences along the hexagonal c-axis. Highlights: Black-Right-Pointing-Pointer Solid solutions between lamellar phases Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn) are investigated. Black-Right-Pointing-Pointer A M{sup 2+}/X{sup 6+} honeycomb ordering characterized all the compositions. Black-Right-Pointing-Pointer A structural transition is shown when Ni is replaced by Co or Zn. Black-Right-Pointing-Pointer The low-temperature AFM ordering of Na{sub 2}Ni{sub 2}TeO{sub 6} and Na{sub 2}Co{sub 2}TeO{sub 6} is suppressed by zinc substitution. Black-Right-Pointing-Pointer Color changes from pink to light green and white when M=Co, Ni, Zn, respectively.

  20. New insight into electrochemical-induced synthesis of NiAl{sub 2}O{sub 4}/Al{sub 2}O{sub 3}: Synergistic effect of surface hydroxyl groups and magnetism for enhanced adsorptivity of Pd(II)

    Energy Technology Data Exchange (ETDEWEB)

    Salleh, N.F.M. [Department of Chemical Engineering, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Jalil, A.A., E-mail: aishah@cheme.utm.my [Department of Chemical Engineering, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Centre of Hydrogen Energy, Institute of Future Energy, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Triwahyono, S. [Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Efendi, J. [Department of Chemistry, Universitas Negeri Padang, Jl. Prof. Hamka, Air Tawar, Padang, West Sumatera (Indonesia); Mukti, R.R. [Division of Inorganic and Physical Chemistry, Faculty of Mathematics and Natural Science, Institut Teknologi Bandung, Jl Ganesha No 10, Bandung 40132 (Indonesia); Hameed, B.H. [School of Chemical Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia)

    2015-09-15

    Graphical abstract: - Highlights: • The introduction of Ni to γ-Al{sub 2}O{sub 3} by electrolysis formed NiAl{sub 2}O{sub 4} spinels and NiO. • Physical mixed of NiO with γ-Al{sub 2}O{sub 3} only produced agglomerated NiO-Ni{sup 0}. • Ni/Al{sub 2}O{sub 3}-E has remarkably higher degree of magnetism than Ni/Al{sub 2}O{sub 3}-PM. • Ni/Al{sub 2}O{sub 3}-E adsorbed Pd{sup 2+} ions more effectively (q{sub m} = 40.3 mg/g) than Ni/Al{sub 2}O{sub 3}-PM. • Pd{sup 2+} ions were adsorbed to both samples via magnetic attraction and ion exchange. - Abstract: A new promising adsorbent, Ni supported on γ-Al{sub 2}O{sub 3} was prepared in a simple electrolysis system (Ni/Al{sub 2}O{sub 3}-E) in minutes and was compared with the sample prepared by a physical mixing method (Ni/Al{sub 2}O{sub 3}-PM). The adsorbents were characterized by XRD, TEM, FTIR, {sup 27}Al MAS NMR, XPS, and VSM. The results showed that besides NiO nanoparticles, a NiAl{sub 2}O{sub 4} spinel was also formed in Ni/Al{sub 2}O{sub 3}-E during the electrolysis via the dealumination and isomorphous substitution of Ni{sup 2+} ions. In contrast, only agglomerated NiO was found in the Ni/Al{sub 2}O{sub 3}-PM. Adsorption test on removal of Pd{sup 2+} ions from aqueous solution showed that the Pd{sup 2+} ions were exchanged with the hydrogen atoms of the surface–OH groups of both adsorbents. Significantly, the Ni/Al{sub 2}O{sub 3}-E demonstrated a higher adsorption towards Pd{sup 2+} ions than Ni/Al{sub 2}O{sub 3}-PM due to its remarkably higher degree of magnetism, which came from the NiAl{sub 2}O{sub 4}. The use of 0.1 g L{sup −1} Ni/Al{sub 2}O{sub 3}-E gave the maximum monolayer adsorption capacity (q{sub m}) of 40.3 mg g{sup −1} at 303 K and pH 5. The Ni/Al{sub 2}O{sub 3}-E showed high potential for simultaneous removal of various noble and transition metal ions and could be also used repetitively without affecting the high adsorptivity for Pd{sup 2+} ions. This work may provide promising

  1. Ferromagnetic ordering in ThSi{sub 2} type CeAu{sub 0.28}Ge{sub 1.72}

    Energy Technology Data Exchange (ETDEWEB)

    Sebastian, C. Peter, E-mail: s-peter@northwestern.ed [Department of Chemistry, Northwestern University, 2145 N. Sheridan Road, Evanston, IL 60208-3113 (United States); Kanatzidis, Mercouri G., E-mail: m-kanatzidis@northwestern.ed [Department of Chemistry, Northwestern University, 2145 N. Sheridan Road, Evanston, IL 60208-3113 (United States)

    2010-04-15

    The compound CeAu{sub 0.28}Ge{sub 1.72} crystallizes in the ThSi{sub 2} structure type in the tetragonal space group I4{sub 1}/amd with lattice parameters a=b=4.2415(6) A c=14.640(3) A. CeAu{sub 0.28}Ge{sub 1.72} is a polar intermetallic compound having a three-dimensional Ge/Au polyanion sub-network filled with Ce atoms. The magnetic susceptibility data show Curie-Weiss law behavior above 50 K. The compound orders ferromagnetically at {approx}8 K with estimated magnetic moment of 2.48 mu{sub B}/Ce. The ferromagnetic ordering is confirmed by the heat capacity data which show a rise at {approx}8 K. The electronic specific heat coefficient (gamma) value obtained from the paramagnetic temperature range 15-25 K is {approx}124(5) mJ/ mol K{sup 2}. The entropy change due to the ferromagnetic transition is {approx}4.2 J/mol K which is appreciably reduced compared to the value of R ln(2) expected for a crystal-field-split doublet ground state and/or Kondo exchange interactions. - Graphical abstract: CeAu{sub 0.28}Ge{sub 1.72} crystallizes in the ThSi{sub 2} structure type in the tetragonal space group I4{sub 1}/amd and orders ferromagnetically at {approx}8 K.

  2. Mechanical characterization of TiO{sub 2} nanofibers produced by different electrospinning techniques

    Energy Technology Data Exchange (ETDEWEB)

    Vahtrus, Mikk [Institute of Physics, University of Tartu, Ravila 14c, 50412 Tartu (Estonia); Šutka, Andris [Institute of Physics, University of Tartu, Ravila 14c, 50412 Tartu (Estonia); Institute of Silicate Materials, Riga Technical University, P. Valdena 3/7, Riga LV-1048 (Latvia); Institute of Technical Physics, Riga Technical University, P. Valdena 3, Riga LV-1048 (Latvia); Vlassov, Sergei, E-mail: vlassovs@ut.ee [Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Šutka, Anna [Institute of Textile Technology and Design, Riga Technical University, Riga LV-1048 (Latvia); Laboratory of Biomass Eco-Efficient Conversation, Latvian State Institute of Wood Chemistry, Dzerbenes Street 27, Riga LV-1006 (Latvia); Polyakov, Boris [Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Saar, Rando; Dorogin, Leonid; Lõhmus, Rünno [Institute of Physics, University of Tartu, Ravila 14c, 50412 Tartu (Estonia); Materials Technologies Competence Centre, Riia 185b, 51014 Tartu (Estonia)

    2015-02-15

    In this work TiO{sub 2} nanofibers produced by needle and needleless electrospinning processes from the same precursor were characterized and compared using Raman spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and in situ SEM nanomechanical testing. Phase composition, morphology, Young's modulus and bending strength values were found. Weibull statistics was used to evaluate and compare uniformity of mechanical properties of nanofibers produced by two different methods. It is shown that both methods yield nanofibers with very similar properties. - Graphical abstract: Display Omitted - Highlights: • TiO{sub 2} nanofibers were produced by needle and needleless electrospinning processes. • Structure was studied by Raman spectroscopy and electron microscopy methods. • Mechanical properties were measured using advanced in situ SEM cantilevered beam bending technique. • Both methods yield nanofibers with very similar properties.

  3. Bifunctional bridging linker-assisted synthesis and characterization of TiO{sub 2}/Au nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Žunič, Vojka, E-mail: vojka.zunic@ijs.si, E-mail: vojka13@gmail.com; Kurtjak, Mario; Suvorov, Danilo [Jožef Stefan Institute, Advanced Materials Department (Slovenia)

    2016-11-15

    Using a simple organic bifunctional bridging linker, titanium dioxide (TiO{sub 2}) nanoparticles were coupled with the Au nanoparticles to form TiO{sub 2}/Au nanocomposites with a variety of Au loadings. This organic bifunctional linker, meso-2,3-dimercaptosuccinic acid, contains two types of functional groups: (i) the carboxyl group, which enables binding to the TiO{sub 2}, and (ii) the thiol group, which enables binding to the Au. In addition, the organic bifunctional linker acts as a stabilizing agent to prevent the agglomeration and growth of the Au particles, resulting in the formation of highly dispersed Au nanoparticles. To form the TiO{sub 2}/Au nanocomposites in a simple way, we deliberately applied a synthetic method that simultaneously ensures: (i) the capping of the Au nanoparticles and (ii) the binding of different amounts of Au to the TiO{sub 2}. The TiO{sub 2}/Au nanocomposites formed with this method show enhanced UV and Vis photocatalytic activities when compared to the pure TiO{sub 2} nanopowders.Graphical Abstract.

  4. Structure and magnetic properties of Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H-polytype in the Ba-Ce-Mn-O system

    Energy Technology Data Exchange (ETDEWEB)

    Macias, Mario A. [Grupo de Investigacion en Quimica Estructural (GIQUE), Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9, Ciudad Universitaria, Bucaramanga (Colombia); Mentre, Olivier [Universite Lille Nord de France, Unite de Catalyse et de Chimie du Solide, Equipe Chimie du Solide, Avenue Dimitri Mendeleieev, Batiment C7, ENSCL/UST Lille 1, BP 90108, 59652 Villeneuve d' Ascq Cedex (France); Colis, Silviu [Institut de Physique et Chimie des Materiaux de Strasbourg (IPCMS), UMR 7504 UDS-CNRS (UDS-ECPM), 23 rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France); Cuello, Gabriel J. [Institut Laue Langevin, 6 rue Jules Horowitz BP 156, F-38042 Grenoble cedex 9 (France); Gauthier, Gilles H., E-mail: gilgau@uis.edu.co [Grupo de Investigacion en Quimica Estructural (GIQUE), Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9, Ciudad Universitaria, Bucaramanga (Colombia); CEA, LITEN, Laboratoire d' Innovation Technologique et des Energies Nouvelles, 17 rue des Martyrs, 38054 Grenoble (France)

    2013-02-15

    Based on the peculiar magnetic properties that are observed in pseudo one-dimensional manganites, we decided to synthesize the new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} compound. The preparation was performed by solid state reaction in air at about 1350 Degree-Sign C, for which we found that the compound crystallizes in a hexagonal symmetry with space group P6{sub 3}/mmc (No-194) and cell parameters a=b=5.7861(2) A and c=23.902(1) A. The structural description was correlated with neutron diffraction and bond valence calculations, confirming the presence of Ce{sup 4+} and Mn{sup 4+} segregated in the different crystallographic positions. Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} displays evidence for strong AFM couplings already set at room temperature. The main arrangement of Mn{sup 4+} in magnetically isolated tetramers of face-sharing octahedra is responsible for a metamagnetic-like transition around 50 K. - Graphical abstract: The new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} polytype shows strong AFM couplings in magnetically isolated [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers of face-sharing octahedral, resulting in a metamagnetic-like transition around 50 K. Highlights: Black-Right-Pointing-Pointer Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H polytype, has been prepared in the Ba-Ce-Mn-O system. Black-Right-Pointing-Pointer The compound crystallizes in the P6{sub 3}/mmc space group with (cchhh){sub 2} stacking sequence. Black-Right-Pointing-Pointer [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers are separated by [CeO{sub 6}] octahedra in the structure. Black-Right-Pointing-Pointer Instead of robust AFM ordering, a metamagnetic-like transition is found around 50 K.

  5. Picturing Illness: History, Poetics, and Graphic Medicine

    Directory of Open Access Journals (Sweden)

    Raghavi Ravi Kasthuri

    2015-05-01

    Full Text Available Comics have often been treated as a juvenile and sub-literary art form; however, taking cues from the new-found cultural acceptance of comics, particularly with the publication of Art Spiegelman’s Maus (1986, Chris Ware’s Jimmy Corrigan: The Smartest Kid on Earth (2000, and Alison Bechdel’s Fun Home: A Family Tragedy (2006, there have emerged, over the past decade, a new breed of comics dealing with the patient/caregivers’ experiences, perspectives and identities. Christened as graphic medicine, these illness narratives use comics as a medium to address wide ranging disease/illness related issues. The present review examines the following issues: What is graphic medicine? Is there a tangible relationship between underground comics and graphic medicine? If so, can we regard underground comics as historical precedent to graphic medicine? What are the uses of comics in medicine? Broadly put, drawing examples from various graphic medical narratives, the paper seeks to trace the history and poetics of graphic medicine.

  6. Pressure-induced phase transitions in acentric BaHf(BO{sub 3}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Mączka, Mirosław, E-mail: m.maczka@int.pan.wroc.pl [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Szymborska-Małek, Katarzyna [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Sousa Pinheiro, Gardenia de [Departamento de Física, Universidade Federal do Piauí, Teresina, PI 64049-550 (Brazil); Cavalcante Freire, Paulo Tarso [Departamento de Fisica, Universidade Federal do Ceara, Fortaleza CE-60455-970 (Brazil); Majchrowski, Andrzej [Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Street, 00-908 Warszawa (Poland)

    2015-08-15

    High-pressure Raman scattering studies revealed that BaHf(BO{sub 3}){sub 2} is more compressible than calcite-type orthoborates and calcite, aragonite or dolomite carbonates. It undergoes a first-order reversible pressure-induced phase transition in the 3.9–4.4 GPa pressure range. Second structural change is observed at 9.2 GPa. The intermediate phase is most likely trigonal. However, Raman results suggest increase in the number of distinct BO{sub 3} groups from two in the ambient pressure phase to at least three in the intermediate phase. This intermediate phase is also strongly compressible and strong pressure dependence of the lattice modes proves that the main changes under pressure occur within the layers built from BaO{sub 6} and HfO{sub 6} octahedra. The second phase transition leads most likely to lowering of the trigonal symmetry, as evidenced by significant increase of the number of observed bands. The pressure coefficients of the Raman bands of the high-pressure phase are relatively small, suggesting more dense arrangement of the metal–oxygen polyhedra and BO{sub 3} groups in this phase. It is worth noting that the high-pressure phase was not reached in the second compression experiment up to 10 GPa. This behavior can be most likely attributed to worse hydrostatic conditions of the first experiment. - Graphical abstract: Raman spectra of BaHf(BO{sub 3}){sub 2} recorded at different pressures during compression showing onset of pressure-induced phase transitions. - Highlights: • High-pressure Raman spectra were measured for BaHf(BO{sub 3}){sub 2.} • BaHf(BO{sub 3}){sub 2} undergoes a reversible first-order phase transition at 3.9–4.4 GPa into a trigonal phase. • The intermediate trigonal phase is strongly compressible second structural transformation is observed at 9.2 GPa under non-perfect hydrostatic conditions.

  7. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) with Th{sub 7}Fe{sub 3}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Misse, Patrick R.N.; Mbarki, Mohammed [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany)

    2012-08-15

    Powder samples and single crystals of the new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3}mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. - Graphical abstract: The new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) has been synthesized by arc melting the elements under purified argon atmosphere. Beside the 3d/4d site preference within the whole solid solution, an unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. Highlights: Black-Right-Pointing-Pointer Synthesis of a new boride series fulfilling Vegard Acute-Accent s rule. Black-Right-Pointing-Pointer 3d/4d site preference. Black-Right-Pointing-Pointer Unexpected Ru/Rh site preference. Black-Right-Pointing-Pointer Rh-rich region is Pauli paramagnetic. Black-Right-Pointing-Pointer Ru-rich region is Pauli and temperature-dependent paramagnetic.

  8. Structural and spectroscopic studies of Ba{sub 2}Y{sub 1−δ}UO{sub 6+x}

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, Emily; Kennedy, Brendan J. [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Avdeev, Maxim; Thorogood, Gordon J.; Zhang, Zhaoming [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); Brand, Helen E.A. [Australian Synchrotron, 800 Blackburn Rd, Clayton, Victoria 3168 (Australia)

    2016-11-15

    A combination of S-XRD and NPD demonstrate the structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} to be monoclinic in space group I2/m. That the U is hexavalent is evident from the U L{sub 2}-edge XANES measurements. This appears to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects, which combine to stabilise hexavalent U and appears to be a consequence of the preparation of the sample in air. The Y vacancies, coupled with anion disorder, results in a distortion of the BO{sub 6} octahedra. - Graphical abstract: The structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} is shown to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects. - Highlights: • Structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} refined. • U L-edge XANES demonstrates the U is hexavalent. • Rare example of a perovskite containing vacancies at the octahedral B-site. • Y vacancies result in a distortion of the BO{sub 6} octahedra.

  9. Prevalence and risk factors of intestinal parasitism among two indigenous sub-ethnic groups in Peninsular Malaysia.

    Science.gov (United States)

    Chin, Yuee Teng; Lim, Yvonne Ai Lian; Chong, Chun Wie; Teh, Cindy Shuan Ju; Yap, Ivan Kok Seng; Lee, Soo Ching; Tee, Mian Zi; Siow, Vinnie Wei Yin; Chua, Kek Heng

    2016-07-18

    Intestinal parasitic infections (IPIs) among indigenous people have been widely documented in Malaysia, however, the prevalence of these infections remains high. In the past, most studies have focused on specific species of parasites but polyparasitism has received limited attention. In addition, epidemiology studies on indigenous people tend to consider them as a homogenous group, whereas in reality different sub-ethnic groups have different cultural and living practices. Variations in living habits such as personal hygiene practices may predispose different groups to different parasitic infections. To better understand prevalence and risk factors of intestinal parasitism among different sub-ethnic groups, the present study was conducted among two sub-ethnic groups of indigenous people (Temuan and Mah Meri) residing in Selangor state, Malaysia. A cross-sectional study that focused on two distinct sub-ethnic groups was carried out from February to September 2014. Faecal samples were collected from 186 participants and examined using the formalin-ether sedimentation technique. A molecular approach was adopted to conduct a genetic characterisation of the parasites. Additionally, questionnaires were administered to obtain information on the demographics, socio-economic backgrounds and behavioural risks relating to the participants, as well as information about their environments. Statistical analyses (i.e. binary and multivariate logistic regression analyses) were performed to measure risk factors. For Temuan communities, trichuriasis (64.2 %) was the most common infection found, preceding hookworm infection (34 %), ascariasis (7.5 %), giardiasis (14.2 %) and amoebiasis (7.5 %). As for the Mah Meri communities, trichuriasis (77.5 %) prevailed over ascariasis (21.3 %), hookworm (15 %), giardiasis (7.5 %) and amoebiasis (3.8 %). Significant differences in proportions of trichuriasis, ascariasis and hookworm infections were observed between the Temuan and Mah

  10. Phase transition and conduction mechanism in Pb{sub 2}Na{sub 0.8}R{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} material (R=rare earth)

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, M. [Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Batouta, BP 1014 Rabat (Morocco); Taibi, M., E-mail: taibiens@yahoo.fr [Laboratoire de Physico-Chimie des Matériaux (LAF 502), Ecole Normale Supérieure, Université Mohammed V-Agdal, BP 5118 Rabat (Morocco); Boukhari, A. [Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Batouta, BP 1014 Rabat (Morocco)

    2013-11-15

    Electrical properties of Pb{sub 2}Na{sub 0.8}Eu{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} tungsten bronze compound were investigated. Ferroelectric phase transition of diffuse type is observed at 395 °C. Conductivity study as a function of temperature (RT-600 °C) and at three different frequencies (10, 100 and 1000 kHz) suggests the existence of dominant ionic conduction. The rise of ac conductivity on increasing temperature supports the NTCR (negative temperature coefficient of resistance) behaviour of the material. The activation energies have been evaluated from ac conductivity using Arrhenius equation and discussed. Different conduction mechanisms were identified. For comparison, the conducting properties of Pb{sub 2}Na{sub 0.8}R{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} (R=Dy, Nd, La) were also investigated. - Graphical abstract: Thermal evolution of lnσ{sub ac} of Pb{sub 2}Na{sub 0.8}Eu{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} at selected frequencies. Display Omitted - Highlights: • We found that TB compounds exhibit a diffuse type of first- order transition. • A negative temperature coefficient of resistance (NTCR) behaviour is observed. • Three conduction mechanisms were identified: n-and/or p-type at low temperatures. • The conduction mechanism in the studied compounds is very complex.

  11. Tailoring surface properties and structure of layered double hydroxides using silanes with different number of functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Qi [Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, Brisbane, Queensland 4001 (Australia); He, Hongping, E-mail: hehp@gig.ac.cn [Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, Brisbane, Queensland 4001 (Australia); Li, Tian [Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of Chinese, Academy of Sciences, Beijing 100039 (China); Frost, Ray L. [Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, Brisbane, Queensland 4001 (Australia); Zhang, Dan; He, Zisen [Key Laboratory of Mineralogy and Metallogeny, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of Chinese, Academy of Sciences, Beijing 100039 (China)

    2014-05-01

    Four silanes, trimethylchlorosilane (TMCS), dimethyldiethoxylsilane (DMDES), 3-aminopropyltriethoxysilane (APTES) and tetraethoxysilane (TEOS), were adopted to graft layered double hydroxides (LDH) via an induced hydrolysis silylation method (IHS). Fourier transform infrared spectra (FTIR) and {sup 29}Si MAS nuclear magnetic resonance spectra ({sup 29}Si MAS NMR) indicated that APTES and TEOS can be grafted onto LDH surfaces via condensation with hydroxyl groups of LDH, while TMCS and DMDES could only be adsorbed on the LDH surface with a small quantity. A combination of X-ray diffraction patterns (XRD) and {sup 29}Si MAS NMR spectra showed that silanes were exclusively present in the external surface and had little influence on the long range order of LDH. The surfactant intercalation experiment indicated that the adsorbed and/or grafted silane could not fix the interlamellar spacing of the LDH. However, they will form crosslink between the particles and affect the further surfactant intercalation in the silylated samples. The replacement of water by ethanol in the tactoids and/or aggregations and the polysiloxane oligomers formed during silylation procedure can dramatically increase the value of BET surface area (S{sub BET}) and total pore volumes (V{sub p}) of the products. - Graphical abstract: The replacement of water by ethanol in the tactoids and aggregations of LDHs, and the polysiloxane oligomers formed during silylation process can dramatically increase the BET surface area (S{sub BET}) and the total pore volume (V{sub p}) of the silylated products. - Highlights: • Silanes with multifunctional groups were grafted onto LDH surface in C{sub 2}H{sub 5}OH medium. • The number of hydrolysable groups in silanes affects the structure of grafted LDH. • Replacement of H{sub 2}O by C{sub 2}H{sub 5}OH in aggregations increases S{sub BET} and V{sub p} of grafted LDH. • Polysiloxane oligomers contribute to the increase of S{sub BET} and V{sub p} of grafted LDH.

  12. “Ni{sub 5}TiO{sub 7}” is Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Nalbandyan, V.B.

    2017-05-15

    It is shown that the compound known as Ni{sub 5}TiO{sub 7} and considered as a promising catalyst and oxidation product of alloys does not exist and its XRD pattern actually corresponds to Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2} - Graphical abstract: XRD pattern of “Ni{sub 5}TiO{sub 7}” (top) is identical to that for Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2} (bottom) based on single-crystal structural data. - Highlights: • Popular catalyst known as Ni{sub 5}TiO{sub 7} is actually Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2}. • B{sub 2}O{sub 3} came from the flux used for crystal growth. • Some authors reporting this phase did not use any boron compounds.

  13. Text and graphics: manipulating nutrition brochures to maximize recall.

    Science.gov (United States)

    Clark, K L; AbuSabha, R; von Eye, A; Achterberg, C

    1999-08-01

    This study examined how altering text and graphics of a nutrition brochure could affect the ability to remember the content of the message. Two theoretical models were used to guide alterations: dual-coding theory and the communications model. Three brochure formats were tested: the original brochure containing abstract text and abstract graphics, a modified brochure with relatively concrete text and abstract graphics, and a relatively concrete text brochure with concrete graphics. Participants (N = 239 women) were divided into four age groups: 20-30, 40-50, 60-70 and over 70 years. Women were randomly assigned into each of the three experimental brochure formats or a control group. Participants completed recalled materials from the assigned brochures (the no treatment control group did not include a brochure) at two different sessions, 30 days apart. Data were content analyzed and results were compared using analysis of covariance to test differences by age and brochure types. Younger women (20-30 and 40-50 years) recalled more information than women over 60 years. More concrete nutrition education print materials enhanced recall of information presented immediately after reading the material; however, this effect was transient and lasted less than 30 days after a one-time reading. The implications of these data for communicating nutrition messages with print materials are discussed.

  14. Solvothermal synthesis, crystal structure, and second-order nonlinear optical properties of a new noncentrosymmetric gallium-organic framework material, [N(C{sub 3}H{sub 7}){sub 4}]{sub 3}Ga{sub 3}[C{sub 6}H{sub 3}(CO{sub 2}){sub 3}]{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Dong Woo; Jo, Vinna [Department of Chemistry, Chung-Ang University, Seoul, 156-756 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, Seoul, 156-756 (Korea, Republic of)

    2012-10-15

    A novel noncentrosymmetric (NCS) gallium-organic framework material, [N(C{sub 3}H{sub 7}){sub 4}]{sub 3}Ga{sub 3}[C{sub 6}H{sub 3}(CO{sub 2}){sub 3}]{sub 4} (CAUMOF-11) has been synthesized by a solvothermal reaction using Ga(NO{sub 3}){sub 3}{center_dot}xH{sub 2}O, 1,3,5-C{sub 6}H{sub 3}(CO{sub 2}H){sub 3}, N(C{sub 3}H{sub 7}){sub 4}Cl, HNO{sub 3}, and HCON(CH{sub 3}){sub 2} at 180 Degree-Sign C. The structure of the reported material has been determined by single-crystal X-ray diffraction. CAUMOF-11 has an anionic three-dimensional framework with aligned four-coordinate GaO{sub 4} tetrahedra and 1,3,5-benzenetricarboxylate groups. Tetrapropylammonim cations reside within the channel and maintain the charge balance. Detailed structural analyses with full characterization including infrared spectroscopy, thermogravimetric analysis, elemental analysis, ion-exchange reactions, topotactic decomposition, and gas adsorption experiments are reported. Powder second-harmonic generating (SHG) measurements on CAUMOF-11, using 1064 nm radiation, exhibit SHG efficiency of 15 times that of {alpha}-SiO{sub 2} and the material is phase-matchable (type-1). - Graphical Abstract: Second-order nonlinear optical measurements on CAUMOF-11 reveal that the material is phase-matchable (type-1) with SHG efficiency of 15 times that of {alpha}-SiO{sub 2}. Highlights: Black-Right-Pointing-Pointer A new NCS Ga-organic framework was solvothermally synthesized. Black-Right-Pointing-Pointer CAUMOF-11 exhibits SHG efficiency of 15 times that of {alpha}-SiO{sub 2}. Black-Right-Pointing-Pointer Thermal decomposition of CAUMOF-11 crystal maintains the original morphology.

  15. Synthesis and characterisation of the n = 2 Ruddlesden–Popper phases Ln{sub 2}Sr(Ba)Fe{sub 2}O{sub 7} (Ln = La, Nd, Eu)

    Energy Technology Data Exchange (ETDEWEB)

    Gurusinghe, Nicola N.M. [School of Chemistry, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Figuera, Juand de la; Marco, José F. [Instituto de Quimica-Fisica “Rocasolano”, CSIC, Serrano 119, 28006 Madrid (Spain); Thomas, Michael F. [Department of Physics, University of Liverpool, Liverpool. L69 3BX (United Kingdom); Berry, Frank J., E-mail: f.j.berry.1@bham.ac.uk [School of Chemistry, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Greaves, Colin [School of Chemistry, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2013-09-01

    Graphical abstract: - Highlights: • Some Ruddlesden–Popper phases have been characterised. • Substitution on the A site influences cationic order. • The magnetic moment redirects with temperature - Abstract: A series of n = 2 Ruddlesden–Popper phases A{sub 2}B{sub 2}O{sub 7} of composition Ln{sub 2}Sr(Ba)Fe{sub 2}O{sub 7} (Ln = La, Nd, Eu) have been prepared. La{sub 2}SrFe{sub 2}O{sub 7} and La{sub 2}BaFe{sub 2}O{sub 7} crystallise in the tetragonal space group I4/mmm. The structures of Eu{sub 2}SrFe{sub 2}O{sub 7} and Nd{sub 2}SrFe{sub 2}O{sub 7} are best described in space group P4{sub 2}/mnm. Substitution on the A site with smaller lanthanide- and larger alkaline metal- ions leads to enhanced cationic order in these phases and reflects increasing differences in cationic radii. All the compounds are antiferromagnetically ordered between 298 and 2 K. In La{sub 2}SrFe{sub 2}O{sub 7} the magnetic moment lies along [1 1 0] at all temperatures between 298 and 2 K whereas in La{sub 2}BaFe{sub 2}O{sub 7} the magnetic moment at 298 K lies along the crystallographic x-axis but redirects from the [1 0 0] to the [1 1 0] direction between 210 and 190 K and is retained in this direction until 2 K. In Nd{sub 2}SrFe{sub 2}O{sub 7} the magnetic moment at 298 K lies along [1 1 0] but rotates from [1 1 0] to [0 0 1] between 17 and 9 K. A series of {sup 57}Fe Mössbauer spectra recorded from La{sub 2}SrFe{sub 2}O{sub 7} between 290 and 600 K indicate a magnetic ordering temperature of T{sub N} ≥ 535 K.

  16. Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}: Two stannide intermetallics with low-dimensional iron sublattices

    Energy Technology Data Exchange (ETDEWEB)

    Calta, Nicholas P. [Department of Chemistry, Northwestern University (United States); Kanatzidis, Mercouri G., E-mail: m-kanatzidis@northwestern.edu [Department of Chemistry, Northwestern University (United States); Materials Science Division, Argonne National Laboratory (United States)

    2016-04-15

    This article reports two new Hf-rich intermetallics synthesized using Sn flux: Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}. Hf{sub 3}Fe{sub 4}Sn{sub 4} adopts an ordered variant the Hf{sub 3}Cu{sub 8} structure type in orthorhombic space group Pnma with unit cell edges of a=8.1143(5) Å, b=8.8466(5) Å, and c=10.6069(6) Å. Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}, on the other hand, adopts a new structure type in Cmc2{sub 1} with unit cell edges of a=5.6458(3) Å, b=35.796(2) Å, and c=8.88725(9) Å for x=0. It exhibits a small amount of phase width in which Sn substitutes on one of the Fe sites. Both structures are fully three-dimensional and are characterized by pseudo one- and two-dimensional networks of Fe–Fe homoatomic bonding. Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} exhibits antiferromagnetic order at T{sub N}=46(2) K and its electrical transport behavior indicates that it is a normal metal with phonon-dictated resistivity. Hf{sub 3}Fe{sub 4}Sn{sub 4} is also an antiferromagnet with a rather high ordering temperature of T{sub N}=373(5) K. Single crystal resistivity measurements indicate that Hf{sub 3}Fe{sub 4}Sn{sub 4} behaves as a Fermi liquid at low temperatures, indicating strong electron correlation. - Graphical abstract: Slightly different growth conditions in Sn flux produce two new intermetallic compounds: Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}. - Highlights: • Single crystals of both Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} were grown using Sn flux. • The crystal structures were determined using single crystal X-ray diffraction. • The Fe moments in Hf{sub 3}Fe{sub 4}Sn{sub 4} display AFM order below T{sub N}=373 K. • The Fe moments in Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} display AFM order below T{sub N}=46 K.

  17. Synthesis and magnetic structure of the layered manganese oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Blandy, Jack N. [Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR (United Kingdom); Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Boskovic, Jelena C. [Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR (United Kingdom); Clarke, Simon J., E-mail: simon.clarke@chem.ox.ac.uk [Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR (United Kingdom)

    2017-01-15

    The synthesis of a high-purity sample of the layered oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} is reported. At ambient temperature it crystallises in the space group I4/mmm with two formula units in the unit cell and lattice parameters a=4.08771(1) Å, c=19.13087(8) Å. The compound displays mixed-valent manganese in a formal oxidation state close to +2.5 and powder neutron diffraction measurements reveal that below the Néel temperature of 63(1) K this results in an antiferromagnetic structure which may be described as A-type, modelled in the magnetic space group P{sub I}4/mnc (128.410 in the Belov, Neronova and Smirnova (BNS) scheme) in which localised Mn moments of 3.99(2) μ{sub B} are arranged in ferromagnetic layers which are coupled antiferromagnetically. In contrast to the isostructural compound Sr{sub 2}MnO{sub 2}Cu{sub 1.5}S{sub 2}, Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} does not display long range ordering of coinage metal ions and vacancies, nor may significant amounts of the coinage metal readily be deintercalated using soft chemical methods. - Graphical abstract: Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} containing mixed valent Mn ions undergoes magnetic ordering with ferromagnetic coupling within MnO{sub 2} sheets and antiferromagnetic coupling between MnO{sub 2} sheets. - Highlights: • High purity sample of Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} obtained. • Magnetic structure determined. • Compared with related mixed-valent manganite oxide chalcogenides.

  18. Centrosymmetric [N(CH{sub 3}){sub 4}]{sub 2}TiF{sub 6} vs. noncentrosymmetric polar [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6}: A hydrogen-bonding effect on the out-of-center distortion of TiF{sub 6} octahedra

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Eun-ah [Department of Chemistry Education, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Lee, Dong Woo [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of)

    2012-11-15

    The syntheses, structures, and characterization of organically templated zero-dimensional titanium fluoride materials, A{sub 2}TiF{sub 6} (A=[N(CH{sub 3}){sub 4}] or [C(NH{sub 2}){sub 3}]), are reported. Phase pure samples of A{sub 2}TiF{sub 6} were synthesized by either solvothermal reaction method or a simple mixing method. While [N(CH{sub 3}){sub 4}]{sub 2}TiF{sub 6} crystallizes in a centrosymmetric space group, R-3, [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} crystallizes in a noncentrosymmetric polar space group, Cm. The asymmetric out-of-center distortion of TiF{sub 6} octahedra in polar [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} are attributable to the hydrogen-bonding interactions between the fluorine atoms in TiF{sub 6} octahedra and the nitrogen atoms in the [C(NH{sub 2}){sub 3}]{sup +} cation. Powder second-harmonic generation (SHG) measurements on the [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6}, using 1064 nm radiation, indicate the material has SHG efficiency of 25 Multiplication-Sign that of {alpha}-SiO{sub 2}, which indicates an average nonlinear optical susceptibility, Left-Pointing-Angle-Bracket d{sub eff} Right-Pointing-Angle-Bracket {sub exp} of 2.8 pm/V. Additional SHG measurements reveal that the material is not phase-matchable (Type 1). The magnitudes of out-of-center distortions and dipole moment calculations for TiF{sub 6} octahedra will be also reported. - Graphical abstract: The out-of-center distortion of TiF{sub 6} octahedron in the polar noncentrosymmetric [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} is attributable to the hydrogen-bonding interactions between the F in TiF{sub 6} octahedron and the H-N in the [C(NH{sub 2}){sub 3}]{sup +}. Highlights: Black-Right-Pointing-Pointer Two titanium fluorides materials have been synthesized in high yields. Black-Right-Pointing-Pointer Hydrogen-bonds are crucial for the out-of-center distortion of TiF{sub 6} octahedra. Black-Right-Pointing-Pointer [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} has a SHG efficiency of 25

  19. Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO{sub 5}(OH), Cd{sub 2}V{sub 2}Te{sub 2}O{sub 11}, Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O and Ba{sub 2}VSe{sub 3}O{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Konatham, Satish; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

    2017-05-15

    Four new quaternary vanado-tellurites and vanadyl-selenites, namely, SrVTeO{sub 5}(OH)(1), Cd{sub 2}V{sub 2}Te{sub 2}O{sub 11}(2), Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O(3) and Ba{sub 2}VSe{sub 3}O{sub 10}(4) have been synthesized and structurally characterized by single crystal X-ray diffraction. The oxidation state of vanadium is +5 in tellurites 1 and 2 and +4 in selenites 3 and 4. The structures of SrVTeO{sub 5}(OH)(1) and Cd{sub 2}V{sub 2}Te{sub 2}O{sub 11}(2) compounds consist of (VTeO{sub 5}(OH)){sup 2-} and (V{sub 2}Te{sub 2}O{sub 11}){sup 4-}anionic chains respectively, which are built from tetrahedral VO{sub 4} and disphenoidal TeO{sub 4} moieties. Similarly the structures of Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O(3) and Ba{sub 2}VSe{sub 3}O{sub 10}(4) respectively contain (VSe{sub 2}O{sub 7}){sup 2-} and (VSe{sub 3}O{sub 10}){sup 4-} anionic chains, which are made up of octahedral VO{sub 6} and pyramidal SeO{sub 3} units. Compounds 1 and 3 have been characterized by thermogravimetric and infrared spectroscopic methods. Compounds 1 and 2 are wide band gap semiconductors. - Graphical abstract: Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O and Ba{sub 2}VSe{sub 3}O{sub 10} compounds contain (VSe{sub 2}O{sub 7}){sup 2-} and (VSe{sub 3}O{sub 10}){sup 4-} chains. - Highlights: • Four new vanado-tellurites and vanadyl-selenites are synthesized. • Their structural features are different. • The vanado-tellurites are wide band gap semiconductors.

  20. Symmetric group: Algebraic formulas for some S/sub f/ 6j symbols and S/sub f/containsS/sub f/1 x S/sub f/2 3jm symbols

    International Nuclear Information System (INIS)

    Haase, R.W.; Dirl, R.

    1986-01-01

    Explicit rank-dependent expressions have been obtained for some symmetric group (S/sub f/) 6j symbols and some S/sub f/containsS/sub f/ 1 x S/sub f/ 2 3jm symbols using Butler's recursion method. A key point in deriving these results is the use of the reduced notation introduced by Murnaghan to label irreps. Various symmetries of the 6j and 3jm symbols have been imposed. These include the complex conjugation, permutation, and transpose conjugation. We incorporate a new symmetry that arises from the occurrence of the two isomorphic direct product groups S/sub f/ 1 x S/sub f/ 2 and S/sub f/ 2 x S/sub f/ 1 as subgroups of S/sub f/. In relation to the tables of 6j and 3jm symbols presented, a discussion is given of the symmetric group-unitary group duality

  1. Microstructure, crystal structure and electrical properties of Cu{sub 0.1}Ni{sub 0.8}Co{sub 0.2}Mn{sub 1.9}O{sub 4} ceramics obtained at different sintering conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bodak, O.; Akselrud, L.; Demchenko, P.; Kotur, B.; Mrooz, O.; Hadzaman, I.; Shpotyuk, O.; Aldinger, F.; Seifert, H.; Volkov, S.; Pekhnyo, V

    2002-12-16

    Details of the formation of Cu{sub 0.1}Ni{sub 0.8}Co{sub 0.2}Mn{sub 1.9}O{sub 4} ceramics under different sintering conditions have been studied by optical microscopy, scanning electron microscopy (SEM), electron probe and energy dispersive spectroscopy (EDX) microanalyses, X-ray diffraction (XRD) and electrical resistivity measurements. Microstructure studies of samples sintered at 1170 deg. C for 1 h indicated the presence of a secondary phase besides the main spinel phase with modified composition. XRD measurements showed that the spinel phase exhibits a tetragonally distorted spinel structure (space group I4{sub 1}/amd, a=5.9410(5) A, c=8.4196(15) A). The secondary phase (solid solution based on NiO) crystallizes with the NaCl-type structure (space group Fm3-bar m, a=4.1872(3) A). The content of the secondary phase in ceramics is 10.61 mass%. For NiMn{sub 2}O{sub 4} ceramics, prepared under the same sintering conditions, the decomposition with Ni{sub 1-x}Mn{sub x}O solid solution (NaCl-type structure) and spinel phase formation have been observed. The tetragonal modification of the spinel phase for NiMn{sub 2}O{sub 4} ceramics is more preferable (space group I4{sub 1}/amd, a=5.9764(5) A, c=8.4201(8) A). The distribution of atoms in the structure has been proposed for both ceramics. According to XRD results the Cu{sub 0.1}Ni{sub 0.8}Co{sub 0.2}Mn{sub 1.9}O{sub 4} ceramic samples, sintered at 920 deg. C for 8 h (program 1), at 920 deg. C for 8 h and at 750 deg. C for 24 h (program 2), at 920 deg. C for 8 h, at 1200 deg. C for 1 h and at 920 deg. C for 24 h (program 3) and at 920 deg. C for 8 h, at 1200 deg. C for 1 h, at 920 deg. C for 24 h and at 750 deg. C for 48 h (program 4), contain a single phase with the cubic spinel structure (space group Fd3-bar m). Small residuals of the secondary phase for the ceramics, prepared via programs 3 and 4, have been observed by SEM investigations. The structure transformations of the spinel phase for Cu{sub 0.1}Ni{sub 0.8}Co{sub

  2. Comparing magnetostructural transitions in Ni{sub 50}Mn{sub 18.75}Cu{sub 6.25}Ga{sub 25} and Ni{sub 49.80}Mn{sub 34.66}In{sub 15.54} Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Dubenko, Igor [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Granovsky, Alexander [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Lahderanta, Erkki [Lappeenranta University of Technology, 53851 (Finland); Kashirin, Maxim; Makagonov, Vladimir [Voronezh State Technical University, Voronezh 394026 (Russian Federation); Aryal, Anil; Quetz, Abdiel; Pandey, Sudip [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Rodionov, Igor [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Samanta, Tapas; Stadler, Shane [Department of Physics & Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Mazumdar, Dipanjan, E-mail: dmazumdar@siu.edu [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Ali, Naushad [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States)

    2016-03-01

    The crystal structure, magnetic and transport properties, including resistivity and thermopower, of Ni{sub 50}Mn{sub 18.75}Cu{sub 6.25}Ga{sub 25} and Ni{sub 49.80}Mn{sub 34.66}In{sub 15.54} Heusler alloys were studied in the (10–400) K temperature interval. We show that their physical properties are remarkably different, thereby pointing to different origin of their magnetostructural transition (MST). A Seebeck coefficient (S) was found to pass minimum of about −20 µV/K in respect of temperature for both compounds. It was shown that MST observed for both compounds results in jump-like changes in S for Ga-based compound and jump in resistivity of about 20 and 200 µΩ cm for Ga and In –based compounds, respectively. The combined analyzes of the present results with that from literature show that the density of states at the Fermi level does not change strongly at the MST in the case of Ni–Mn–In alloys as compared to that of Ni–Mn–Ga. - Graphical abstract: Temperature dependencies of resistivity for Ni{sub 50}Mn{sub 18.75}Cu{sub 6.25}Ga{sub 25} and Ni{sub 49.80}Mn{sub 34.66}In{sub 15.54} obtained on heating (open symbols) and cooling (closed symbols). Arrows indicate the temperature of direct (T{sub M}) and inverse (T{sub A}) martensitic transitions and ferromagnetic ordering of the austenitic (T{sub C}) and martensitic (T{sub CM}) phases. The T{sub CM}=T{sub A}/T{sub M} in the case of Ga-based alloy. - Highlights: • Magnetostructural transitions (MST) in two compounds with same parent material. • The figure exemplifies how sensitive MST properties are to the density of states. • Proper understanding is required for utilizing these multifunctional materials.

  3. Comparison of rheological, mechanical, electrical properties of HDPE filled with BaTiO{sub 3} with different polar surface tension

    Energy Technology Data Exchange (ETDEWEB)

    Su, Jun [Department of Polymer Science and Engineering, College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); College of Mechanics Engineering, Nanjing Institute of Industry Technology, Nanjing, 210023 (China); Zhang, Jun, E-mail: zhangjun@njtech.edu.cn [Department of Polymer Science and Engineering, College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China)

    2016-12-01

    Graphical abstract: - Highlights: • The non-polar and short vinyl groups can greatly reduce G′ of HDPE composites. • Long chains on BaTiO{sub 3} surface enhance the interaction of BaTiO{sub 3} with HDPE. • Polar amino groups on BaTiO{sub 3} surface raise the interaction of BaTiO{sub 3} with HDPE. • Polar amino groups can boost the dielectric constant of HDPE composites. • The potential use in electronic equipment of the KH550 composites is obtained. - Abstract: In this work, three types of coupling agents: isopropyl trioleic titanate (NDZ105), vinyltriethoxysilane (SG-Si151), 3-aminopropyltriethoxysilane (KH550) were applied to modify the surface tension of Barium titanate (BaTiO{sub 3}) particles. The Fourier transform infrared (FT-IR) spectra confirm the chemical adherence of coupling agents to the particle surface. The long hydrocarbon chains in NDZ105 can cover the particle surface and reduce the polar surface tension of BaTiO{sub 3} from 37.53 mJ/m{sup 2} to 7.51 mJ/m{sup 2}, turning it from hydrophilic to oleophilic properties. The short and non-polar vinyl groups in SG-Si151 does not influence the surface tension of BaTiO{sub 3}, but make BaTiO{sub 3} have both hydrophilic and oleophilic properties. The polar amino in KH550 can keep BaTiO{sub 3} still with hydrophilic properties. It is found that SG-Si151 modified BaTiO{sub 3} has the lowest interaction with HDPE matrix, lowering the storage modulus of HDPE composites to the greatest extent. As for mechanical properties, the polar amino groups in KH550 on BaTiO{sub 3} surface can improve the adhesion of BaTiO{sub 3} with HDPE matrix, which increases the elongation at break of HDPE composites to the greatest extent. In terms of electrical properties, the polar amino groups on surface of BaTiO{sub 3} can boost the dielectric properties of HDPE/BaTiO{sub 3} composites and decrease the volume resistivity of HDPE/BaTiO{sub 3} composites. The aim of this study is to investigate how functional groups

  4. Highly selective adsorption of organic dyes containing sulphonic groups using Cu{sub 2}(OH){sub 3}NO{sub 3} nanosheets

    Energy Technology Data Exchange (ETDEWEB)

    Jia, Jincan; Wang, Honghong; Niu, Helin, E-mail: niuhelin@ahu.edu.cn; Chen, Jingshuai; Song, Jiming; Mao, Changjie; Zhang, Shengyi [Anhui University, College of Chemistry and Chemical Engineering (China); Gao, Yuanhao [Xuchang University, Institute of Surface Micro and Nano Materials (China); Chen, Changle [University of Science and Technology of China, CAS Key Laboratory of Soft Matter Chemistry (China)

    2016-09-15

    In this study, we report a facile approach to synthesize Cu{sub 2}(OH){sub 3}NO{sub 3} nanosheets via simply sonochemical method, which showed high efficiency and selectivity towards the adsorption of organic dyes containing sulphonic groups. The structure and morphology of the nanosheets were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, N{sub 2} adsorption–desorption isotherms, particle size and zeta potential analysis. The adsorption results indicated that the equilibrium data coincide very well with Langmuir isotherm, and the maximum adsorption capacities for Congo red, methyl blue and methyl orange were 1864, 1270 and 959 mg g{sup −1}, respectively. The kinetic data can be explained by pseudo-second-order model. The Cu{sub 2}(OH){sub 3}NO{sub 3} nanosheets also demonstrated high selectivity towards the adsorption of dyes containing sulphonic groups from mixed dye solutions. The rational mechanism of adsorption was attributed to hydrogen bonding, electrostatic attractions and ion exchanges between the dye molecules and Cu{sub 2}(OH){sub 3}NO{sub 3} in the adsorption process.

  5. Perception and multimeaning analysis of graphic symbols for Thai picture-based communication system.

    Science.gov (United States)

    Chompoobutr, Sarinya; Potibal, Puttachart; Boriboon, Monthika; Phantachat, Wantanee

    2013-03-01

    Graphic symbols are a vital part of most augmentative and alternative communication systems. Communication fluency of graphic symbol user depends on how well the relationship between symbols and its referents are learnt. The first aim of this study is to survey the perception of the selected graphic symbols across seven age groups of participants with different educational background. Sixty-five individuals identified themselves as Thai and ranged in age from 10 to 50 years participated in the investigation used 64 graphic symbols. The last aim of this study is to demonstrate the analysis of multimeaning graphic symbols, which will be used in Thai Picture-based communication system. The twenty graphic symbols with 9-14 meanings are analyzed in both syntactic and semantic aspects. The meanings are divided into five categories: noun, verb/adjective, size, color and shape. Respect to the first aim, the results suggest that the participants under investigation with different sexes, age groups, as well as various educational levels perceive the features or inherent characteristics of such graphic symbols similarly. The results of the analysis of multimeaning of graphic symbols indicate that the foundation of Minspeak, polysemy and redundancy of the words illustrates the inherit meanings of the real-life objects, and it also conveys that the Thai graphic symbols are influenced by numerous factors in Thai circumstance such as ability, motivation, experience, worldview and culture.

  6. "Boldness" in the domestic dog differs among breeds and breed groups.

    Science.gov (United States)

    Starling, Melissa J; Branson, Nicholas; Thomson, Peter C; McGreevy, Paul D

    2013-07-01

    "Boldness" in dogs is believed to be one end of the shy-bold axis, representing a super-trait. Several personality traits fall under the influence of this super-trait. Previous studies on boldness in dogs have found differences among breeds, but grouping breeds on the basis of behavioural similarities has been elusive. This study investigated differences in the expression of boldness among dog breeds, kennel club breed groups, and sub-groups of kennel club breed groups by way of a survey on dog personality circulated among Australian dog-training clubs and internet forums and lists. Breed had a significant effect on boldness (F=1.63, numDF=111, denDF=272, ppurpose. Retrievers were significantly bolder than flushing and pointing breeds (Reg. Coef.=2.148; S.E.=0.593; pdogs. Differences in boldness among groups and sub-groups suggest that behavioural tendencies may be influenced by historical purpose regardless of whether that purpose still factors in selective breeding. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. Structural, magnetic and magnetocaloric properties of La{sub 0.8}Ca{sub 0.2−x}Na{sub x}MnO{sub 3} manganites (0≤x≤0.2)

    Energy Technology Data Exchange (ETDEWEB)

    Choura Maatar, S. [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Sfax University, B.P. 1171, 3000 Sfax (Tunisia); M’nassri, R. [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Sfax University, B.P. 1171, 3000 Sfax (Tunisia); Institut NEEL, CNRS, B.P.166, 38042 Grenoble Cedex 9 (France); Cheikhrouhou Koubaa, W., E-mail: wissem.koubaa@yahoo.fr [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Sfax University, B.P. 1171, 3000 Sfax (Tunisia); Koubaa, M. [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Sfax University, B.P. 1171, 3000 Sfax (Tunisia); Cheikhrouhou, A. [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Sfax University, B.P. 1171, 3000 Sfax (Tunisia); Centre de Recherche en Informatique, Multimédia et Traitement Numérique des Données, Technopole de Sfax, Cité El Ons, Route de Tunis, Km 9, Sfax. B.P. 275, Sakiet Ezzit, 3021 Sfax (Tunisia)

    2015-05-15

    In this work, we report the effect of Na doping on the structural, magnetic and magnetocaloric properties in La{sub 0.8}Ca{sub 0.2−x}Na{sub x}MnO{sub 3} powder samples. Our polycristalline samples have been synthesized using the solid-state reaction method at high temperatures. The parent compound La{sub 0.8}Ca{sub 0.2}MnO{sub 3} crystallizes in the orthorhombic system with Pbnm space group. Na doping induces a structural transition from orthorhombic (Pbnm space group) to rhombohedral (R-3C space group) symmetry. Magnetization measurements versus temperature in a magnetic applied field of 50 mT showed that all our investigated samples display a paramagnetic-ferromagnetic transition with decreasing temperature. The Curie temperature T{sub C} increases with Na content from 240 K for x=0 to 330 K for x=0.2. A large magnetocaloric effect has been observed in all samples, the maximum entropy change, |∆S{sub M}|{sub max}, shifts to smaller values with increasing Na content, from4.56 J/kg K (x=0.05) to 2.3 J/kg K (x=0.2) under a magnetic field change ∆µ{sub 0}H of 2 T. For the same applied magnetic field of 2 T, the Relative Cooling Power (RCP) values are found to be constant around 91 J/kg. - Graphical abstract: Sodium doping induces an increase of T{sub C} from 240 K for x=0 to 330 K for x=0.2. - Highlights: • La{sub 0.8}Ca{sub 0.2−x}Na{sub x}MnO{sub 3} are synthesized using the ceramic method at high temperatures. • Na doping induces a structural transition from Pbnm to R-3C space group. • T{sub C} increases with Na content from 240 K for x=0 to 330 K for x=0.2. • RCP is constant around 91 J/kg for all compounds under 2 T.

  8. The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shiyan [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Du, Xin [Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Lin, Zheshuai [Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences, Beijing 100190 (China); Zhong, Junbo [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Wu, Yuandong, E-mail: wuyuandong2013@outlook.com [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Xu, Jingli [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)

    2016-06-15

    Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe{sub 4} has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe{sub 4} is composed of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4}(M=Si, Ga) tetrahedra. AgGaSiSe{sub 4} is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe{sub 4} and the value is 0.33 eV larger than that of Ag{sub 3}Ga{sub 3}SiSe{sub 8} (2.30 eV). - Graphical abstract: The Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe{sub 4} was synthesized for the first time. AgGaSiSe{sub 4} crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4} (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe{sub 4}. • AgGaSiSe{sub 4} crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe{sub 4} is enlarged compared with Ag{sub 3}Ga{sub 3}SiSe{sub 8}.

  9. The new Zintl phases Eu{sub 21}Cd{sub 4}Sb{sub 18} and Eu{sub 21}Mn{sub 4}Sb{sub 18}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yi; Darone, Gregory M.; Bobev, Svilen, E-mail: bobev@udel.edu

    2016-06-15

    Crystals of two new Zintl compounds, Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} have been synthesized using the molten metal flux method, and their structures have been established by single-crystal X-ray diffraction. Both compounds are isotypic and crystallize in the monoclinic space group C2/m (No. 12, Z=4). The structures are based on edge- and corner-shared MnSb{sub 4} or CdSb{sub 4} tetrahedra, which make octameric [Mn{sub 8}Sb{sub 22}] or [Cd{sub 8}Sb{sub 22}] polyanions. Homoatomic Sb–Sb bonds are present in both structures. The Eu atoms take the role of Eu{sup 2+}cations with seven unpaired 4f electrons, as suggested by the temperature-dependent magnetization measurements. The magnetic susceptibilities of Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} indicate that both phases order anti-ferromagnetically with Néel temperatures of ca. 7 K and ca. 10 K, respectively. The unpaired 3d electrons of the Mn atoms in Eu{sub 21}Mn{sub 4}Sb{sub 18} do contribute to the magnetic response, however, the bulk magnetization measurements do not provide evidence for long-range ordering of the Mn spins down to 5 K. Electrical resistivity measurements suggest that both compounds are narrow band gap semiconductors. - Graphical abstract: Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} have complex monoclinic structures, based on MnSb{sub 4} and CdSb{sub 4} tetrahedra, both edge- and corner-shared. A perspective of the crystal structure is shown, as viewed along the b axis. Display Omitted - Highlights: • Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} are novel compounds in the respective ternary phase diagrams. • For both structures, the Zintl-Klemm rules are followed, and both are small gap semiconductors. • Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} are air-stable Zintl phases and could be new thermoelectric materials.

  10. Objectives and tasks for sub-group B: Plutonium management and recycle

    International Nuclear Information System (INIS)

    1978-01-01

    The paper restates the prime objectives of Working Group 4 and explains that in order to accomplish their objectives two sub-groups (A and B) have been established. The Co-Chairmen suggested that sub group B take as their terms of reference those tasks remitted to them by Working Group 4 as a whole. The paper identifies and comments on 11 tasks into which the work of the sub-group is divided. The paper also includes a number of annexes giving the guidelines for data input to each task

  11. A Prototype Graphical User Interface for Co-op: A Group Decision Support System.

    Science.gov (United States)

    1992-03-01

    achieve their potential to communicate. Information-oriented, systematic graphic design is the use of typography , symbols, color, and other static and...apphcuittin by reducig Uber ellurt anid enhuncizig Iliteracti. ’Iliis thesis designs and de% elupht Itrututylle Graphical User Interface iGUl i fui Cu f...ORGANIZATION.... .. .. ............ II. INTERFACE DESIGN PRINCIPLES. .............. 7 A. GRAPHICAL USER INTERFACES.............7 1. Design Principles

  12. Calcium substitution in rare-earth metal germanides with the hexagonal Mn{sub 5}Si{sub 3} structure type. structural characterization of the extended series RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Rare-earth metal)

    Energy Technology Data Exchange (ETDEWEB)

    Suen, Nian-Tzu; Broda, Matthew; Bobev, Svilen, E-mail: bobev@udel.edu

    2014-09-15

    Reported are the synthesis and the structural characterization of an extended family of rare-earth metal–germanides with a general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu; x<2). All twelve phases are isotypic, crystallizing with the Mn{sub 5}Si{sub 3} structure type (Pearson index hP16, hexagonal space group P6{sub 3}/mcm); they are the Ca-substituted variants of the corresponding RE{sub 5}Ge{sub 3} binaries. Across the series, despite some small variations in the Ca-uptake, the unit cell volumes decrease monotonically, following the lanthanide contraction. Temperature dependent DC magnetization measurements reveal paramagnetic behavior in the high temperature range, and the obtained effective moments are consistent with free-ion RE{sup 3+} ground state, as expected from prior studies of the binary RE{sub 5}Ge{sub 3} phases. The onset of magnetic ordering is observed in the low temperature range, and complex magnetic interactions (ferromagnetic/ferrimagnetic) can be inferred, different from the binary phases RE{sub 5}Ge{sub 3}, which are known as antiferromagnetic. In order to understand the role of Ca in the bonding, the electronic structures of the La{sub 5}Ge{sub 3} and the hypothetical compounds La{sub 2}Ca{sub 3}Ge{sub 3} and La{sub 3}Ca{sub 2}Ge{sub 3} with ordered metal atoms are compared and discussed. - Graphical abstract: The family of rare-earth metal–calcium–germanides with the general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) crystallize in the hexagonal space group P6{sub 3}/mcm (No. 193, Pearson symbol hP16) with a structure that is a variant of the Mn{sub 5}Si{sub 3} structure type. - Highlights: • The newly synthesized RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) constitute an extended family. • The structure is a substitution variant of the hexagonal Mn{sub 5}Si{sub 3} structure type. • Ca-uptake is the highest in the early members, and

  13. Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings

    CERN Document Server

    Bollini, C G; Giambiagi, M

    2001-01-01

    Through the graphical method proposed it is possible to set a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved if they are more than three. For 5-c rings three basic structures are required; the eventually different values are 12. Unlike the 6-c case it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings including heteroatoms the original degeneracy of benzene splits leading eventually to 60 different I sub r sub i sub n sub g values.

  14. Synthesis, crystal structure and properties of a new lead fluoride borate, Pb{sub 3}OBO{sub 3}F

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Wenwu [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Pan, Shilie, E-mail: slpan@ms.xjb.ac.cn [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Dong, Xiaoyu [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Li, Junjie; Tian, Xuelin; Fan, Xiaoyun [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Chen, Zhaohui [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China); Physical and Chemical Detecting Center, Xinjiang University, Urumqi 830046 (China); Zhang, Fangfang [Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China)

    2012-04-15

    Graphical abstract: The structure of Pb{sub 3}OBO{sub 3}F consists of two distortional Pb-centered tetrahedra and BO{sub 3} triangles which are all symmetrical with each other respectively in the gestalt structure to the extent that the Pb{sub 3}OBO{sub 3}F compound crystallizes in the symmetrical space group. Highlights: Black-Right-Pointing-Pointer Pb{sub 3}OBO{sub 3}F has been grown from PbO-PbF{sub 2}-B{sub 2}O{sub 3} system for the first time. Black-Right-Pointing-Pointer It crystallizes in the orthorhombic system, space group Pbcm. Black-Right-Pointing-Pointer Pb{sub 3}OBO{sub 3}F consists of Pb(1)O{sub 3}F tetrahedra, Pb(2)O{sub 4} tetrahedra and BO{sub 3} triangles. -- Abstract: A new compound, Pb{sub 3}OBO{sub 3}F, has been grown by the high temperature solution method from the PbO-PbF{sub 2}-B{sub 2}O{sub 3} system. It crystallizes in the orthorhombic system, space group Pbcm with unit-cell parameters a = 7.6313(14) Angstrom-Sign , b = 6.5229(12) Angstrom-Sign , c = 11.906(2) Angstrom-Sign , Z = 4, volume = 592.66(19) Angstrom-Sign {sup 3}. The structure of the compound is solved by the direct methods and refined to R{sub 1} = 0.0528 and wR{sub 2} = 0.1400. Pb{sub 3}OBO{sub 3}F consists of Pb(1)O{sub 3}F tetrahedra, Pb(2)O{sub 4} tetrahedra and BO{sub 3} triangles which build up the symmetrical chains extended along the c-axis. The powder X-ray diffraction pattern of the Pb{sub 3}OBO{sub 3}F has been measured. Functional groups presented in the sample were identified by Fourier transform infrared spectrum.

  15. Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5}—An extremely redox-stable brownmillerite phase

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Kun; Amano Patino, Midori; Hayward, Michael A., E-mail: michael.hayward@chem.ox.ac.uk

    2015-02-15

    Investigation of the Ca{sub 2}Cr{sub x}Ga{sub 2−x}O{sub 5} compositional series reveals a maximum chromium solubility of 25%. The most chromium rich composition, Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5}, adopts a brownmillerite-type anion deficient perovskite structure described in space group Pnma (a=5.368 Å, b=14.547 Å, c=5.593 Å). Neutron powder diffraction data reveals rigorous B-site cation order, with all of the tetrahedral coordination sites occupied exclusively by gallium and the octahedral coordination sites occupied by gallium or chromium. Annealing studies reveals Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5} is stable in both oxidizing (100% O{sub 2}) and reducing (5% H{sub 2} in N{sub 2}) conditions up to 800 °C, suggesting it could find application as a stable host lattice for fuel cell electrodes or electrolytes with suitable doping to enhance catalytic behaviour and/or anionic conductivity. - Graphical abstract: Ca{sub 2}Cr{sub 0.5}Ga{sub 1.5}O{sub 5}, adopts a brownmillerite-type anion deficient perovskite structure yet it is stable in both oxidizing (100% O{sub 2}) and reducing (5% H{sub 2} in N{sub 2}) conditions up to 800 °C. - Highlights: • Anion deficient oxide stable to both oxidation and reduction up to 800 °C. • Cation-ordered brownmillerite structure determined by powder neutron diffraction. • Low solubility of Cr{sup 3+} in framework due to spherical d{sup 3} electron configuration.

  16. An alkaline tin(II) halide compound Na{sub 3}Sn{sub 2}F{sub 6}Cl: Synthesis, structure, and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Pifu [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Luo, Siyang [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Huang, Qian; Yang, Yi [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiang, Xingxing [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Liang, Fei [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Chen, Chuangtian [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China)

    2017-04-15

    A new alkali tin(II) halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. This compound crystallizes trigonally in space group of R-3c (167), and processes a zero-dimensional (0D) structure consisted of Na{sup +} cations, Cl{sup −} anions and the isolated [SnF{sub 3}]{sup -} trigonal pyramids in which the stereochemically active 5s{sup 2} lone pair electrons are attached to the Sn{sup 2+} cations. Interestingly, the [SnF{sub 3}]{sup −} trigonal pyramids are parallel arranged in the a-b plane, while oppositely arranged in line with rotation along the c- axis. Moreover, the energy bandgap, thermal stability and electronic structure of Na{sub 3}Sn{sub 2}F{sub 6}Cl are characterized and the results reveal that this compound has and indirect bandgap of 3.88 eV and is stable under 270 °C. - Graphical abstract: A zero-dimensional alkaline tin halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. Interestingly, both the anions and cations coordinating polyhedra exhibit order arranged with the [SnF{sub 3}]{sup -} trigonal pyramids rotating along the c- axis.

  17. Synthesis and characterization of new fluoride-containing manganese vanadates A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}VO{sub 4}F

    Energy Technology Data Exchange (ETDEWEB)

    Sanjeewa, Liurukara D. [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States); McGuire, Michael A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Smith Pellizzeri, Tiffany M.; McMillen, Colin D. [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States); Ovidiu Garlea, V. [Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Willett, Daniel; Chumanov, George [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States); Kolis, Joseph W., E-mail: kjoseph@clemson.edu [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States)

    2016-09-15

    Large single crystals of A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}VO{sub 4}F were grown using a high-temperature (~600 °C) hydrothermal technique. Single crystal X-ray diffraction and powder X-ray diffraction were utilized to characterize the structures, which both possess MnO{sub 4}F{sub 2} building blocks. The A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed of zigzag chains of edge-sharing MnO{sub 4}F{sub 2} units running along the a-axis, and interconnected through V{sub 2}O{sub 7} pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn{sup 2+} indicated that Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} is antiferromagnetic with a Neél temperature, T{sub N}=~3 K and a Weiss constant, θ, of −11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V–O vibrational modes in Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}. Mn{sub 2}(VO{sub 4})F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn{sup 2+}. These interpenetrating chains are additionally connected through isolated VO{sub 4} tetrahedra to form the condensed structure. - Graphical abstract: New vanadate fluorides A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}(VO{sub 4})F have been synthesized hydrothermally. Upon cooling, the one-dimensional Mn(II) substructure results in antiferromagnetic

  18. Controlled synthesis of different multilayer architectures of GdBO{sub 3}:Eu{sup 3+} phosphors and shape-dependent luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Leng, Zhihua; Zhang, Nannan; Liu, Yali; Li, Linlin; Gan, Shucai, E-mail: gansc@jlu.edu.cn

    2015-03-01

    Graphical abstract: - Highlights: • Pancake-like/flower-like/leaf-like GdBO{sub 3} were obtained via a hydrothermal method. • Gd(OH){sub 3} nanorods and borates were used as the precursors for the first time. • A dissolution and recrystallization process was happened induced by the excess borax. • Three products have the similar stacked arrangements to reduce the surface energy. • The luminescence properties of GdBO{sub 3}:Eu{sup 3+} are related to shape and crystallinity. - Abstract: Monodisperse pancake-like/flower-like/leaf-like GdBO{sub 3} samples have been successfully synthesized via a designed hydrothermal conversion method using H{sub 3}BO{sub 3}, Na{sub 2}B{sub 4}O{sub 7}·10H{sub 2}O, or NaBO{sub 2}·4H{sub 2}O as boron sources, respectively. It was found that different boron sources have crucial influences on the formation and morphology of the products. The Gd(OH){sub 3} nanorods precursors were prepared through a simple hydrothermal process, which then served as sacrificial templates for the fabrication of GdBO{sub 3} micropancakes/microflowers/microleaves via a hydrothermal conversion process. FT-IR spectra confirm that vaterite-type GdBO{sub 3} can be synthesized by this method. The possible formation mechanisms for different microstructures were put forward on the basis of a series of time-dependent control experiments. The products have similar stacked arrangements driven by the minimization of the interfacial and surface energy of the hydrothermal system. An investigation on the photoluminescence (PL) properties of GdBO{sub 3}:Eu{sup 3+} samples with different morphologies indicates that the PL properties of as-obtained GdBO{sub 3}:Eu{sup 3+} phosphors are strongly dependent on their morphology and crystallinity. The flower-like structure exhibits the strongest red emission.

  19. Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2}){sub x}F (x=1 and 2): New one-dimensional Bi-coordination materials-Reversible hydration and topotactic decomposition to {alpha}-Bi{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Hye Rim [Department of Chemistry Education, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Lee, Dong Woo [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of)

    2012-03-15

    Two one-dimensional bismuth-coordination materials, Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2}){sub x}F (x=1 and 2), have been synthesized by hydrothermal reactions using Bi{sub 2}O{sub 3}, 2,6-NC{sub 5}H{sub 3}(CO{sub 2}H){sub 2}, HF, and water at 180 Degree-Sign C. Structures of the two materials were determined by single-crystal X-ray diffraction. Although they have different crystal structures, both Bi-organic materials shared a common structural motif, a one-dimensional chain structure consisting of Bi{sup 3+} cations and pyridine dicarboxylate linkers. Detailed structural analyses include infrared spectroscopy, thermogravimetric analysis, and reversible hydration reactions for the coordinated water molecules were reported. Also, thermal decomposition of the rod-shaped Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F single crystals at 800 Degree-Sign C led to {alpha}-Bi{sub 2}O{sub 3} that maintained the same morphology of the original crystals. - Graphical abstract: Calcination of the Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F single crystals at 800 Degree-Sign C results in the {alpha}-Bi{sub 2}O{sub 3} rods that maintain the original morphology of the crystals. Highlights: Black-Right-Pointing-Pointer Synthesis of one-dimensional chain Bi-organic frameworks. Black-Right-Pointing-Pointer Reversible hydration reactions of Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F. Black-Right-Pointing-Pointer Topotactic decomposition maintaining the same morphology of the original crystals.

  20. A DFT study of ethanol adsorption and decomposition on α-Al{sub 2}O{sub 3}(0 0 0 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Hsin-Ni; Nachimuthu, Santhanamoorthi, E-mail: santhanamoorthi@gmail.com; Cheng, Ya-Chin; Damayanti, Nur Pradani; Jiang, Jyh-Chiang, E-mail: jcjiang@mail.ntust.edu.tw

    2016-02-15

    Graphical abstract: - Highlights: • Ethanol decomposition has been studied over α-Al{sub 2}O{sub 3}(0 0 0 1) surface. • EDD and DOS results confirm the stable adsorption of ethanol on the surface. • DFT calculations favor ethylene formation via C{sub β}−H bond scission. • The formation of acetaldehyde has higher energy barrier. - Abstract: Ethanol adsorption and decomposition on the clean α-Al{sub 2}O{sub 3}(0 0 0 1) surface have been systematically investigated by density functional theory calculations. The nature of the surface-ethanol bonding has studied through the density of states (DOS) and the electron density difference (EDD) contour plots. The DOS patterns confirm that the lone pair electrons of EtOH are involved in the formation of a surface Al−O dative bond and the EDD plots provide evidences for the bond weakening/forming, which are consistent with the DOS analysis. Our ethanol decomposition results indicate that ethanol dehydration to ethylene (CH{sub 3}CH{sub 2}OH{sub (a)} → C{sub 2}H{sub 4(g)} + OH{sub (a)} + H{sub (a)}), is the main reaction pathway with the energy barrier of 1.46 eV. Although the cleavage of the hydroxyl group of ethanol has lower energy barrier, the further decomposition of ethoxy owns much higher energy barrier.

  1. Molten salt flux synthesis and crystal structure of a new open-framework uranyl phosphate Cs{sub 3}(UO{sub 2}){sub 2}(PO{sub 4})O{sub 2}: Spectroscopic characterization and cationic mobility studies

    Energy Technology Data Exchange (ETDEWEB)

    Yagoubi, S., E-mail: said.yagoubi@cea.fr [LEEL SIS2M UMR 3299 CEA-CNRS-Université Paris-Sud 11, CEA Saclay, F-91191 Gif-Sur-Yvette (France); Renard, C.; Abraham, F. [Unité de Catalyse et de Chimie du Solide, UCCS UMR CNRS 8181, ENSCL-USTL, B.P. 90108, 59652 Villeneuve d’Ascq Cedex (France); Obbade, S. [Laboratoire d’Electrochimie et de Physicochimie des Matériaux et des Interfaces, LEPMI, UMR 5279, CNRS-Grenoble INP-UdS-UJF, 1130 Rue de la Piscine, BP75, 38402 Saint-Martin d’Hères (France)

    2013-04-15

    The reaction of triuranyl diphosphate tetrahydrate precursor (UO{sub 2}){sub 3}(PO{sub 4}){sub 2}(H{sub 2}O){sub 4} with a CsI flux at 750 °C yields a yellow single crystals of new compound Cs{sub 3}(UO{sub 2}){sub 2}(PO{sub 4})O{sub 2}. The crystal structure (monoclinic, space group C2/c, a=13.6261 (13) Å, b=8.1081(8) Å, c=12.3983(12) Å, β=114.61(12)°, V=1245.41(20) Å{sup 3} with Z=4) has been solved using direct methods and Fourier difference techniques. A full-matrix least-squares refinement on the basis of F{sup 2} yielded R1=0.028 and wR2=0.071 for 79 parameters and 1352 independent reflections with I≥2σ(I) collected on a BRUKER AXS diffractometer with MoKα radiation and a charge-coupled device detector. The crystal structure is built by two independent uranium atoms in square bipyramidal coordination, connected by two opposite corners to form infinite chains {sup 1}{sub ∞}[UO{sub 5}] and by one phosphorus atom in a tetrahedral environment PO{sub 4}. The two last entities {sup 1}{sub ∞}[UO{sub 5}] and PO{sub 4} are linked by sharing corners to form a three-dimensional structure presenting different types of channels occupied by Cs{sup +} alkaline cations. Their mobility within the tunnels were studied between 280 and 800 °C and compared with other tunneled uranyl minerals. The infrared spectrum shows a good agreement with the values inferred from the single crystal structure analysis of uranyl phosphate compound. - Graphical abstract: Arrhenius plot of the electrical conductivity of tunneled compounds Cs{sub 3}U{sub 2}PO{sub 10} and CsU{sub 2}Nb{sub 2}O{sub 11.5}. Highlights: ► The reaction of (UO{sub 2}){sub 3}(PO{sub 4}){sub 2}(H{sub 2}O){sub 4} in excess of molten CsI leads to single-crystals of new tunneled compound Cs{sub 3}(UO{sub 2}){sub 2}(PO{sub 4})O{sub 2}. ► Ionic conductivity measurements and crystal structure analysis indicate a strong connection of the Cs{sup +} cations to the tunnels. ► A low symmetry in Cs{sub 3}(UO{sub 2

  2. Synthesis and structural characterization of the Zintl phases Na{sub 3}Ca{sub 3}TrPn{sub 4}, Na{sub 3}Sr{sub 3}TrPn{sub 4}, and Na{sub 3}Eu{sub 3}TrPn{sub 4} (Tr=Al, Ga, In; Pn=P, As, Sb)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yi [Department of Chemistry & Biochemistry, University of Delaware, 304A Drake Hall, Newark, DE 19716 (United States); Suen, Nian-Tzu [Department of Chemistry & Biochemistry, University of Delaware, 304A Drake Hall, Newark, DE 19716 (United States); College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Kunene, Thabiso; Stoyko, Stanislav [Department of Chemistry & Biochemistry, University of Delaware, 304A Drake Hall, Newark, DE 19716 (United States); Bobev, Svilen, E-mail: bobev@udel.edu [Department of Chemistry & Biochemistry, University of Delaware, 304A Drake Hall, Newark, DE 19716 (United States)

    2017-05-15

    15 new quaternary Zintl phases have been synthesized by solid-state reactions from the respective elements, and their structures have been determined by single-crystal X-ray diffraction. Na{sub 3}E{sub 3}TrPn{sub 4} (E=Ca, Sr, Eu; Tr=Al, Ga, In; Pn=P, As, Sb) crystallize in the hexagonal crystal system with the non-centrosymmetric space group P6{sub 3}mc (No. 186). The structure represents a variant of the K{sub 6}HgS{sub 4} structure type (Pearson index hP22) and features [TrPn{sub 4}]{sup 9–} tetrahedral units, surrounded by Na{sup +} and Ca{sup 2+}, Sr{sup 2+}, Eu{sup 2+} cations. The nominal formula rationalization [Na{sup +}]{sub 3}[E{sup 2+}]{sub 3}[TrPn{sub 4}]{sup 9–} follows the octet rule, suggesting closed-shell configurations for all atoms and intrinsic semiconducting behavior. However, structure refinements for several members hint at disorder and mixing of cations that potentially counteract the optimal valence electron count. - Graphical abstract: The hexagonal, non-centrosymmetric structure of Na{sub 3}E{sub 3}TrPn{sub 4} (E=Ca, Sr, Eu; Tr=Al, Ga, In; Pn=P, As, Sb) features [TrPn{sub 4}]{sup 9–} tetrahedral units, surrounded by Na{sup +} and Ca{sup 2+}, Sr{sup 2+}, Eu{sup 2+} cations. - Highlights: • 15 quaternary phosphides, arsenides, and antimonides are synthesized and structurally characterized. • The structure is a variant of the hexagonal K{sub 6}HgS{sub 4}-type, with distinctive pattern for the cations. • Occupational and/or positional disorder of yet unknown origin exists for some members of the series.

  3. Electrochemical behavior of [(Mn(Bpy))(VO{sub 3}){sub 2}]≈(H{sub 2}O){sub 1.24} and [(Mn(Bpy){sub 0.5})(VO{sub 3}){sub 2}]≈(H{sub 2}O){sub 0.62} inorganic–organic Brannerites in lithium and sodium cells

    Energy Technology Data Exchange (ETDEWEB)

    Fernández de Luis, Roberto, E-mail: roberto.fernandez@ehu.es [Departamento de Mineralogía y Petrología, Facultad de Ciencia y Tecnología, Universidad del País Vasco, UPV/EHU, Apdo. 644, E-48080 Bilbao (Spain); Ponrouch, Alexandre, E-mail: aponrouch@icmab.es [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, E-08193, Bellaterra, Catalonia (Spain); Rosa Palacín, M., E-mail: rosa.palacin@icmab.es [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, E-08193, Bellaterra, Catalonia (Spain); Karmele Urtiaga, M., E-mail: karmele.urtiaga@ehu.es [Departamento de Mineralogía y Petrología, Facultad de Ciencia y Tecnología, Universidad del País Vasco, UPV/EHU, Apdo. 644, E-48080 Bilbao (Spain); Arriortua, María I., E-mail: maribel.arriortua@ehu.es [Departamento de Mineralogía y Petrología, Facultad de Ciencia y Tecnología, Universidad del País Vasco, UPV/EHU, Apdo. 644, E-48080 Bilbao (Spain)

    2014-04-01

    The performance of MnV{sub 2}O{sub 6} (MnV) and its [(Mn(Bpy))(VO{sub 3}){sub 2}]≈(H{sub 2}O){sub 1.16} (MnBpy) and [(Mn(Bpy){sub 0.5})(VO{sub 3}){sub 2}]≈(H{sub 2}O){sub 0.62}(MnBpy0.5) hybrid derivative compounds was investigated against sodium and lithium counter electrodes. For MnV{sub 2}O{sub 6} stable capacities of 850 mAh/g were achieved in lithium cells, the best value reported so far. The whole capacity is ascribed to a conversion reaction in which the amorphization of the compounds takes place. No significant differences in the capacities for the inorganic compound and the hybrid ones were observed. Interestingly, the potential hysteresis decreases in the hybrid compounds. The difference between Li and Na cell capacity most probably comes from the difference of standard potential of the two redox couples Li{sup +}/Li and Na{sup +}/Na of about ca. 0.3 V leading to an incomplete conversion reaction and thus lowers capacity in the case of Na cells. The Raman and IR ex-situ experiments after cycling indicate that the bipyridine organic ligands are completely decomposed during the electrochemical testing. The IR studies in MnV inorganic and MnBpy and MnBpy0.5 hybrid electrodes after the electrochemical cycling, suggest that the SEI formation and bipyridine degradation give rise to different aliphatic compounds. - Graphical abstract: The electrochemical performance of [(Mn(Bpy))(VO{sub 3}){sub 2}]≈(H{sub 2}O){sub 1.16} and [(Mn(Bpy){sub 0.5})(VO{sub 3}){sub 2}]≈(H{sub 2}O){sub 0.62} against sodium and lithium counter electrodes give rise to the structural collapse of the initial compounds. The IR and Raman studies show that the Bpy organic ligand is completely decomposed during the during the electrochemical testing. However, after the amorphization stable capacities as high as 850 mAh/g for lithium cells were achieved. - Highlights: • We test the lithium and sodium insertion in hybrid brannerites. • Capacities as large as 850 mAh/g were obtained

  4. Gender differences in depression severity and symptoms across depressive sub-types.

    Science.gov (United States)

    Parker, Gordon; Fletcher, Kathryn; Paterson, Amelia; Anderson, Josephine; Hong, Michael

    2014-01-01

    Lifetime rates of depression are distinctly higher in women reflecting both real and artefactual influences. Most prevalence studies quantifying a female preponderance have examined severity-based diagnostic groups such as major depression or dysthymia. We examined gender differences across three depressive sub-type conditions using four differing measures to determine whether any gender differences emerge more from severity or symptom prevalence, reflect nuances of the particular measure, or whether depressive sub-type is influential. A large clinical sample was recruited. Patients completed two severity-weighted depression measures: the Depression in the Medically Ill 10 (DMI-10) and Quick Inventory of Depressive Symptoms-Self-Report (QIDS-SR) and two measures weighting symptoms and illness correlates of melancholic and non-melancholic depressive disorders - the Severity of Depressive Symptoms (SDS) and Sydney Melancholia Prototype Index (SMPI). Analyses were undertaken of three diagnostic groups comprising those with unipolar melancholic, unipolar non-melancholic and bipolar depressive conditions. Women in the two unipolar groups scored only marginally (and non-significantly) higher than men on the depression severity measures. Women in the bipolar depression group, did however, score significantly higher than men on depression severity. On measures weighted to assessing melancholic and non-melancholic symptoms, there were relatively few gender differences identified in the melancholic and non-melancholic sub-sets, while more gender differences were quantified in the bipolar sub-set. The symptoms most commonly and consistently differentiating by gender were those assessing appetite/weight change and psychomotor disturbance. Our analyses of several measures and the minimal differentiation of depressive symptoms and symptom severity argues against any female preponderance in unipolar depression being contributed to distinctly by these depression rating measures

  5. Bi{sub 1−x}Nb{sub x}O{sub 1.5+x} (x=0.0625, 0.12) fast ion conductors: Structures, stability and oxide ion migration pathways

    Energy Technology Data Exchange (ETDEWEB)

    Tate, Matthew L. [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); Australian Nuclear Science and Technology Organisation, Lucas Heights 2234, NSW (Australia); Hack, Jennifer [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); Institut Laue-Langevin, Grenoble (France); Kuang, Xiaojun [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); McIntyre, Garry J. [Australian Nuclear Science and Technology Organisation, Lucas Heights 2234, NSW (Australia); Withers, Ray L. [Research School of Chemistry, Australian National University, Canberra, ACT (Australia); Johnson, Mark R. [Institut Laue-Langevin, Grenoble (France); Radosavljevic Evans, Ivana, E-mail: ivana.radosavljevic@durham.ac.uk [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); Australian Nuclear Science and Technology Organisation, Lucas Heights 2234, NSW (Australia)

    2015-05-15

    A combined experimental and computational study of Bi{sub 1−x}Nb{sub x}O{sub 1.5+x} (x=0.0625 and 0.12) has been carried out using laboratory X-ray, neutron and electron diffraction, impedance measurements and ab-initio molecular dynamics. We demonstrate that Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625}, previously reported to adopt a cubic fluorite-type superstructure, can form two different polymorphs depending on the synthetic method: a metastable cubic phase is produced by quenching; while slower cooling yields a stable material with a tetragonal √2×√2×1 superstructure, which undergoes a reversible phase transition into the cubic form at ~680 °C on subsequent reheating. Neutron diffraction reveals that the tetragonal superstructure arises mainly from ordering in the oxygen sublattice, with Bi and Nb remaining disordered, although structured diffuse scattering observed in the electron diffraction patterns suggests a degree of short-range ordering. Both materials are oxide ion conductors. On thermal cycling, Bi{sub 0.88}Nb{sub 0.12}O{sub 1.62} exhibits a decrease in conductivity of approximately an order of magnitude due to partial transformation into the tetragonal phase, but still exhibits conductivity comparable to yttria-stabilised zirconia (YSZ). Ab-initio molecular dynamics simulations performed on Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625} show that oxide ion diffusion occurs by O{sup 2−} jumps between edge- and corner-sharing OM{sub 4} groups (M=Bi, Nb) via tetrahedral □M{sub 4} and octahedral □M{sub 6} vacancies. - Graphical abstract: Oxide ion migration in tetragonal Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625} occurs by O{sup 2−} jumps between edge- and corner-sharing OM{sub 4} groups (M=Bi, Nb) via tetrahedral M{sub 4} and octahedral M{sub 6} vacancies. - Highlights: • Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625} adopts a tetragonal √2×√2×1 fluorite superstructure. • Superstructure is due to ordering in the O-sublattice, with Bi

  6. Aspects of visual discursivity in graphic journalism: narrative enunciation and visual witness in Le Photographe

    Directory of Open Access Journals (Sweden)

    Benjamim Picado

    2015-09-01

    Full Text Available The article examines some of the features designating comics as samples of a sub-genre labelled as “graphic journalism”: characterized by bringing together visual and discursive resources of graphic narratives, and exploitation of topic universes associated with historical and social actualities, such materials raise discussions about several defining criteria for journalistic practices, as recognized in its basic elements, resources, institutions and devices. I am interested in observing the characteristics of a partícular work in this context, the album Le Photographe (GUIBERT, LEFÈVRE and LEMERCIER, 2009, with special focus on the enunciative and narrative regimes of visual forms used in this graphic narrative. Preference is here given to methodological approaches discriminating the dialectics between specificity/integration of different media (drawing, photography and graphic composition, constituting a testimonial discursivity of contemporary visual narratives: I concentrate on the narrative schemes of representation of actions and the game-like structure that marks the different discursive positions of narrative enunciation, through the oscillation between drawing and photographic formats.

  7. Graphical Models with R

    DEFF Research Database (Denmark)

    Højsgaard, Søren; Edwards, David; Lauritzen, Steffen

    Graphical models in their modern form have been around since the late 1970s and appear today in many areas of the sciences. Along with the ongoing developments of graphical models, a number of different graphical modeling software programs have been written over the years. In recent years many...... of these software developments have taken place within the R community, either in the form of new packages or by providing an R ingerface to existing software. This book attempts to give the reader a gentle introduction to graphical modeling using R and the main features of some of these packages. In addition......, the book provides examples of how more advanced aspects of graphical modeling can be represented and handled within R. Topics covered in the seven chapters include graphical models for contingency tables, Gaussian and mixed graphical models, Bayesian networks and modeling high dimensional data...

  8. The crystal structure and electrical properties of K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Taguchi, Hideki, E-mail: htaguchi@cc.okayama-u.ac.jp [The Graduate School of Natural Science and Technology (Science), Okayama University, 3-1-1 Tsushima-Naka, Kita-Ku, Okayama 700-8530 (Japan); Kido, Hiroyasu [Osaka Municipal Technical Research Institute, 1-6-50 Morinomiya, Jyoto-Ku, Osaka 536-8553 (Japan); Kato, Masaki; Hirota, Ken [Department of Molecular Chemistry and Biochemistry, Faculty of Science and Engineering, Doshisha University, Kyo-Tanabe 610-0321 (Japan)

    2015-04-15

    Graphical abstract: The relationship between log ρ of K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4} and 1000/T. - Highlights: • K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4} was synthesized using a polymerized complex route. • The semiconductive samples had minimum values of ρ and E{sub a} at x = 0.1. • The log ρ–1/T curve of x = 0.3 consisted of two different lines at 315 K. • The 1/χ − T curve of x = 0.3 had a peak at 325 K. • These results indicated the presence of a charge-ordering transition at x = 0.3. - Abstract: K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4} (0.02 ≤ x ≤ 0.3) was synthesized using a polymerized complex route. The crystal structure changed from tetragonal to orthorhombic at x = 0.3. A variation in the lattice parameters was explained by the Mn–O(2) distance, the Mn−O(2)−Mn angle, and the (Ca,Sm)–(Ca,Sm) distance. The samples were n-type semiconductors, and the minimum values of electrical resistivity (ρ) and an energy gap (E{sub g}) at x = 0.1 were accounted by electron transfer through an Mn−O(2)−Mn path and overlap between the Mnt{sub 2g} and Op{sub π} orbitals. In the sample (x = 0.3), the log ρ–1000/T curve consisted of two different lines that intersected at ca. 325 K, and a peak was observed at ca. 315 K in the magnetic susceptibility–temperature curve. These results indicated the presence of a charge-ordering (CO) transition at 315–325 K.

  9. Printing--Graphic Arts--Graphic Communications

    Science.gov (United States)

    Hauenstein, A. Dean

    1975-01-01

    Recently, "graphic arts" has shifted from printing skills to a conceptual approach of production processes. "Graphic communications" must embrace the total system of communication through graphic media, to serve broad career education purposes; students taught concepts and principles can be flexible and adaptive. The author…

  10. Syntheses, crystal structure, and electronic properties of the five ABaMQ{sub 4} compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Mesbah, Adel [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA / CNRS / UM / ENSCM, Site de Marcoule-Bâtiment 426, BP 17171, 30207 Bagnols-sur-Cèze Cedex (France); Prakash, Jai [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Rocca, Dario; Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique, et Modélisations CRM2 (UMR UHP-CNRS 7036), Faculté des Sciences et Techniques, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy Cedex (France); Beard, Jessica C.; Lewis, Benjamin A. [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States)

    2016-01-15

    Five new compounds belonging to the ABaMQ{sub 4} family were synthesized by solid-state chemistry at 1123 K. The compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} are isostructural and have the TlEuPS{sub 4} structure type. They crystallize in space group D{sup 16}{sub 2h} – Pnma of the orthorhombic system. Their structure consists isolated MQ{sub 4} tetrahedra separated by A and Ba atoms to form a salt-like structure. Density Functional Theory (DFT) calculations of the electronic structures with the use of the HSE functional suggest that the compounds are semiconductors with calculated band gaps of 3.3 eV (RbBaPS{sub 4}), 3.4 eV (CsBaPS{sub 4}), 2.3 eV (CsBaVS{sub 4}), and 1.6 eV (RbBaVSe{sub 4}). - Graphical abstract: General view of the ABaMQ{sub 4} structure down the a axis. - Highlights: • Five new ABaMQ{sub 4} compounds were synthesized by solid-state chemistry at 1123 K. • RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} have the TlEuPS{sub 4} structure type. • The compounds are semiconductors with calculated band gaps ranging from 1.6 to 3.4 eV.

  11. Structural study of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Yuto [Department of Physics, Hokkaido University, Sapporo 060-0810 (Japan); Matsushita, Yoshitaka [National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Oda, Migaku; Yoshida, Hiroyuki [Department of Physics, Hokkaido University, Sapporo 060-0810 (Japan)

    2017-02-15

    Single crystals of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} were synthesized and the crystal structures at 293 K and 113 K were studied using X-ray diffraction experiments. We found a structural phase transition from the room-temperature crystal structure with space group C2/c to a low-temperature structure with space group P2{sub 1}/c, resulting from a rotational displacement of SiO{sub 4} tetrahedra. The temperature dependence of magnetic susceptibility shows a broad maximum around 116 K, suggesting an opening of the Haldane gap expected for one-dimensional antiferromagnets with S=1. However, an antiferromagnetic long-range order was developed below 24 K, probably caused by a weak inter-chain magnetic coupling in the compound. - Graphical abstract: Low temperature crystal structure of LiVSi{sub 2}O{sub 6} and an orbital arrangement within the V-O zig-zag chain along the c-axis. - Highlights: • A low temperature structure of LiVSi{sub 2}O{sub 6} was determined by single crystal X-ray diffraction measurements. • The origin of the structural transition is a rotational displacement of SiO{sub 4} tetrahedra. • The uniform orbital overlap in the V-O zigzag chain makes the system a quasi one-dimensional antiferromagnet.

  12. Synthesis, crystal structure, and physical properties of the Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} phases

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, Scott; Yuan, Fang [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Kosuda, Kosuke; Kolodiazhnyi, Taras [Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada)

    2016-01-15

    The second and third known rare-earth bismuthide oxides, Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8}, have been discovered via high temperature reactions at 1300 °C. Like its Gd–Sb–O counterparts, the Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} phases crystallize in the monoclinic C2/m space group, with the latter containing disordered Bi atoms along the b direction of the unit cell. Unlike the RE{sub 8}Sb{sub 3}O{sub 8} series, the formation of the Gd{sub 3}BiO{sub 3} phase does not necessarily precede the formation of Gd{sub 8}Bi{sub 3}O{sub 8}, which is likely due to the difficulty of accommodating bismuth in the RE–O framework due to its larger size. Physical property measurements performed on a pure Gd{sub 8}Bi{sub 3}O{sub 8} sample reveal semiconducting behavior. Although electronic structure calculations predict metallic behavior due to an unbalanced electron count, the semiconducting behavior originates from the Anderson localization of the Bi p states near the Fermi level as a result of atomic disorder. - Graphical abstract: Reaction of GdBi and Gd{sub 2}O{sub 3} at high temperatures yields Gd–Bi–O phases. - Highlights: • Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8}, the second and third rare-earth bismuthide oxides, have been discovered. • Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} are isostructural with RE{sub 3}SbO{sub 3} and RE{sub 8}Sb{sub 3}O{sub 8}. • Gd{sub 8}Bi{sub 3}O{sub 8} displays semiconducting behavior despite an unbalanced electron count. • Anderson localization of Bi p states results in semiconducting behavior in Gd{sub 8}Bi{sub 3}O{sub 8}.

  13. The effects of 3D interactive animated graphics on student learning and attitudes in computer-based instruction

    Science.gov (United States)

    Moon, Hye Sun

    Visuals are most extensively used as instructional tools in education to present spatially-based information. Recent computer technology allows the generation of 3D animated visuals to extend the presentation in computer-based instruction. Animated visuals in 3D representation not only possess motivational value that promotes positive attitudes toward instruction but also facilitate learning when the subject matter requires dynamic motion and 3D visual cue. In this study, three questions are explored: (1) how 3D graphics affects student learning and attitude, in comparison with 2D graphics; (2) how animated graphics affects student learning and attitude, in comparison with static graphics; and (3) whether the use of 3D graphics, when they are supported by interactive animation, is the most effective visual cues to improve learning and to develop positive attitudes. A total of 145 eighth-grade students participated in a 2 x 2 factorial design study. The subjects were randomly assigned to one of four computer-based instructions: 2D static; 2D animated; 3D static; and 3D animated. The results indicated that: (1) Students in the 3D graphic condition exhibited more positive attitudes toward instruction than those in the 2D graphic condition. No group differences were found between the posttest score of 3D graphic condition and that of 2D graphic condition. However, students in the 3D graphic condition took less time for information retrieval on posttest than those in the 2D graphic condition. (2) Students in the animated graphic condition exhibited slightly more positive attitudes toward instruction than those in the static graphic condition. No group differences were found between the posttest score of animated graphic condition and that of static graphic condition. However, students in the animated graphic condition took less time for information retrieval on posttest than those in the static graphic condition. (3) Students in the 3D animated graphic condition

  14. HT-solution growth and characterisation of In{sub x}Na{sub x}Mn{sub 1-2x}WO{sub 4} (0

    Energy Technology Data Exchange (ETDEWEB)

    Gattermann, U. [Sektion Kristallographie, Department für Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universität München, Theresienst rasse 41, D-80333 Munich (Germany); Park, S.-H., E-mail: sohyun.park@lmu.de [Sektion Kristallographie, Department für Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universität München, Theresienst rasse 41, D-80333 Munich (Germany); Paulmann, C. [Geowissenschaften, Fakultät für Mathematik, Informatik und Naturwissenschaften, Universität Hamburg, Grindelallee 48, D-20146 Hamburg (Germany); Benka, G.; Pfleiderer, C. [Physik-Department, Technische Universität München, James-Franck-Strasse 1, D-85748 Garching (Germany)

    2016-12-15

    A new solid solution system, In{sub x}Na{sub x}Mn{sub 1–2x}WO{sub 4} (0sub 4}-type multiferroics was investigated. Large single crystals were grown up to several mm in length from high-temperature oxide solutions using a solvent mixture of Na{sub 2}WO{sub 4} and Na{sub 2}W{sub 2}O{sub 7}. Quantitative doping degrees were analyzed by means of electron microprobe. Single crystal X-ray diffraction studies agreed with the polar space group P2 for In{sub x}Na{sub x}Mn{sub 1–2x}WO{sub 4}. The complexity of partial (Na{sup +}/Mn{sup 2+})- and (In{sup 3+}/Mn{sup 2+})-ordering makes their atomic sites unique, explaining the dissymmetrization from P2/c down to P2. This is also valid for the InNaW{sub 2}O{sub 8}-type Mn{sub 2y}In{sub 1-y}Na{sub 1-y}W{sub 2}O{sub 8} solid solution found as co-product in this study. Specific heat and magnetisation measurements showed a paramagnetic dilution effect from (In{sup 3+}/Na{sup +})-doping while lowering the transition temperature for the multiferroic phase AF2 of In{sub x}Na{sub x}Mn{sub 1–2x}WO{sub 4} with respect to the prototype MnWO{sub 4}. - Graphical abstract: A volume expansion around Mn2 site by (In, Na)-doping is drawn by the atomic shifts in a Mn2O{sub 6} octahedron in the atomistic structure of In{sub 0.20(2)}Na{sub 0.17(2)}Mn{sub 0.63(4)}WO{sub 4} from the respective atomic positions of In-free MnWO{sub 4}. The size and direction of arrows are scaled up for indicating the consequent local distortion. - Highlights: • HT solution crystal growth of (In, Na):MnWO{sub 4}-solid-solution compounds. • Polar space group symmetry P2 for their atomistic structures. • Magnetic properties of the multiferroic phase AF2 by (In{sup 3+}, Na{sup +})-doping. • Magnetic phase transitions.

  15. Effect of synthesis methods on the Ca{sub 3}Co{sub 4}O{sub 9} thermoelectric ceramic performances

    Energy Technology Data Exchange (ETDEWEB)

    Sotelo, A.; Rasekh, Sh.; Torres, M.A. [Instituto de Ciencia de Materiales de Aragón, CSIC—Universidad de Zaragoza, M" a de Luna, 3, 50018-Zaragoza (Spain); Bosque, P. [Centro Universitario de la Defensa de Zaragoza. Academia General Militar. Ctra. de Huesca s/n. 50090, Zaragoza (Spain); Madre, M.A., E-mail: amadre@unizar.es [Instituto de Ciencia de Materiales de Aragón, CSIC—Universidad de Zaragoza, M" a de Luna, 3, 50018-Zaragoza (Spain); Diez, J.C. [Instituto de Ciencia de Materiales de Aragón, CSIC—Universidad de Zaragoza, M" a de Luna, 3, 50018-Zaragoza (Spain)

    2015-01-15

    Three different synthesis methods producing nanometric grain sizes, coprecipitation with ammonium carbonate, oxalic acid, and by attrition milling have been studied to produce Ca{sub 3}Co{sub 4}O{sub 9} ceramics and compared with the classical solid state route. These three processes have produced high reactive precursors and all the organic material and CaCO{sub 3}·have been decomposed in a single thermal treatment. Coprecipitation leads to pure Ca{sub 3}Co{sub 4}O{sub 9} phase, while attrition milling and classical solid state produce small amounts of Ca{sub 3}Co{sub 2}O{sub 6} secondary phase. Power factor values are similar for all three samples, being slightly lower for the ones produced by attrition milling. These values are much higher than the obtained in samples prepared by the classical solid state method, used as reference. The maximum power factor values determined at 800 °C (∼0.43 mW/K{sup 2} m) are slightly higher than the best reported values obtained in textured ones which also show much higher density values. - Graphical abstract: Impressive raise of PF in Ca{sub 3}Co{sub 4}O{sub 9} thermoelectric materials obtained from nanometric grains. - Highlights: • Ca{sub 3}Co{sub 4}O{sub 9} has been produced by four different methods. • Precursors particle sizes influences on the final performances. • Coprecipitation methods produce single Ca{sub 3}Co{sub 4}O{sub 9} phase. • Power factor reaches values comparable to high density textured materials.

  16. Two actinide-organic frameworks constructed by a tripodal flexible ligand: Occurrence of infinite ((UO{sub 2})O{sub 2}(OH){sub 3}){sub 4n} and hexanuclear (Th{sub 6}O{sub 4}(OH){sub 4}) motifs

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Lingling; Zhang, Ronglan [College of Chemistry and Materials, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of education, Northwest University, Xi’an 710069 (China); Zhao, Jianshe, E-mail: jszhao@nwu.edu.cn [College of Chemistry and Materials, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of education, Northwest University, Xi’an 710069 (China); Liu, Chiyang, E-mail: lcy@nwu.edu.cn [Department of Geology, Northwest University, Xi’an 710069 (China); Weng, Ng Seik [The University of Nottingham Malaysia Campus, 43500 Semenyih, Selangor Darul Ehsan (Malaysia)

    2016-11-15

    Two new actinide metal-organic frameworks were constructed by using a tripodal flexible ligand tris (2-carboxyethyl) isocyanurate (H{sub 3}tci) under hydrothermal condition. The combination of H{sub 3}tci and uranyl nitrate hexahydrate in aqueous solution leads to the isolation of [(UO{sub 2}){sub 2}(H{sub 2}O){sub 4}]{sub 0.5}(tci){sub 2}(UO{sub 2}){sub 4}(OH){sub 4}·18H{sub 2}O (1), which contains two distinct UO{sub 2}{sup 2+} coordination environments. Four uranyl cations, linked through μ{sub 3}-OH respectively, result in the edge-sharing ribbons. Then, the layer structure is constructed by U-O clusters linked through other eight-coordinated uranyl unions, giving rise to a porous structure in the space. Topological analysis reveals that complex 1 belongs to a (4, 8)-connected net with a schläfli symbol of (3{sup 4.}2{sup 6.}3){sub 2}(3{sup 4.}4{sup 6.}5{sup 6.}6{sup 8.}7{sup 3.}8). Th{sub 3}(tci){sub 2}O{sub 2}(OH){sub 2}(H{sub 2}O){sub 3}·12H{sub 2}O (2) generated by the reaction of H{sub 3}tci and thorium nitrate tetrahydrate, possesses nine-fold coodinated Th(IV) centers with a monocapped square antiprismatic geometry. The hexamers “Th{sub 6}O{sub 4}(OH){sub 4}” motifs are connected together by the carboxylate groups, showing a three-dimensional structures. Complex 2 takes on an 8-connected architecture and the point symbol is (4{sup 24.}6{sup 4}). - Graphical abstract: Two new 3D actinide metal-organic frameworks were constructed by using a tripodal flexible ligand tris (2-carboxyethyl) isocyanurate (H3tci) and their topological structures were displayed. The infinite ((UO{sub 2})O{sub 2}(OH){sub 3}){sub 4n} and hexanuclear (Th{sub 6}O{sub 4}(OH){sub 4}) motifs were found in the title actinides networks.

  17. Exploration of R<sub>2sub>XM>2sub> (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd<sub>2sub>AlGe>2sub> and Analysis of the U<sub>3sub>Si>2sub> and Zr<sub>3sub>Al>2 sub>Structure Types

    Energy Technology Data Exchange (ETDEWEB)

    McWhorter, Sean William [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd<sub>5sub>(SixGe>1-xsub>)>4sub> several new compounds were synthesized with different crystal structures, but similar structural features. In Gd<sub>5sub>(SixGe>1-xsub>)>4sub>, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd<sub>5sub>(SixGe>1-xsub>)>4sub> can be thought of as being formed from two 32434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd<sub>2sub>MgGe>2sub> and Gd<sub>2sub>InGe>2sub> both possess the same 32434 nets of Gd atoms as Gd<sub>5sub>(SixGe>1-xsub>)>4sub>, but these nets are connected differently, forming the Mo<sub>2sub>FeB>2sub> crystal structure. A search of the literature revealed that compounds with the composition R<sub>2sub>XM>2sub> (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo<sub>2sub>FeB>2sub>, Zr<sub>3sub>Al>2sub>, Mn<sub>2sub>AlB>2sub> and W<sub>2sub>CoB>2sub> crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd<sub>2sub>AlGe>2sub> forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how

  18. Hydrophilic and mesoporous SiO{sub 2}-TiO{sub 2}-SO{sub 3}H system for fuel cell membrane applications

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Lan-Young [Department of Fine Chemical Engineering and Chemistry, Chungnam National University, 220 Kung-dong, Yuseong-gu, Daejeon 305-764 (Korea, Republic of); Oh, Song-Yul [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Matsuda, Atsunori, E-mail: matsuda@ee.tut.ac.j [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Department of Electrical and Electronic Information Engineering, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Lee, Chang-Soo [Department of Chemical Engineering, Chungnam National University, 220 Kung-dong, Yuseong-gu, Daejeon 305-764 (Korea, Republic of); Kim, Dong-Pyo, E-mail: dpkim@cnu.ac.k [Department of Fine Chemical Engineering and Chemistry, Chungnam National University, 220 Kung-dong, Yuseong-gu, Daejeon 305-764 (Korea, Republic of); Graduate School of Analytical Science and Technology, Chungnam National University, 220 Kung-dong, Yuseong-gu, Daejeon 305-764 (Korea, Republic of)

    2011-03-30

    Graphical abstract: The composite films containing SiO{sub 2}-TiO{sub 2}-SO{sub 3}H resin additives, with strong water retention capabilities, showed superior proton conductivity, even at 120 {sup o}C and 25% RH, as well as a slightly improved current density at 30% RH and 70 {sup o}C, when compared to costly Nafion film. Display Omitted Research highlights: The hydrophilic and mesoporous SiO{sub 2}-TiO{sub 2}-SO{sub 3}H resins have a potential to be used as alternative membrane source materials in PEFCs. The sulfonation for hydrophilicity is conducted via simple chelating chemistry between catecholic groups and surface Ti ions. The proton conductivity of SiO{sub 2}-TiO{sub 2}-SO{sub 3}H composite films is superior to the commercial Nafion film. - Abstract: Hydrophilic and mesoporous sulfonated SiO{sub 2}-TiO{sub 2}-SO{sub 3}H systems as new additives for fuel cell electrolyte membranes are directly synthesized by the binary sol-gel reaction of TEOS-TiCl{sub 4} and consecutive sulfonation with a hydrophilic generator, dihydroxy-m-benzenedisulfonic acid disodium salt. The sulfonation approach makes use of the simple chelating chemistry between the catecholic groups (dihydroxy benzene) and surface Ti ions of the inorganic ordered mesoporous SBA-15 structure. The system is successfully employed in fuel cell membrane applications with a composite Nafion membrane mixed with a mesoporous hydrophilic resin additive, and reveals an obvious enhancement of the proton conductivity at low humidity and elevated temperatures. This improvement was attributed to the excellent water retention capability of the hydrophilic mesoporous resin.

  19. Nb{sub 2}OsB{sub 2}, with a new twofold superstructure of the U{sub 3}Si{sub 2} type: Synthesis, crystal chemistry and chemical bonding

    Energy Technology Data Exchange (ETDEWEB)

    Mbarki, Mohammed; Touzani, Rachid St.; Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de

    2013-07-15

    The new ternary metal-rich boride, Nb{sub 2}OsB{sub 2}, was synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere. The compound was characterized from single-crystal X-ray data and EDX measurements. It crystallizes as a new superstructure (space group P4/mnc, no. 128) of the tetragonal U{sub 3}Si{sub 2}-structure type with lattice parameters a=5.922(1) Å and c=6.879(2) Å. All of the B atoms are involved in B{sub 2} dumbbells with B–B distances of 1.89(4) Å. Structure relaxation using VASP (Vienna ab intio Simulation Package) has confirmed the space group and the lattice parameters. According to electronic structure calculations (TB–LMTO–ASA), the homoatomic B–B interactions are optimized and very strong, but relatively strong heteroatomic Os–B, Nb–B and Nb–Os bonds are also found: These interactions, which together build a three-dimensional network, are mainly responsible for the structural stability of this new phase. The density of state at the Fermi level predicts metallic behavior, as expected, from this metal-rich boride. - Graphical abstract: Nb{sub 2}OsB{sub 2} is, to the best of our knowledge, the first fully characterized phase in the ternary Nb–Os–B system. It crystallizes (space group P4/mnc, 128) with a new twofold superstructure of the U{sub 3}Si{sub 2} structure type (space group P4/mbm, 127), and is therefore the first boride in this structure family crystallizing with a superstructure of the U{sub 3}Si{sub 2} structure type. We show that the distortions leading to this superstructure occurs mainly in the Nb-layer, which tries to accommodate the large osmium atoms. The consequence of this puckering is the building osmium dumbbells instead of chains along [001]. - Highlights: • First compound in the Nb–Os–B system. • New twofold superstructure of U{sub 3}Si{sub 2} structure type. • Puckering of Nb-layer responsible for superstructure occurrence. • Chemical bonding studied

  20. Investigations of the R<sub>5sub>(SixGe>1-xsub>)>4sub> Intermetallic Compounds by X-Ray Resonant Magnetic Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Lizhi [Iowa State Univ., Ames, IA (United States)

    2008-08-18

    The XRMS experiment on the Gd<sub>5sub>Ge>4sub> system has shown that, below the Neel temperature, T<sub>N> = 127 K, the magnetic unit cells is the same as the chemical unit cell. From azimuth scans and the Q dependence of the magnetic scattering, all three Gd sites in the structure were determined to be in the same magnetic space group Pnma. The magnetic moments are aligned along the c-axis and the c-components of the magnetic moments at the three different sites are equal. The ferromagnetic slabs are stacked antiferromagnetically along the b-direction. They found an unusual order parameter curve in Gd<sub>5sub>Ge>4sub>. A spin-reorientation transition is a possibility in Gd<sub>5sub>Ge>4sub>, which is similar to the Tb<sub>5sub>Ge>4sub> case. Tb<sub>5sub>Ge>4sub> possesses the same Sm<sub>5sub>Ge>4sub>-type crystallographic structure and the same magnetic space group as Gd<sub>5sub>Ge>4sub> does. The difference in magnetic structure is that Tb<sub>5sub>Ge>4sub> has a canted one but Gd<sub>5sub>Ge>4sub> has nearly a collinear one in the low temperature antiferromagnetic phase. The competition between the magneto-crystalline anisotropy and the nearest-neighbor magnetic exchange interactions may allow a 3-dimensional canted antiferromagnetic structure in Tb<sub>5sub>Ge>4sub>. The spin-reorientation transition in both Gd<sub>5sub>Ge>4sub> and Tb<sub>5sub>Ge>4sub> may arise from the competition between the magnetic anisotropy from the spin-orbit coupling of the conduction electrons and the dipolar interactions anisotropy.

  1. Degradation kinetics and mechanism of β-lactam antibiotics by the activation of H{sub 2}O{sub 2} and Na{sub 2}S{sub 2}O{sub 8} under UV-254 nm irradiation

    Energy Technology Data Exchange (ETDEWEB)

    He, Xuexiang [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); Department of Civil and Environmental Engineering and Nireas-International Water Research Centre, School of Engineering, University of Cyprus, PO Box 20537, 1678 Nicosia (Cyprus); Mezyk, Stephen P. [Department of Chemistry and Biochemistry, California State University Long Beach, 1250 Bellflower Blvd., Long Beach, CA 90840 (United States); Michael, Irene; Fatta-Kassinos, Despo [Department of Civil and Environmental Engineering and Nireas-International Water Research Centre, School of Engineering, University of Cyprus, PO Box 20537, 1678 Nicosia (Cyprus); Dionysiou, Dionysios D., E-mail: dionysios.d.dionysiou@uc.edu [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); Department of Civil and Environmental Engineering and Nireas-International Water Research Centre, School of Engineering, University of Cyprus, PO Box 20537, 1678 Nicosia (Cyprus)

    2014-08-30

    Graphical abstract: - Highlights: • Removal efficiency was comparable at different UV fluence rates but same fluence. • Reducing pH to 3 or 2 did not inhibit the removal of nitrobenzene by UV/S{sub 2}O{sub 8}{sup 2−}. • 1.84 × 10{sup −14} M [HO{sup •} ]{sub ss} and 3.10 × 10{sup −13} M [SO{sub 4}{sup •} {sup −}]{sub ss} in UV/S{sub 2}O{sub 8}{sup 2−} were estimated. • HO{sup •} reacted faster with the β-lactams than SO{sub 4}{sup •} {sup −} but sharing similar byproducts. • Transformation pathways included hydroxylation, hydrolysis and decarboxylation. - Abstract: The extensive production and usage of antibiotics have led to an increasing occurrence of antibiotic residuals in various aquatic compartments, presenting a significant threat to both ecosystem and human health. This study investigated the degradation of selected β-lactam antibiotics (penicillins: ampicillin, penicillin V, and piperacillin; cephalosporin: cephalothin) by UV-254 nm activated H{sub 2}O{sub 2} and S{sub 2}O{sub 8}{sup 2−} photochemical processes. The UV irradiation alone resulted in various degrees of direct photolysis of the antibiotics; while the addition of the oxidants improved significantly the removal efficiency. The steady-state radical concentrations were estimated, revealing a non-negligible contribution of hydroxyl radicals in the UV/S{sub 2}O{sub 8}{sup 2−} system. Mineralization of the β-lactams could be achieved at high UV fluence, with a slow formation of SO{sub 4}{sup 2−} and a much lower elimination of total organic carbon (TOC). The transformation mechanisms were also investigated showing the main reaction pathways of hydroxylation (+16 Da) at the aromatic ring and/or the sulfur atom, hydrolysis (+18 Da) at the β-lactam ring and decarboxylation (–44 Da) for the three penicillins. Oxidation of amine group was also observed for ampicillin. This study suggests that UV/H{sub 2}O{sub 2} and UV/S{sub 2}O{sub 8}{sup 2−} advanced

  2. Graphical Models with R

    CERN Document Server

    Højsgaard, Søren; Lauritzen, Steffen

    2012-01-01

    Graphical models in their modern form have been around since the late 1970s and appear today in many areas of the sciences. Along with the ongoing developments of graphical models, a number of different graphical modeling software programs have been written over the years. In recent years many of these software developments have taken place within the R community, either in the form of new packages or by providing an R interface to existing software. This book attempts to give the reader a gentle introduction to graphical modeling using R and the main features of some of these packages. In add

  3. The calculated magnetic, electronic and thermodynamic properties of Ce{sub 3}Co{sub 29}Si{sub 4}B{sub 10} compound

    Energy Technology Data Exchange (ETDEWEB)

    Huo, Jin-Rong [Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (China); Wang, Xiao-Xu [Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (China); Cloud Computing Department, Beijing Computing Center, Beijing 100084 (China); Hu, Yao-Wen [Department of Physics, Tsinghua University, Beijing 100084 (China); Zhang, Guo-Hua; Cheng, Hai-Xia; Li, Lu [Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (China); Qian, Ping, E-mail: qianping@ustb.edu.cn [Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (China)

    2016-05-15

    The magnetic moment, lattice parameter and atom fraction coordinates for Ce{sub 3}Co{sub 29}Si{sub 4}B{sub 10} are calculated by the first-principles GGA+U method, and the results indicate that the calculated and experimental values are basically accordant when U=2.6 eV. We study the interaction effect and orbital hybridization between Co and Ce atoms. The projected density of states at U=2.6 eV which provided by Co-2c, Ce-2b and Ce-4d sites are contrasted with else U values. Meanwhile the electron density of states for different sites and the distance between various atoms are exhibited. In addition, the thermodynamic properties of Ce{sub 3}Co{sub 29}Si{sub 4}B{sub 10} are evaluated by using a series of interatomic pair potentials. - Graphical abstract: Change of the total magnetic moment for Ce{sub 3}Co{sub 29}Si{sub 4}B{sub 10} along with the value of U. There is a sharply decline of the curve at U=2.6 eV and, at the moment, the total magnetic moment of the compound have a good agreement with the experimental data. - Highlights: • We research of quaternary rare earth and transition metal compounds. • We perform the calculation of magnetic moment and electronic structure by GGA+U method. • The orbital hybridization between Co and Ce atoms is displayed and analyzed. • Show the plot of projected density of states for different sites more clearly. • Calculate the thermodynamic property of rare-earth transition metal compound.

  4. Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Koley, Biplab [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Chatterjee, S. [Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)

    2017-02-15

    A new phase in the Rh-Cd binary system - Rh{sub 2}Cd{sub 5} has been identified and characterized by single crystal X-ray diffraction and Energy dispersive X-ray analysis. The stoichiometric compound Rh{sub 2}Cd{sub 5} crystallizes with a unit cell containing 14 atoms, in the orthorhombic space group Pbam (55). The crystal structure of Rh{sub 2}Cd{sub 5} can be described as a defect form of the In{sub 3}Pd{sub 5} structure with ordered vacancies, formed of two 2D atomic layers with the stacking sequence: ABAB. The A type layers consist of (3.6.3.6)-Kagomé nets of Cd atoms while the B type layers consist of (3{sup 5}) (3{sup 7})- nets of both Cd and Rh atoms. The stability of this line phase is investigated by first principle electronic structure calculations on the model of ordered Rh{sub 2}Cd{sub 5}. - Graphical abstract: (3.6.3.6)-Kagomé nets of cadmium atoms (top) and (3{sup 5}) (3{sup 7})- nets of both cadmium and rhodium atoms (bottom) in the structure of Rh{sub 2}Cd{sub 5}.

  5. Structural and magnetotransport properties of the Y doped A-site deficient double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Mahamdioua, N., E-mail: mahamdioua.nabil@gmail.com [LEND, Faculty of Science and Technology, Jijel University, Jijel 18000 (Algeria); Amira, A. [LEND, Faculty of Science and Technology, Jijel University, Jijel 18000 (Algeria); Altintas, S.P. [Department of Physics, Faculty of Arts and Sciences, AIB University, Bolu 14280 (Turkey); Koc University, Surface Science and Technology Center (KUYTAM), 34450-Sariyer, Istanbul (Turkey); Varilci, A.; Terzioglu, C. [Department of Physics, Faculty of Arts and Sciences, AIB University, Bolu 14280 (Turkey)

    2016-08-15

    We present structural, magnetic and electrical properties of the polycrystalline A-site-deficient yttrium doped double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3 and 0.4) prepared by a solid state reaction method. The samples crystallize in the tetragonal structure with the space group I4/mmm. Doping with Y decreases the cell parameters and causes a decrease of the metal-insulator transition temperature. The same evolution with doping is also seen for the deduced Curie temperature from susceptibility curves which present a clear paramagnetic-ferromagnetic transition. The significant positive intrinsic magnetoresistance, shown in all samples, reaches 85% at 122 K under 7 T for 0.3 doped sample and can be attributed to the suppression of spin fluctuations via aligning the spins under external magnetic field, while the extrinsic one is attributed to the inter-grain spin-polarized tunneling across the grain boundaries. The simulation of the resistivity curves in the entire temperature range show that the percolation model is suitable to fit our results. The applied magnetic field increases the density of states near the Fermi level, which is in accordance with the observed decrease of resistivity. - Graphical abstract: Resistivity and magnetoresistance of La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3, 0.4). Solid lines correspond to the fitting results. Display Omitted.

  6. Transforming Graphical System Models to Graphical Attack Models

    DEFF Research Database (Denmark)

    Ivanova, Marieta Georgieva; Probst, Christian W.; Hansen, Rene Rydhof

    2016-01-01

    Manually identifying possible attacks on an organisation is a complex undertaking; many different factors must be considered, and the resulting attack scenarios can be complex and hard to maintain as the organisation changes. System models provide a systematic representation of organisations...... approach to transforming graphical system models to graphical attack models in the form of attack trees. Based on an asset in the model, our transformations result in an attack tree that represents attacks by all possible actors in the model, after which the actor in question has obtained the asset....

  7. Synthesis by two methods and crystal structure determination of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Torres-Martinez, Leticia M., E-mail: lettorresg@yahoo.com [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Ruiz-Gomez, Miguel A. [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); Figueroa-Torres, M.Z.; Juarez-Ramirez, Isaias [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Moctezuma, Edgar [Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); and others

    2012-04-16

    Graphical abstract: The monoclinic (space group C2/c) structure of a new compound, Sm{sub 2}FeTaO{sub 7} shows an alternating Sm-O and Fe/Ta-O layers. In the Fe/Ta-O layer, Fe/Ta1 and Fe/Ta3 cations are coordinated by six oxygen atoms, forming irregular octahedral interconnected into a hexagonal tungsten bronze (HTB) type network. The HTB layer is a fundamental framework in the pyrohlore-related structure. Highlights: Black-Right-Pointing-Pointer Pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} prepared by solid state reaction and sol-gel. Black-Right-Pointing-Pointer Sm{sub 2}FeTaO{sub 7} crystallizes with a monoclinic crystal structure and space group C2/c. Black-Right-Pointing-Pointer The compound is synthesized by sol-gel at lower temperature and time than solid state. Black-Right-Pointing-Pointer Surface area of sol-gel Sm{sub 2}FeTaO{sub 7} is 10 times higher than that prepared by solid state. - Abstract: This paper reports on the synthesis of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} by both solid state reaction and sol-gel synthesis routes. Structural features were determined by X-ray powder diffraction and Rietveld refinement and were corroborated using Transmission Electron Microscopy (TEM). The results revealed that Sm{sub 2}FeTaO{sub 7} crystallized in the monoclinic system with space group C2/c and the following cell parameters: a = 13.1307(5) Angstrom-Sign , b = 7.5854(3) Angstrom-Sign , c = 11.6425(4) Angstrom-Sign and {beta} = 100.971(2) Degree-Sign . The monoclinic structure of Sm{sub 2}FeTaO{sub 7} showed an arrangement of alternating Sm-O and Fe/Ta-O layers and two types of irregular octahedra of Fe/Ta-O, which are interconnected into a hexagonal tungsten bronze (HTB)-type network. On the other hand, Sm{sub 2}FeTaO{sub 7} prepared by sol-gel was obtained with lower particle sizes than the solid state produced compound. The difference in particle size causes a difference of one order of magnitude in the specific surface area. In

  8. Synthesis, magnetism and electronic structure of YbNi{sub 2-x}Fe{sub x}Al{sub 8} (x=0.91) isolated from Al flux

    Energy Technology Data Exchange (ETDEWEB)

    Xiuni, Wu [Department of Physical Sciences, Rhode Island College, Providence, RI 02908 (United States); Francisco, Melanie [Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States); Rak, Zsolt [Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Bakas, T [Department of Physics, University of Ioannina, GR-45110 Ioannina (Greece); Mahanti, S D [Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Kanatzidis, Mercouri G. [Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States)], E-mail: m-kanatzidis@northwestern.edu

    2008-12-15

    The combination of ytterbium, nickel, iron in liquid aluminum resulted in the formation of the new intermetallic compound YbNi{sub 2-x}Fe{sub x}Al{sub 8} (x=0.91) which adopts the CaCo{sub 2}Al{sub 8} structure type with a=14.458(3) A, b=12.455(3) A, c=3.9818(8) A and space group Pbam. Its resistivity drops with decreasing temperature, saturating to a constant value at lower temperatures. Above 50 K, the inverse magnetic susceptibility data follows Curie-Weiss Law, with a calculated {mu}{sub eff}=2.19 {mu}{sub B}. Although the observed reduced moment in magnetic susceptibility measurement suggests that the Yb ions in this compound are of mixed-valent nature, ab initio electronic structure calculations within density functional theory using LDA+U approximation give an f{sup 13} configuration in the ground state. - Graphical abstract: The reaction of ytterbium, nickel, iron in aluminum flux gives crystals of the intermetallic compound YbNi{sub 2-x}Fe{sub x}Al{sub 8} (x=0.96) which adopts the CaCo{sub 2}Al{sub 8} structure, ab initio electronic structure calculations within density functional theory using LDA+U approximation suggest an f{sup 13} configuration in the ground state.

  9. Measurement of serum FT/sub 4/ in pregnancy and binding protein abnormalities by different methods

    Energy Technology Data Exchange (ETDEWEB)

    Meinhold, H; Wenzel, K W

    1985-11-01

    In serum of pregnant women in the 3rd trimester, the majority of FT/sub 4/ methods compared in the present study yielded FT/sub 4/ concentrations in the lower parts of normal ranges or beyond the lower normal border lines. In TBG deficiency, serum FT/sub 4/ as measured by six FT/sub 4/ kits was found to be in the manufacturer-specified normal ranges and did not show clearly recognizable systematic differences between single kits or kit groups with different methodological principles. considerable kit-dependent differences of measured FT/sub 4/ were found in euthyroid patients with TBG excess; all values were, however, in the respective normal ranges. In dysalbuminemic hyperthyroxinemia, labelled analogue kits yielded falsely elevated FT/sub 4/ concentrations, while FT/sub 4/ measured by non-analogue methods was normal in agreement with the euthyroid status of the patient.

  10. Electron microscopy analyses and electrical properties of the layered Bi{sub 2}WO{sub 6} phase

    Energy Technology Data Exchange (ETDEWEB)

    Taoufyq, A. [Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université du Sud Toulon-Var, BP 20132, 83957, La Garde Cedex (France); Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Maroc (Morocco); Département d‘Études des Réacteurs, Laboratoire Dosimétrie Capteurs Instrumentation, CEA Cadarache (France); Société CESIGMA—Signals and Systems, 1576 Chemin de La Planquette, F 83 130 LA GARDE (France); Ait Ahsaine, H. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Maroc (Morocco); Patout, L. [Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université du Sud Toulon-Var, BP 20132, 83957, La Garde Cedex (France); Benlhachemi, A.; Ezahri, M. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Maroc (Morocco); and others

    2013-07-15

    The bismuth tungstate Bi{sub 2}WO{sub 6} was synthesized using a classical coprecipitation method followed by a calcination process at different temperatures. The samples were characterized by X-ray diffraction, simultaneous thermogravimetry and differential thermal analysis (TGA/DTA), scanning and transmission electron microscopy (SEM, TEM) analyses. The Rietveld analysis and electron diffraction clearly confirmed the Pca2{sub 1} non centrosymmetric space group previously proposed for this phase. The layers Bi{sub 2}O{sub 2}{sup 2+} and WO{sub 4}{sup 2−} have been directly evidenced from the HRTEM images. The electrical properties of Bi{sub 2}WO{sub 6} compacted pellets systems were determined from electrical impedance spectrometry (EIS) and direct current (DC) analyses, under air and argon, between 350 and 700 °C. The direct current analyses showed that the conduction observed from EIS analyses was mainly ionic in this temperature range, with a small electronic contribution. Electrical change above the transition temperature of 660 °C is observed under air and argon atmospheres. The strong conductivity increase observed under argon is interpreted in terms of formation of additional oxygen vacancies coupled with electron conduction. - Graphical abstract: High resolution transmission electron microscopy: inverse fast Fourier transform giving the layered structure of the Bi{sub 2}WO{sub 6} phase, with a representation of the cell dimensions (b and c vectors). The Bi{sub 2}O{sub 2}{sup 2+} and WO{sub 4}{sup 2−} sandwiches are visible in the IFFT image. - Highlights: • Using transmission electron microscopy, we visualize the layered structure of Bi{sub 2}WO{sub 6}. • Electrical analyses under argon gas show some increase in conductivity. • The phase transition at 660 °C is evidenced from electrical modification.

  11. A new oxytelluride: Perovskite and CsCl intergrowth in Ba{sub 3}Yb{sub 2}O{sub 5}Te

    Energy Technology Data Exchange (ETDEWEB)

    Whalen, J.B., E-mail: icatchsnook@yahoo.com [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); Specialized Crystal Processing, Inc., 400 Capital Circle SE, Suite 18227, Tallahassee, FL 32301-3839 (United States); Besara, T. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Vasquez, R.; Herrera, F. [The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Sun, J. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Ramirez, D. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Specialized Crystal Processing, Inc., 400 Capital Circle SE, Suite 18227, Tallahassee, FL 32301-3839 (United States); Stillwell, R.L. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); and others

    2013-07-15

    The new oxytelluride Ba{sub 3}Yb{sub 2}O{sub 5}Te was obtained from an alkaline earth flux. Ba{sub 3}Yb{sub 2}O{sub 5}Te crystallizes in the tetragonal space group P4/mmm (#123), with a=4.3615(3) Å and c=11.7596(11) Å, Z=1. The structure combines two distinct building blocks, a Ba{sub 2}Yb{sub 2}O{sub 5} perovskite-like double layer with square bipyramidal coordination of the ytterbium ions, and a CsCl-type BaTe layer. Short range magnetic order is apparent at below 5 K, with the magnetic behavior above this temperature dominated by crystal field effects. The structure may be considered as an analog to the Ruddlesden–Popper phases, where the NaCl-type layer has been replaced by the CsCl-type layer. The two-dimensional magnetic behavior is expected based on the highly anisotropic nature of the structure. - Graphical abstract: Optical images of Ba{sub 3}Yb{sub 2}O{sub 5}Te in transmission (left) and reflected (right) light, with atomic unit cell overlay. - Highlights: • Single crystal synthesis and characterization of a new phase, Ba{sub 3}Yb{sub 2}O{sub 5}Te. • The structure features the BaTe high pressure polymorph intergrowth. • Magnetic susceptibility measurements show short range 2 dimensional ordering. • Heat capacity measurements show a feature at the magnetic ordering temperature. • Optical reflectivity measurements show a {sup 2}F{sub 7/2}→{sup 2}F{sub 5/2} absorption at 976 nm.

  12. OAP- OFFICE AUTOMATION PILOT GRAPHICS DATABASE SYSTEM

    Science.gov (United States)

    Ackerson, T.

    1994-01-01

    The Office Automation Pilot (OAP) Graphics Database system offers the IBM PC user assistance in producing a wide variety of graphs and charts. OAP uses a convenient database system, called a chartbase, for creating and maintaining data associated with the charts, and twelve different graphics packages are available to the OAP user. Each of the graphics capabilities is accessed in a similar manner. The user chooses creation, revision, or chartbase/slide show maintenance options from an initial menu. The user may then enter or modify data displayed on a graphic chart. The cursor moves through the chart in a "circular" fashion to facilitate data entries and changes. Various "help" functions and on-screen instructions are available to aid the user. The user data is used to generate the graphics portion of the chart. Completed charts may be displayed in monotone or color, printed, plotted, or stored in the chartbase on the IBM PC. Once completed, the charts may be put in a vector format and plotted for color viewgraphs. The twelve graphics capabilities are divided into three groups: Forms, Structured Charts, and Block Diagrams. There are eight Forms available: 1) Bar/Line Charts, 2) Pie Charts, 3) Milestone Charts, 4) Resources Charts, 5) Earned Value Analysis Charts, 6) Progress/Effort Charts, 7) Travel/Training Charts, and 8) Trend Analysis Charts. There are three Structured Charts available: 1) Bullet Charts, 2) Organization Charts, and 3) Work Breakdown Structure (WBS) Charts. The Block Diagram available is an N x N Chart. Each graphics capability supports a chartbase. The OAP graphics database system provides the IBM PC user with an effective means of managing data which is best interpreted as a graphic display. The OAP graphics database system is written in IBM PASCAL 2.0 and assembler for interactive execution on an IBM PC or XT with at least 384K of memory, and a color graphics adapter and monitor. Printed charts require an Epson, IBM, OKIDATA, or HP Laser

  13. K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9}: The first osmium perovskites containing alkali cations at the 'A' site

    Energy Technology Data Exchange (ETDEWEB)

    Mogare, Kailash M.; Klein, Wilhelm [Stuttgart, Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Jansen, Martin, E-mail: M.Jansen@fkf.mpg.de [Stuttgart, Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

    2012-07-15

    K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9} were obtained from solid-state reactions of potassium superoxide, sodium peroxide and osmium metal at elevated oxygen pressures. K{sub 2}NaOsO{sub 5.5} crystallizes as an oxygen-deficient cubic double perovskite in space group Fm3{sup Macron }m with a=8.4184(5) A and contains isolated OsO{sub 6} octahedra. K{sub 3}NaOs{sub 2}O{sub 9} crystallizes hexagonally in P6{sub 3}/mmc with a=5.9998(4) A and c=14.3053(14) A. K{sub 3}NaOs{sub 2}O{sub 9} consists of face sharing Os{sub 2}O{sub 9} pairs of octahedra. According to magnetic measurements K{sub 2}NaOsO{sub 5.5} is diamagnetic, whereas K{sub 3}NaOs{sub 2}O{sub 9} displays strong antiferromagnetic coupling (T{sub N}=140 K), indicating enhanced magnetic interactions within the octahedral pair. - Graphical abstract: High oxidation states of Os, obtained by high oxygen pressure synthesis, are accommodated in double and triple perovskite matrices. K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions. Highlights: Black-Right-Pointing-Pointer New osmates containing highly oxidized Os were obtained by high O{sub 2} pressure synthesis. Black-Right-Pointing-Pointer High oxidation states of Os are accommodated in double and triple perovskite matrices. Black-Right-Pointing-Pointer Both compounds represent the first Os perovskites with an alkali metal at the A site. Black-Right-Pointing-Pointer K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions within the octahedral pair.

  14. Synthesis, crystal structure, and vibrational spectroscopic and UV-visible studies of Cs{sub 2}MnP{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Kaoua, Saida; Krimi, Saida [LPCMI, Faculte des Sciences Aien Chok, UH2C, Casablanca (Morocco); Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre [CNRS, Universite de Bordeaux, ICMCB, 87, Avenue du Dr. A. Schweitzer, Pessac (France); Couzi, Michel [CNRS, Universite de Bordeaux, ISM, UMR 5255, F-33400 Talence (France); El Jazouli, Abdelaziz, E-mail: eljazouli_abdelaziz@yahoo.fr [LCMS, URAC 17, Faculte des Sciences Ben M' Sik, UH2MC, Casablanca (Morocco)

    2013-02-15

    A new member of the A{sub 2}MP{sub 2}O{sub 7} diphosphate family, Cs{sub 2}MnP{sub 2}O{sub 7}, has been synthesized and structurally characterized. The crystal structure was determined by single crystal X-Ray diffraction. Cs{sub 2}MnP{sub 2}O{sub 7} crystallizes in the orthorhombic system, space group Pnma ( Music-Sharp-Sign 62), with the unit cell parameters a=16.3398(3), b=5.3872(1), c=9.8872(2) A, Z=4 and V=870.33(3) A{sup 3}. The structure parameters were refined to a final R{sub 1}/wR{sub 2}=0.0194/0.0441 for 1650 observed reflections. The 2D framework of Cs{sub 2}MnP{sub 2}O{sub 7} structure consists of P{sub 2}O{sub 7} and MnO{sub 5} units. The corner-shared MnO{sub 5} and P{sub 2}O{sub 7} units are alternately arranged along the b axis to form [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains. These chains are interconnected by an oxygen atom to form sheets parallel to the (b, c) plane. The cesium atoms are located between the sheets in 9- and 10-fold coordinated sites. The infrared and Raman vibrational spectra have been investigated. A factor group analysis leads to the determination of internal modes of (P{sub 2}O{sub 7}) groups. UV-visible spectrum consists of weak bands, between 340 and 700 nm, assigned to the forbidden d-d transitions of Mn{sup 2+} ion, and of a strong band around 250 nm, attributed to the O--Mn charge transfer. - Graphical abstract: Structure of Cs{sub 2}MnP{sub 2}O{sub 7}: The 2D structure of Cs{sub 2}MnP{sub 2}O{sub 7} is built from P{sub 2}O{sub 7} diphosphate groups and MnO{sub 5} square pyramids which share corners and form [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains along b axis. These chains are interconnected by an oxygen atom to form wavy (MnP{sub 2}O{sub 7}){sup 2-} sheets parallel to the (b, c) plane. The cesium ions are located between these sheets in the inter-layers space, in zigzag positions. Highlights: Black-Right-Pointing-Pointer A new diphosphate, Cs{sub 2}MnP{sub 2}O{sub 7}, has been synthesized and structurally

  15. Data structure techniques for the graphical special unitary group approach to arbitrary spin representations

    International Nuclear Information System (INIS)

    Kent, R.D.; Schlesinger, M.

    1987-01-01

    For the purpose of computing matrix elements of quantum mechanical operators in complex N-particle systems it is necessary that as much of each irreducible representation be stored in high-speed memory as possible in order to achieve the highest possible rate of computations. A graph theoretic approach to the representation of N-particle systems involving arbitrary single-particle spin is presented. The method involves a generalization of a technique employed by Shavitt in developing the graphical group approach (GUGA) to electronic spin-orbitals. The methods implemented in GENDRT and DRTDIM overcome many deficiencies inherent in other approaches, particularly with respect to utilization of memory resources, computational efficiency in the recognition and evaluation of non-zero matrix elements of certain group theoretic operators and complete labelling of all the basis states of the permutation symmetry (S N ) adapted irreducible representations of SU(n) groups. (orig.)

  16. Enthalpies of solvation of ethylene oxide oligomers CH{sub 3}O(CH{sub 2}CH{sub 2}O){sub n}CH{sub 3} (n = 1 to 4) in different H-bonding solvents: Methanol, chloroform, and water. Group contribution method as applied to the polar oligomers

    Energy Technology Data Exchange (ETDEWEB)

    Barannikov, Vladimir P., E-mail: vpb@isc-ras.ru [Institute of Solution Chemistry, Russian Academy of Sciences, Academicheskaya Str. 1, Ivanovo 153045 (Russian Federation); Guseynov, Sabir S.; Vyugin, Anatoliy I. [Institute of Solution Chemistry, Russian Academy of Sciences, Academicheskaya Str. 1, Ivanovo 153045 (Russian Federation)

    2011-12-15

    Highlights: > Solvation enthalpy is found for ethylene oxide oligomers in chloroform and methanol. > Coefficients of solute-solute interaction are determined for oligomers in methanol. > Enthalpies of hydrogen bonding of oligomers with chloroform and water are estimated. > Additivity scheme is developed for describing enthalpies of solvation of oligomers. - Abstract: The enthalpies of solution and solvation of ethylene oxide oligomers CH{sub 3}O(CH{sub 2}CH{sub 2}O){sub n}CH{sub 3} (n = 1 to 4) in methanol and chloroform have been determined from calorimetric measurements at T = 298.15 K. The enthalpic coefficients of pairwise solute-solute interaction for methanol solutions have been calculated. The enthalpic characteristics of the oligomers in methanol, chloroform, water and tetrachloromethane have been compared. The hydrogen bonding of the oligomers with chloroform and water molecules is exhibited in the values of solvation enthalpy and coefficient of solute-solute interaction. This effect is not observed for methanol solvent. The thermochemical data evidence an existence of multi-centred hydrogen bonds in associates of polyethers with the solvent molecules. Enthalpies of hydrogen bonding of the oligomers with chloroform and water have been estimated. The additivity scheme has been developed to describe the enthalpies of solvation of ethylene oxide oligomers, unbranched monoethers and n-alkanes in chloroform, methanol, water, and tetrachloromethane. The correction parameters for contribution of repeated polar groups and correction term for methoxy-compounds have been introduced. The obtained group contributions permit to describe the enthalpies of solvation of unbranched monoethers and ethylene oxide oligomers in the solvents with standard deviation up to 0.6 kJ . mol{sup -1}. The values of group contributions and corrections are strongly influenced by solvent properties.

  17. The influence of annotation in graphical organizers

    NARCIS (Netherlands)

    Bezdan, Eniko; Kester, Liesbeth; Kirschner, Paul A.

    2013-01-01

    Bezdan, E., Kester, L., & Kirschner, P. A. (2012, 29-31 August). The influence of annotation in graphical organizers. Poster presented at the biannual meeting of the EARLI Special Interest Group Comprehension of Text and Graphics, Grenoble, France.

  18. Comparison of Two Different Presentations of Graphic Organizers in Recalling Information in Expository Texts with Intellectually Disabled Students

    Science.gov (United States)

    Ozmen, Ruya Guzel

    2011-01-01

    The purpose of this study was to compare the effectiveness of two different presentations of graphic organizers on recalling information from compare/contrast text which is a kind of expository text in intellectually disabled students. The first presentation included graphic organizers which were presented before reading whereas in the second…

  19. Diversity of Chemical Bonding and Oxidation States in MS <sub>4sub> Molecules of Group 8 Elements

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Wei [Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084 P.R. China; Jiang, Ning [Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084 P.R. China; Schwarz, W. H. Eugen [Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084 P.R. China; Physical and Theoretical Chemistry, University of Siegen, Siegen 57068 Germany; Yang, Ping [Theoretical Division, Los Alamos National Laboratory, Los Alamos New Mexico 87545 USA; Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland Washington 953002 USA; Li, Jun [Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084 P.R. China; Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland Washington 953002 USA

    2017-07-11

    The geometric and electronic ground-state structures of six MS<sub>4sub> molecules (M = group-8 metals Fe, Ru, Os, Hs, Sm, and Pu) have been studied by using quantum-chemical density-functional and correlated wave-function approaches. The MS<sub>4sub> species are compared to analogous MO<sub>4sub> species recently investi-gated (Inorg. Chem. 2016, 55: 4616). Metal oxidation state (MOS) of high value VIII appears in low- spin singlet Td geometric species (Os,Hs)S<sub>4sub> and (Ru,Os,Hs)O<sub>4sub>, whereas low MOS=II appears in high- spin septet D<sub>2dsub> species Fe(S<sub>2sub>)>2sub> and (slightly excited) metastable Fe(O<sub>2sub>)>2sub>. The ground states of all other molecules have intermediate MOS values, containing S2-, S<sub>2sub>2-, S21- (and resp. O2--, O1-, O<sub>2sub>2-, O<sub>2sub>1-) ligands, bonded by ionic, covalent and correlative contributions.

  20. Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Savina, A.A. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 670047 (Russian Federation); Department of Chemistry, Buryat State University, Ulan-Ude 670000 (Russian Federation); Atuchin, V.V., E-mail: atuchin@isp.nsc.ru [Laboratory of Optical Materials and Structures, Rzhanov Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Functional Electronics Laboratory, Tomsk State University, Tomsk 634050 (Russian Federation); Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Solodovnikov, S.F. [Laboratory of Crystal Chemistry, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Department of Natural Sciences, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Solodovnikova, Z.A. [Laboratory of Crystal Chemistry, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Krylov, A.S. [Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Maximovskiy, E.A. [Laboratory of Epitaxial Layers, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Laboratory of Research Methods of Composition and Structure of Functional Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Molokeev, M.S. [Laboratory of Crystal Structure, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Oreshonkov, A.S [Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Department of Photonics and Laser Technology, Siberian Federal University, Krasnoyarsk 660079 (Russian Federation); Pugachev, A.M. [Laboratory of Condenced Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation); and others

    2015-05-15

    New ternary molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is synthesized in the system Na{sub 2}MoO{sub 4}–Cs{sub 2}MoO{sub 4}–Bi{sub 2}(MoO{sub 4}){sub 3}. The structure of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å{sup 3}, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs{sub 2}NaBi(MoO{sub 4}){sub 3} up to the melting point at 826 K. The compound shows an SHG signal, I{sub 2w}/I{sub 2w}(SiO{sub 2})=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured. - Graphical abstract: - Highlights: • The crystal structure of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is defined. • The molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is stable up to melting point at 826 K. • Vibrational properties of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} are evaluated by Raman spectroscopy.

  1. Variable dimensionality and framework found in a series of quaternary zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·xH{sub 2}O (A = Na, Rb, and Cs; 0≤x≤1) and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min, E-mail: kmok@cau.ac.kr

    2017-01-15

    Five new alkali metal zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·xH{sub 2}O (A = Na, Rb, and Cs; 0≤x≤1) and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O have been synthesized by heating a mixture of ZnO, SeO{sub 2} and A{sub 2}CO{sub 3} (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn{sup 2+}. While Rb{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4} and Cs{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·H{sub 2}O revealed three-dimensional frameworks consisting of isolated ZnO{sub 4} tetrahedra and SeO{sub 3} polyhedra, Na{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}, Cs{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}, and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O contained two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers. Specifically, whereas isolated ZnO{sub 4} tetrahedra and SeO{sub 3} polyhedra are arranged into two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers in two cesium compounds, circular [Zn{sub 3}O{sub 10}]{sup 14-} chains and SeO{sub 3} linkers are formed in two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers in Na{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}. Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations. - Graphical abstract: Variable dimensions and frameworks were found in a series of quaternary zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4} (A = Na, Rb and Cs). - Highlights: • Five novel quaternary zinc selenites are synthesized. • All the selenites with different structures contain polarizable d{sup 10} and lone pair cations. • The size of alkali metal cations is significant in determining the framework geometry.

  2. Characterization of Al{sub 2}O{sub 3}NP-Al{sub 2024} and Ag{sub C}NP-Al{sub 2024} composites prepared by mechanical processing in a high energy ball mill

    Energy Technology Data Exchange (ETDEWEB)

    Carreno-Gallardo, C. [Centro de Investigacion en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnologia-Chihuahua, Miguel de Cervantes No. 120, C.P. 31109, Chihuahua (Mexico); Universidad Autonoma Metropolitana, Departamento de Materiales, Av. San Pablo No. 180, Col Reynosa-Tamaulipas, CP 02200, D.F. (Mexico); Estrada-Guel, I. [Centro de Investigacion en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnologia-Chihuahua, Miguel de Cervantes No. 120, C.P. 31109, Chihuahua (Mexico); Romero-Romo, M. [Universidad Autonoma Metropolitana, Departamento de Materiales, Av. San Pablo No. 180, Col Reynosa-Tamaulipas, CP 02200, D.F. (Mexico); Cruz-Garcia, R. [Universidad Autonoma de Chihuahua (UACH), Facultad de Ingenieria, Circuito No. 1 Nuevo Campus Universitario, C.P. 31125, Chihuahua (Mexico); Lopez-Melendez, C. [Centro de Investigacion en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnologia-Chihuahua, Miguel de Cervantes No. 120, C.P. 31109, Chihuahua (Mexico); Universidad La Salle Chihuahua, Prol. Lomas de Majalca No. 11201, C.P. 31020, Chihuahua (Mexico); Martinez-Sanchez, R., E-mail: roberto.martinez@cimav.edu.mx [Centro de Investigacion en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnologia-Chihuahua, Miguel de Cervantes No. 120, C.P. 31109, Chihuahua (Mexico)

    2012-09-25

    Graphical abstract: Mechanical alloying was used to produce two kinds of metal matrix composites based on 2024 aluminum alloy, the nanocomposites were reinforced with different percentages of Al{sub 2}O{sub 3} and Ag{sub C} nanoparticles. The content of nanoparticles has a role important on the mechanical properties of the nanocomposite. 10 h of milling time are enough to former the Al{sub 2024} nanocomposites. The results obtained by differential scanning calorimeter show the temperatures of intermetallic precipitation, which were identified by X-ray diffraction. The results revealed that mechanical alloying is an excellent route to incorporate and distribute NP into Al{sub 2024}. Highlights: Black-Right-Pointing-Pointer Aluminum-based nanocomposites were synthesized bay milling process. Black-Right-Pointing-Pointer An homogeneous nanoparticles dispersion was reached and mechanical properties were enhanced. Black-Right-Pointing-Pointer Phase transformation during heating was characterized by XRD. - Abstract: Mechanical alloying was used to produce two kinds of metal matrix composites based on 2024 aluminum alloy. The nanocomposites were reinforced with different percentages of Al{sub 2}O{sub 3} and Ag{sub C} nanoparticles. The content of nanoparticles has an important role on the mechanical properties of the nanocomposites. A milling time of 10 h is enough to form the Al{sub 2024} nanocomposites. The thermograms obtained by differential scanning calorimeter show the temperatures of phase precipitation, which were identified by X-ray diffraction. The results revealed that mechanical alloying is an excellent route for the incorporation and distribution of nanoparticles into Al{sub 2024}.

  3. High-pressure synthesis and crystal structures of the strontium oxogallates Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}

    Energy Technology Data Exchange (ETDEWEB)

    Kahlenberg, Volker, E-mail: volker.kahlenberg@uibk.ac.at [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck A-6020 (Austria); Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck A-6020 (Austria)

    2015-08-15

    High-pressure synthesis experiments in a piston–cylinder apparatus at 1.5 GPa/3.0 GPa and 1000 °C resulted in the formation of single-crystals of Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}, respectively. The structures of both compounds have been solved from single-crystal diffraction data sets using direct methods. The first compound is orthorhombic with space group type Pbca (a=10.0021(4) Å, b=9.601(4) Å, c=10.6700(4) Å, V=1024.6(4) Å{sup 3}, M{sub r}=394.68 u, Z=8, D{sub x}=5.12 g/cm{sup 3}) and belongs to the group of single layer gallates. Individual sheets are parallel to (0 0 1) and can be built from the condensation of unbranched vierer single chains running along [0 1 0]. The layers are characterized by the presence of four- and strongly elliptical eight-membered rings of corner connected tetrahedra in UUDD and UUUUDDDD conformation. Strontium atoms are sandwiched between the tetrahedral layers for charge compensation and are coordinated by six and seven oxygen ligands, respectively. Sr{sub 2}Ga{sub 2}O{sub 5} is isotypic with several other double sulfides and selenides. To the best of our knowledge, it is the first example of an oxide with this structure type. From a structural point of view, Sr{sub 5}Ga{sub 6}O{sub 14} is a phyllogallate as well. The crystal structure adopts the monoclinic space group P2{sub 1}/c (a=8.1426(3) Å, b=8.1803(3) Å, c=10.8755(4) Å, β=91.970(4)° V=723.98(5) Å{sup 3}, M{sub r}=1080.42 u, Z=2, D{sub x}=4.96 g/cm{sup 3}). Individual sheets extend along (0 0 1). Basic building units are unbranched dreier single chains parallel to [1 0 0]. The layers contain tertiary (Q{sup 3}) und quaternary (Q{sup 4}) connected [GaO{sub 4}]-tetrahedra in the ratio 2:1 resulting in a Ga:O ratio of 3:7 and the formation of exclusively five-membered rings. Linkage between adjacent tetrahedral sheets is provided by three symmetrically independent strontium ions which are surrounded by six to eight oxygen atoms. The layers

  4. Structure and optical properties of [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub m}

    Energy Technology Data Exchange (ETDEWEB)

    Eichhorn, Simon; Mader, Werner, E-mail: mader@uni-bonn.de

    2016-01-15

    Compounds of [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub 1} (x≤0.22) and [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub 2} (x≤0.42) were prepared by solid state processing proving a substantial solid solution of Sn in the layered compounds InGaO{sub 3}(ZnO){sub m} (m=1, 2). Single crystal X-ray diffraction of the compounds reveals two In{sup 3+} ions to be substituted by one Sn{sup 4+} and one Zn{sup 2+} at the octahedral layer preserving the average charge of +3 at these sites. The substitution does not lead to an ordering of the ions but proves for the first time that the octahedral site can be occupied by different ions while all characteristics of the layered structures remain unchanged. Consequences of indium substitution are (i) decrease of the a axis compared to InGaO{sub 3}(ZnO){sub m} according to smaller ionic radii of Sn{sup 4+} and Zn{sup 2+} compared to In{sup 3+} and (ii) shift of the optical band gap to higher energies shown by UV–vis measurements. - Graphical abstract: Substitution limits of indium in InGaO{sub 3}(ZnO){sub m} (IGZO) by Sn and Zn are studied for m=1, 2 by single crystal X-ray diffraction and micro-chemical analysis. - Highlights: • New Oxides [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub m} (m=1, 2) with IGZO type structure. • Sn and Zn substitute for In at octahedral sites. • Crystal structures were characterized by single crystal X-ray diffraction. • Optical band gap energies were determined by UV–vis spectroscopy.

  5. Structural investigation and luminescence of nanocrystalline lanthanide doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Pin, Sonia [Paul Scherrer Institute, General Energy Research (ENE), Laboratory for Bioenergy and Catalysis, CH-5232 Villigen PSI (Switzerland); Piccinelli, Fabio [Dipartimento di Biotecnologie, Universita di Verona and INSTM, UdR Verona, Strada Le Grazie 15, I-37134 Verona (Italy); Upendra Kumar, Kagola [Grupo de Fotonica e Fluidos Complexos, Instituto de Fisica, Universidade Federal de Alagoas (UFAL), Maceio-AL (Brazil); Enzo, Stefano [Dipartimento di Chimica, Universita di Sassari, 07100 Sassari (Italy); Ghigna, Paolo [Dipartimento di Chimica, Universita di Pavia, V.le Taramelli 16, I-27100 Pavia (Italy); Cannas, Carla; Musinu, Anna [Dipartimento di Scienze Chimiche, Universita di Cagliari, Cittadella Universitaria Monserrato, I-09042 Cagliari (Italy); Mariotto, Gino [Dipartimento di Informatica, Universita di Verona, Strada Le Grazie 15, I-37134 Verona (Italy); Bettinelli, Marco [Dipartimento di Biotecnologie, Universita di Verona and INSTM, UdR Verona, Strada Le Grazie 15, I-37134 Verona (Italy); Speghini, Adolfo, E-mail: adolfo.speghini@univr.it [Dipartimento di Biotecnologie, Universita di Verona and INSTM, UdR Verona, Strada Le Grazie 15, I-37134 Verona (Italy)

    2012-12-15

    Nd{sup 3+} and Eu{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanostructured multiferroics (nanoparticles or nanorods) were prepared by a sol-gel route. X-Ray powder diffraction results evidence that the sodium and mixed sodium-potassium niobates show orthorhombic (Pmc2{sub 1} space group), and monoclinic structure (Pm space group), respectively, confirmed by the Raman spectra. The local structure around the trivalent lanthanides was investigated with Extended X-ray Absorption Fine Structure spectroscopy at the Ln-K edge and luminescence spectroscopy. The Ln{sup 3+} ions enter the structure by substituting the alkali metals, with a 12-fold oxygen coordination, and inducing a large amount of static disorder. The visible emission bands of the Eu{sup 3+} ions indicate that multiple sites exist for the lanthanide ions, in agreement with the EXAFS results showing the largest amount of static disorder in these samples. A possible indication of clustering of oxygen vacancies around the Ln{sub Na} Double-Prime defect is obtained by VBS calculations. - Graphical Abstract: Ln{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanoparticles or nanorods can be prepared by a simple sol-gel procedure. The synergy of X-ray diffraction, EXAFS and luminescence spectroscopy gives important information on the Ln{sup 3+} local environment. Highlights: Black-Right-Pointing-Pointer Nd{sup 3+} and Eu{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanoparticles or nanorods are prepared by sol-gel. Black-Right-Pointing-Pointer EXAFS indicates that the Ln{sup 3+} ions substitutes the Na{sup +} and K{sup +} ions, inducing a large amount of static disorder. Black-Right-Pointing-Pointer The visible emission bands of the Eu{sup 3+} ions confirm that multiple sites exist for the lanthanide ions.

  6. Crystal growth and thermoluminescence response of NaZr{sub 2}(PO{sub 4}){sub 3} at high gamma radiation doses

    Energy Technology Data Exchange (ETDEWEB)

    Ordóñez-Regil, E., E-mail: eduardo.ordonez@inin.gob.mx [Depto. de Química, Gerencia de Ciencias Básicas, Instituto Nacional de Investigaciones Nucleares, AP 18-1027, CP 11801 México D.F. (Mexico); Contreras-Ramírez, A., E-mail: aida.contreras@inin.gob.mx [Depto. de Química, Gerencia de Ciencias Básicas, Instituto Nacional de Investigaciones Nucleares, AP 18-1027, CP 11801 México D.F. (Mexico); Depto. de Tecnología de Materiales, Gerencia de Ciencias Aplicadas, Instituto Nacional de Investigaciones Nucleares, AP 18-1027, CP 11801 México D.F. (Mexico); Facultad de Ciencias, Universidad Autónoma del Estado de México, Unidad Académica el Cerrillo, Piedras Blancas, AP 2-139, CP 50000 Toluca Estado de México (Mexico); Fernández-Valverde, S.M., E-mail: suilma.fernandez@inin.gob.mx [Depto. de Química, Gerencia de Ciencias Básicas, Instituto Nacional de Investigaciones Nucleares, AP 18-1027, CP 11801 México D.F. (Mexico); González-Martínez, P.R., E-mail: pedro.gonzalez@inin.gob.mx [Depto. de Física, Gerencia de Ciencias Básicas, Instituto Nacional de Investigaciones Nucleares, AP 18-1027, CP 11801 México D.F. (Mexico); Carrasco-Ábrego, H., E-mail: hector.carrasco@inin.gob.mx [Depto. Aceleradores, Gerencia de Ciencias Ambientales, Instituto Nacional de Investigaciones Nucleares, AP 18-1027, CP 11801 México D.F. (Mexico)

    2013-11-15

    Graphical abstract: -- Highlights: •NaZr{sub 2}(PO{sub 4}){sub 3} exposed to gamma doses of 10, 30 and 50 MGy. •Gamma radiation produced growth of the crystal size of the NZP. •Morphology changes were reversible by heating. •Linear relationship between the thermoluminescence and the applied gamma dose. •This property could be useful for high-level gamma dosimetry. -- Abstract: This work describes the synthesis and characterization of NaZr{sub 2}(PO{sub 4}){sub 3}. The stability of this material under high doses of gamma radiation was investigated in the range of 10–50 MGy. Samples of unaltered and gamma irradiated NaZr{sub 2}(PO{sub 4}){sub 3} were characterized by X-ray diffraction, infrared spectroscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy, and thermoluminescence. The results showed that while functional groups were not affected by the gamma irradiation, morphology changes were observed with increasing doses of gamma irradiation. The morphology of the non-irradiated compound is agglomerated flakes; however, irradiation at 10 MGy splits the flakes inducing the formation of well-defined cubes. Gamma irradiation induced the crystal size of the NaZr{sub 2}(PO{sub 4}){sub 3} to grow. The heat treatment (973 K) of samples irradiated at 50 MGy resulted in the recovery of the original morphology. Furthermore, the thermoluminescence analysis of the irradiated compound is reported.

  7. Assessing the relationship between the Driver Behavior Questionnaire and the Driver Skill Inventory: Revealing sub-groups of drivers

    DEFF Research Database (Denmark)

    Martinussen, Laila Marianne; Møller, Mette; Prato, Carlo Giacomo

    2014-01-01

    The Driver Behavior Questionnaire and the Driver Skill Inventory are two of the most frequently used measures of self-reported driving style and driving skill. The motivation behind the present study was to identify sub-groups of drivers that potentially act dangerously in traffic (as measured...... self-reported driving skills and whether the reported skill level was reflected in the reported aberrant driving behaviors. 3908 drivers aged 18–84 participated in the survey. K-means cluster analysis revealed four distinct sub-groups that differed in driving skills and frequency of aberrant driving...... by frequency of aberrant driving behaviors and level of driving skills), as well as to test whether the sub-groups differ in characteristics such as age, gender, annual mileage and accident involvement. Furthermore, the joint analysis of the two instruments was used to test drivers’ assessment of their own...

  8. Structural chemistry and magnetic properties of the perovskite Sr{sub 3}Fe{sub 2}TeO{sub 9}

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Yawei; Hunter, Emily C. [Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Battle, Peter D., E-mail: peter.battle@chem.ox.ac.uk [Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Sena, Robert Paria; Hadermann, Joke [EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Avdeev, Maxim [Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); Cadogan, J.M. [School of Physical, Environmental and Mathematical Sciences, UNSW Canberra at the Australian Defence Force Academy, Canberra BC 2610 (Australia)

    2016-10-15

    A polycrystalline sample of perovskite-like Sr{sub 3}Fe{sub 2}TeO{sub 9} has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mössbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. The majority of the reaction product is shown to be a trigonal phase with a 2:1 ordered arrangement of Fe{sup 3+} and Te{sup 6+} cations. However, the sample is prone to nano-twinning and tetragonal domains with a different pattern of cation ordering exist within many crystallites. Antiferromagnetic ordering exists in the trigonal phase at 300 K and Sr{sub 3}Fe{sub 2}TeO{sub 9} is thus the first example of a perovskite with 2:1 trigonal cation ordering to show long-range magnetic order. At 300 K the antiferromagnetic phase coexists with two paramagnetic phases which show spin-glass behaviour below ~80 K. - Graphical abstract: Sr{sub 3}Fe{sub 2}TeO{sub 9} has a 2:1 ordered arrangement of Fe{sup 3+} and Te{sup 6+} cations over the octahedral sites of a perovskite structure and is antiferromagnetic at room temperature. - Highlights: • 2:1 Cation ordering in a trigonal perovskite. • Magnetically ordered trigonal perovskite. • Intergrowth of nanodomains in perovskite microstructure.

  9. Lead nitroprusside: A new precursor for the synthesis of the multiferroic Pb{sub 2}Fe{sub 2}O{sub 5,} an anion-deficient perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Gil, Diego M. [Instituto de Química Inorgánica, Facultad de Bioquímica, Química y Farmacia, Universidad Nacional de Tucumán, Ayacucho 471, 4000 San Miguel de Tucumán (Argentina); Nieva, Gladys [Centro Atómico Bariloche, Instituto Balseiro, Comisión Nacional de Energía Atómica, Universidad Nacional de Cuyo, 8400 San Carlos de Bariloche (Argentina); Franco, Diego G. [Centro Atómico Bariloche, Instituto Balseiro, Comisión Nacional de Energía Atómica, Universidad Nacional de Cuyo, 8400 San Carlos de Bariloche (Argentina); Instituto de Investigaciones en Fisicoquímica de Córdoba (INFIQC – CONICET), Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, X5000HUA Córdoba (Argentina); Gómez, María Inés [Instituto de Química Inorgánica, Facultad de Bioquímica, Química y Farmacia, Universidad Nacional de Tucumán, Ayacucho 471, 4000 San Miguel de Tucumán (Argentina); and others

    2013-08-15

    In order to investigate the formation of multiferroic oxide Pb{sub 2}Fe{sub 2}O{sub 5}, the thermal decomposition of Pb[Fe(CN){sub 5}NO] has been studied. The complex precursor and the thermal decomposition products were characterized by IR and Raman spectroscopy, thermal analysis, powder X-ray diffraction (PXRD), scanning electron microscopy and magnetic measurements. The crystal structure of Pb[Fe(CN){sub 5}NO] was refined by Rietveld analysis. It crystallizes in the orthorhombic system, space group Pnma. The thermal decomposition in air produces highly pure Pb{sub 2}Fe{sub 2}O{sub 5} as final product. This oxide is an anion deficient perovskite with an incommensurate superstructure. The magnetic measurements confirm that Pb{sub 2}Fe{sub 2}O{sub 5} shows a weak ferromagnetic signal probably due to disorder in the perfect antiferromagnetic structure or spin canting. The estimated ordering temperature from the fit of a phenomenological model was 520 K. The SEM images reveal that the thermal decomposition of Pb[Fe(CN){sub 5}NO] produces Pb{sub 2}Fe{sub 2}O{sub 5} with small particle size. - Highlights: • Pb[Fe(CN){sub 5}NO] was synthesized and characterized. • Pb[Fe(CN){sub 5}NO] belongs to orthorhombic crystal system, space group Pnma. • Pb{sub 2}Fe{sub 2}O{sub 5} was obtained by thermal decomposition of Pb[Fe(CN){sub 5}NO]. • Pb{sub 2}Fe{sub 2}O{sub 5} is a weak ferromagnet due to spin canting. • Ordering temperature of Pb{sub 2}Fe{sub 2}O{sub 5} from the fit of a phenomenological model was 520 K. - Graphical abstract: Field cooling (FC) and zero field cooling (ZFC) magnetization curves at H = 10 and 1000 Oe for Pb{sub 2}Fe{sub 2}O{sub 5} obtained at 750 °C. Remnant magnetization after applying H = 1 T, FC procedure at 0.8 Oe. The fitted expression (see text) yield an ordering temperature T{sub o} = 520 K. Display Omitted.

  10. Two superstructures of Ce{sub 3}Rh{sub 4}Ge{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Vosswinkel, Daniel; Hoffmann, Rolf-Dieter [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Svitlyk, Volodymyr [European Synchrotron Radiation Facility, Grenoble (France); and others

    2018-04-01

    Two different samples of Ce{sub 3}Rh{sub 4}Ge{sub 4} were synthesized from different starting compositions by melting of the elements in an arc-melting furnace followed by annealing sequences in a sealed tantalum ampoule in a muffle furnace. The structures of two different stacking variants were refined on the basis of temperature dependent single-crystal X-ray diffractometer data. At high temperature Ce{sub 3}Rh{sub 4}Ge{sub 4} adopts the U{sub 3}Ni{sub 4}Si{sub 4} type structure with strongly enhanced anisotropic displacement parameters for the Rh1 atoms. For the two different crystals, additional reflections start to appear at different temperatures. The first crystal showed additional reflections already at room temperature (stacking variant I) and the second one showed additional reflections emerging below 270 K (stacking variant II). Stacking variant I could be described with the (3+1)D superspace group I2/m(α0γ)00; α=1/2a*, γ=1/2c*; (Z=2), 1252 F{sup 2} values, 48 variables, wR=0.0306 for the main and wR=0.0527 for 440 1{sup st} order satellite reflections, similar to Pr{sub 3}Rh{sub 4}Ge{sub 4}. For stacking variant II the (3+1)D superspace group is Immm(α00)00s; α=1/2a*; (Z=2). The structure could be refined with 1261 F{sup 2} values, 53 variables and residuals of wR=0.0331 for the main reflections and wR=0.1755 (R1{sub obs}=0.0788) for the 1{sup st} order satellite reflections, [a=406.2(1), b=423.7(1) and c=2497.1(1) pm]. The commensurate description could be transformed to a three-dimensional (3D) supercell with space group Pnma and Z=4: a=812.5(1), b=423.7(1), c=2497.1(2) pm, 1261 F{sup 2} values, 69 variables and wR=0.0525. The relation of the U{sub 3}Ni{sub 4}Si{sub 4} type structure, the (3+1)D modulated and the 3D supercells are discussed on the basis of group-subgroup schemes. Ab initio electronic structure calculations are in line with the diffraction experiments, revealing the lowest total energy for the Pnma phase.

  11. Synthesis and characterization of two polyoxometalates consisting of different Cu-ligand hydrogen phosphate units

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Jinshuang; Zhao, Xiaofang; Huang, Jiao; Gong, Kaining; Han, Zhangang, E-mail: hanzg116@126.com; Zhai, Xueliang, E-mail: xlzhai253@mail.hebtu.edu.cn

    2014-03-15

    Two polyoxometalates [(Cu-mbpy){sub 4}(HPO{sub 4}){sub 2}(H{sub 2}O){sub 2}][PMo{sub 12}O{sub 40}]·H{sub 2}O (1) and [(Cu-mbpy){sub 6}(HPO{sub 4}){sub 4}][PW{sub 12}O{sub 40}]·4H{sub 2}O (2) (mbpy=4,4'-dimethyl-2,2'-dipyridyl in 1; 5,5″-dimethyl-2,2'-dipyridyl in 2) have been synthesized and characterized by IR, X-ray powder diffraction, TG analysis and electrochemical property. The structural features of 1–2 are in their cationic moieties consisting of different linkages of [Cu-mbpy]{sup 2+} and HPO{sub 4}{sup 2−} groups. In 1 four Cu-mbpy bridged by two HPO{sub 4}{sup 2−} ions form a discrete cluster with an interesting octahedron of (Cu{sub 4}P{sub 2}), while in 2 Cu-mbpy fragments are bridged by HPO{sub 4}{sup 2−} ions into 1D structure consisting of trigonal bipyramidal polyhedra of (Cu{sub 3}P{sub 2}). Photocatalytic experiments indicate that compounds 1 and 2 are actively photocatalytic for degradation of methyl orange in the presence of H{sub 2}O{sub 2} under UV light irradiation. -- Graphical abstract: Two polyoxometalate-based supramolecular compounds consisting of different linkages based on Cu-ligand and HPO{sub 4}{sup 2−} groups have been synthesized and characterized. The photocatalytic activity are studied. Highlights: • Two polyoxometalate-based supramolecular compounds consisting of different linkages based on Cu-ligand and HPO{sub 4}{sup 2−} groups have been synthesized. • Hydrogen bonding and π…π interactions play important roles in constructing crystal supramolecular frameworks. • Two compounds represent a high photocatalytic activity in the degradation of methyl orange.

  12. Properties of the (Sm sub 0 sub . sub 3 sub 3 Eu sub 0 sub . sub 3 sub 3 Gd sub 0 sub . sub 3 sub 3)Ba sub 2 Cu sub 3 O sub y superconductor prepared by different processes in air

    CERN Document Server

    Giovannelli, F; Monot-Laffez, I

    2003-01-01

    Bars and pellets of the (Sm sub 0 sub . sub 3 sub 3 Eu sub 0 sub . sub 3 sub 3 Gd sub 0 sub . sub 3 sub 3)Ba sub 2 Cu sub 3 O sub x superconductor were processed in air, using the floating zone method and the top-seeded melt-textured growth method, respectively. The samples were prepared using different experimental conditions, i.e. maximal processing temperature, translation rate or cooling rate. Their physical properties and their microstructure were studied. All the samples exhibit a satisfying superconducting transition whereas the critical current density greatly depends on the processing parameters. The sample prepared by the floating zone method at 1070 deg C with a translation rate of 2 mm h sup - sup 1 exhibits a very high J sub c value of 70000 A cm sup - sup 2 in the self-field and more than 30000 A cm sup - sup 2 at 1.7 T. The pellet processed at 1080 deg C with a cooling rate of 2 deg C h sup - sup 1 has a high J sub c reaching about 56000 A cm sup - sup 2 in the self-field and more than 32000 A ...

  13. Synchrotron-based XRD from rat bone of different age groups

    Energy Technology Data Exchange (ETDEWEB)

    Rao, D.V., E-mail: dvrao_9@yahoo.com [Science Based Applications to Engineering (SBAI), Physics Division, University of Rome “La Sapienza”, Via Scarpa 10, 00161 Roma (Italy); Gigante, G.E. [Science Based Applications to Engineering (SBAI), Physics Division, University of Rome “La Sapienza”, Via Scarpa 10, 00161 Roma (Italy); Cesareo, R.; Brunetti, A. [Istituto di Matematica e Fisica, Università di Sassari, Via Vienna 2, 07100 Sassari (Italy); Schiavon, N. [Hercules Laboratory, University of Evora (Portugal); Akatsuka, T.; Yuasa, T. [Department of Bio-System Engineering, Faculty of Engineering, Yamagata University, Yonezawa-shi, Yamagata 992-8510 (Japan); Takeda, T. [Allied Health Science, Kitasato University, 1-15-1 Kitasato, Sagamihara, Kanagawa 228-8555 (Japan)

    2017-05-01

    Synchrotron-based XRD spectra from rat bone of different age groups (w, 56 w and 78w), lumber vertebra at early stages of bone formation, Calcium hydroxyapatite (HAp) [Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}] bone fill with varying composition (60% and 70%) and bone cream (35–48%), has been acquired with 15 keV synchrotron X-rays. Experiments were performed at Desy, Hamburg, Germany, utilizing the Resonant and Diffraction beamline (P9), with 15 keV X-rays (λ = 0.82666 A{sup 0}). Diffraction data were quantitatively analyzed using the Rietveld refinement approach, which allowed us to characterize the structure of these samples in their early stages. Hydroxyapatite, received considerable attention in medical and materials sciences, since these materials are the hard tissues, such as bone and teeth. Higher bioactivity of these samples gained reasonable interest for biological application and for bone tissue repair in oral surgery and orthopedics. The results obtained from these samples, such as phase data, crystalline size of the phases, as well as the degree of crystallinity, confirm the apatite family crystallizing in a hexagonal system, space group P6{sub 3}/m with the lattice parameters of a = 9.4328 Å and c = 6.8842 Å (JCPDS card #09-0432). Synchrotron-based XRD patterns are relatively sharp and well resolved and can be attributed to the hexagonal crystal form of hydroxyapatite. All the samples were examined with scanning electron microscope at an accelerating voltage of 15 kV. The presence of large globules of different sizes is observed, in small age groups of the rat bone (8w) and lumber vertebra (LV), as distinguished from, large age groups (56 and 78w) in all samples with different magnification, reflects an amorphous phase without significant traces of crystalline phases. Scanning electron microscopy (SEM) was used to characterize the morphology and crystalline properties of Hap, for all the samples, from 2 to 100 μm resolution. - Highlights: • For

  14. ZnFe{sub 2}O{sub 4} antiferromagnetic structure redetermination

    Energy Technology Data Exchange (ETDEWEB)

    Kremenović, Aleksandar, E-mail: akremenovic@rgf.bg.ac.rs [Laboratory for Crystallography, Faculty of Mining and Geology, University of Belgrade, Đušina 7, Belgrade 11000 (Serbia); Antić, Bratislav [Condensed Matter Physics Laboratory, Institute of Nuclear Sciences “Vinča”, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Vulić, Predrag [Laboratory for Crystallography, Faculty of Mining and Geology, University of Belgrade, Đušina 7, Belgrade 11000 (Serbia); Blanuša, Jovan [Condensed Matter Physics Laboratory, Institute of Nuclear Sciences “Vinča”, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Tomic, Aleksandra [Condensed Matter Physics Laboratory, Institute of Nuclear Sciences “Vinča”, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, 10027 (United States)

    2017-03-15

    Magnetic structure of ZnFe{sub 2}O{sub 4} normal spinel is re-examined. Antiferromagnetic structure non-collinear model is established within C{sub a}2 space group having four different crystallographic/magnetic sites for 32 Fe{sup 3+} spins within magnetic unit cell. - Highlights: • Magnetic structure of ZnFe{sub 2}O{sub 4} normal spinel is re-examined. • Antiferromagnetic non-collinear structure model is established within C{sub a}2 space group. • Four different crystallographic/magnetic sites contain 32 Fe{sup 3+} spins within magnetic unit cell.

  15. Structural studies of the rhombohedral and orthorhombic monouranates: CaUO{sub 4}, α-SrUO{sub 4}, β-SrUO{sub 4} and BaUO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, Gabriel [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Kennedy, Brendan J., E-mail: kennedyb@chem.usyd.edu.au [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Johannessen, Bernt; Kimpton, Justin A. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia); Avdeev, Maxim; Griffith, Christopher S.; Thorogood, Gordon J.; Zhang, Zhaoming [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia)

    2016-05-15

    The structures of some AUO{sub 4} (A=Ca, Sr, or Ba) oxides have been determined using a combination of neutron and synchrotron X-ray diffraction, supported by X-ray absorption spectroscopic measurements at the U L{sub 3}-edge. The smaller Ca cation favours a rhombohedral AUO{sub 4} structure with 8-coordinate UO{sub 8} moieties whilst an orthorhombic structure based on UO{sub 6} groups is found for BaUO{sub 4}. Both the rhombohedral and orthorhombic structures can be stabilised for SrUO{sub 4}. The structural studies suggest that the bonding requirements of the A site cation play a significant role in determining which structure is favoured. In the rhombohedral structure, Bond Valence Sums demonstrate the A site is invariably overbonded, which, in the case of rhombohedral α-SrUO{sub 4}, is compensated for by the formation of vacancies in the oxygen sub-lattice. The uranium cation, with its flexible oxidation state, is able to accommodate this by inducing vacancies along its equatorial coordination site as demonstrated by neutron powder diffraction. - Graphical abstract: Diffraction studies of AUO{sub 4} (A = Ca, Sr, or Ba) oxides reveal the importance of the bonding requirements of the A site cation in determining whether the structure is rhombohedral or orthorhombic. - Highlights: • Structures of AUO{sub 4} ( A = Ca Sr, Ba) refined against X-ray and Neutron diffraction. • The alkali cations size has a dramatic effect on the crystal structure. • Smaller cations favouring a rhombohedral structure. • Oxygen vacancies to stabilise the rhombohedral structure in SrUO{sub 4}.

  16. Computer graphics from basic to application

    International Nuclear Information System (INIS)

    Kim, Do Hyeong; Mun, Sung Min

    1998-04-01

    This book mentions conception of computer graphics, background history, necessity and applied field like construction design, image processing, auto mobile design, fashion design and TV broadcast, basic principle of computer, computer graphics hardware, computer graphics software such as adobe illustrator tool box and adobe photo shop, quarkXpress like introduction, application and operating circumstance, 3D graphics with summary, difference of versions of 3D studio and system, and Auto CAD application.

  17. Computer graphics from basic to application

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Do Hyeong; Mun, Sung Min

    1998-04-15

    This book mentions conception of computer graphics, background history, necessity and applied field like construction design, image processing, auto mobile design, fashion design and TV broadcast, basic principle of computer, computer graphics hardware, computer graphics software such as adobe illustrator tool box and adobe photo shop, quarkXpress like introduction, application and operating circumstance, 3D graphics with summary, difference of versions of 3D studio and system, and Auto CAD application.

  18. Interplay between crystal and magnetic structures in YFe{sub 2}(H{sub α}D{sub 1−α}){sub 4.2} compounds studied by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Paul-Boncour, V., E-mail: paulbon@icmpe.cnrs.fr [Université de Paris Est, ICMPE, CNRS-UPEC, UMR7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Guillot, M. [LNCMI, CNRS, BP166, 38042 Grenoble Cedex 9 (France); Isnard, O. [CNRS, Institut Néel, 38042 Grenoble (France); Univ. Grenoble Alpes, Inst. Néel, 38042 Grenoble (France); Ouladdiaf, B. [Institut Laue Langevin, 71 avenue des Martyrs, 38042 Grenoble Cedex 9 (France); Hoser, A. [Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, D-141 09 Berlin (Germany); Hansen, T. [Institut Laue Langevin, 71 avenue des Martyrs, 38042 Grenoble Cedex 9 (France); Stuesser, N. [Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, D-141 09 Berlin (Germany)

    2017-01-15

    We report a detailed magnetic structure investigation of YFe{sub 2}(H{sub α}D{sub 1−α}){sub 4.2} (α=0, 0.64, 1) compounds presenting a strong (H,D) isotope effect by neutron diffraction and Mössbauer spectroscopy analysis. They crystallize in the same monoclinic structure (Pc space group) with 8 inequivalent Fe sites having different H(D) environment. At low temperature, the compounds are ferromagnetic (FM) and show an easy magnetization axis perpendicular to the b axis and only slightly tilted away from the c axis. Upon heating, they display a first order transition from a ferromagnetic towards an antiferromagnetic (AFM) structure at T{sub M0} which is sensitive to the H/D isotope nature. The AFM cell is described by doubling the crystal cell along the monoclinic b axis. It presents an unusual coexistence of non magnetic Fe layer sandwiched by two thicker ferromagnetic Fe layers which are antiparallel to each other. This FM-AFM transition is driven by the loss of ordered moment on one Fe site (Fe7) through an itinerant electron metamagnetic (IEM) behaviour. The key role of the Fe7 position is assigned to both its hydrogen rich atomic environment and its geometric position. Above T{sub M0} a field induced metamagnetic transition is observed from the AFM towards the FM structure accompanied by a cell volume increase. Both thermal and magnetic field dependence of the magnetic structure are found strongly related to the anisotropic cell distortion induced by (H,D) order in interstitial sites. - Graphical abstract: Representation of the FM-AFM magnetic structures of YFe{sub 2}D{sub 4.2} deuteride. - Highlights: • YFe{sub 2}(H,D){sub 4.2} compounds undergoes a isotope sensitive FM-AFM transition at T{sub M0}. • The FM structure is formed of Fe moments perpendicular to the monoclinic b axis. • AFM structure is formed by antiparallel Fe layers separated by non-magnetic Fe layer. • One Fe site among eight loses its moment at T{sub M0} due to larger Fe

  19. Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3−δ} (Me = Fe, Mn)

    Energy Technology Data Exchange (ETDEWEB)

    Niwa, Eiki, E-mail: e-niwa@phys.chs.nihon-u.ac.jp [Department of Physics, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550 (Japan); Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550 (Japan); Maeda, Hiroki; Uematsu, Chie [Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550 (Japan); Hashimoto, Takuya [Department of Physics, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550 (Japan); Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550 (Japan)

    2015-10-15

    Graphical abstract: Compositional dependence of (a) electrical conductivity and (b) E{sub a} for hopping conduction of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn). - Highlights: • Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn) was investigated. • Hopping conduction model could be applied for conductivity of both specimens. • The difference of E{sub a} due to that of energy level of Fe and Mn was observed. • Hole concentration estimated by iodimetry increases with increasing Ni content. - Abstract: Electrical conduction mechanism of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} expected as Sr-free new cathode material for solid oxide fuel cells was analyzed. Electrical conduction behaviors of both specimens could be well fitted by small polaron hopping conduction model. The electrical conductivity of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} increased with increasing Ni content, showing agreement with decrease of activation energy for hopping conduction. The decrease of electrical conductivity and increase of activation energy of LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} were observed with increasing Ni content for 0.0 ≤ x ≤ 0.4. Further Ni substitution increased electrical conductivity and decreased activation energy for 0.4 ≤ x ≤ 0.6. It was revealed using iodometry that the difference of hole carrier density between LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} was small. It was suspected that the origin of the difference of electrical conduction behavior of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1-x}O{sub 3+δ} was difference of energy level of e{sub g} band composed of Fe 3d or Mn 3d orbitals and their overlapping quantity with O 2p and Ni 3d band.

  20. Preparation and characterization of magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts for biodiesel production

    Energy Technology Data Exchange (ETDEWEB)

    Feyzi, Mostafa, E-mail: Dalahoo2011@yahoo.com [Faculty of Chemistry, Razi University, P. O. Box: 6714967346, Kermanshah (Iran, Islamic Republic of); Nanoscience and Nanotechnology Research Center (NNRC), Razi University, P. O. Box: 6714967346, Kermanshah (Iran, Islamic Republic of); Nourozi, Leila [Faculty of Chemistry, Razi University, P. O. Box: 6714967346, Kermanshah (Iran, Islamic Republic of); Zakarianezhad, Mohammad [Department of Chemistry, Payam Noor University, Tehran (Iran, Islamic Republic of)

    2014-12-15

    Graphical abstract: In this study, a series of magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts were prepared and tested for biodiesel production. The best operational conditions were CH3OH/oil = 12/1 at 60 °C with mechanical stirring, the biodiesel yield reaches to 81% in 4 h. Also notably, recovery of the catalyst can be achieved easily with the help of an external magnet with no need for expensive ultracentrifugation. - Highlights: • Effects of preparation conditions for biodiesel production were studied. • The CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} catalyst is efficient catalyst for biodiesel production. • The reaction conditions were found methanol/oil = 12/1, T = 60 °C. - Abstract: The magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts were prepared via combination of sol–gel and impregnation methods. The effects of different H{sub 3}PW{sub 12}O{sub 40}/(Fe–SiO{sub 2}) weight percentage, loading of Cs as a promotor and calcination conditions on the catalytic performance has been studied. It was found that the catalyst with H{sub 3}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} = 4 wt.% and Cs = 2 wt.% is an optimal catalyst for biodiesel production. The activity of optimal catalyst was studied in different operational conditions. The best operational conditions were CH{sub 3}OH/oil = 12/1 at 60 °C with mechanical stirring rate of 500 rpm and the biodiesel yield reaches to 81% in 4 h. Characterization of catalysts was carried out by using scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform-infrared spectroscopy (FT-IR), vibrating sample magnetometry (VSM), N{sub 2} adsorption–desorption measurements methods, Thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC)

  1. High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

    2015-10-30

    Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

  2. Effect of freeze-drying and self-ignition process on the microstructural and electrochemical properties of Li{sub 4}Ti{sub 5}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Jamin, Claire [GREEnMat/LCIS, Department of Chemistry, B6a, University of Liège, Sart-Tilman, 4000 Liège (Belgium); Traina, Karl [GREEnMat/LCIS, Department of Chemistry, B6a, University of Liège, Sart-Tilman, 4000 Liège (Belgium); APTIS, Department of Physics, B5a, University of Liège, Sart-Tilman, 4000 Liège (Belgium); Eskenazi, David [Chemical Engineering Laboratory, Department of Applied Chemistry, B6a, University of Liège, Sart-Tilman, 4000 Liège (Belgium); Krins, Natacha; Cloots, Rudi; Vertruyen, Bénédicte [GREEnMat/LCIS, Department of Chemistry, B6a, University of Liège, Sart-Tilman, 4000 Liège (Belgium); Boschini, Frédéric, E-mail: frederic.boschini@ulg.ac.be [GREEnMat/LCIS, Department of Chemistry, B6a, University of Liège, Sart-Tilman, 4000 Liège (Belgium); APTIS, Department of Physics, B5a, University of Liège, Sart-Tilman, 4000 Liège (Belgium)

    2013-11-15

    Graphical abstract: - Highlights: • Li{sub 4}Ti{sub 5}O{sub 12} is prepared by a method involving self-ignition of a freeze-dried gel. • Addition of NH{sub 4}NO{sub 3} modifies the self-ignition propagation mode. • Well-crystallized Li{sub 4}Ti{sub 5}O{sub 12} phase is obtained after only 2 h at 800 °C. • Li{sub 4}Ti{sub 5}O{sub 12} powder has 161 mAh g{sup −1} capacity and good retention at C/4 rate. - Abstract: Crystalline Li{sub 4}Ti{sub 5}O{sub 12} is synthesized by a method involving the freeze-drying and self-ignition of a gel prepared from titanium isopropoxide, lithium nitrate and hydroxypropylmethylcellulose (HPMC). This synthesis route yields crystalline Li{sub 4}Ti{sub 5}O{sub 12} particles after calcination at 800 °C for 2 h. In an alternative route, addition of ammonium nitrate shifts the self-ignition mode from wave-like propagation to simultaneous. Powders with different microstructures are thereby obtained. Electrochemical characterization shows that the best results for Li{sup +} intercalation/desintercalation are obtained for the powder prepared without ammonium nitrate addition. These results highlight the necessity for a control of the self-ignition mode to obtain adequate properties.

  3. What Does It Take to Be a Successful Graphic Designer: A Phenomenological Study on Graphic Design Curriculum

    Science.gov (United States)

    Beller, Shannon

    2017-01-01

    This study examined the phenomenon of what it takes to be a successful graphic designer. With an identity crisis in graphic design education, design curriculum is faced with uncertainties. With the diversity of programs and degrees in graphic design, the competencies and skills developed among the various programs reflect different purposes, thus…

  4. Ternary CaCu{sub 4}P{sub 2}-type pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb)

    Energy Technology Data Exchange (ETDEWEB)

    Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C. [Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada)

    2012-08-15

    Four ternary pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb) were prepared by reactions of the elements at 850 Degree-Sign C and their crystal structures were determined from single-crystal X-ray diffraction studies. These silver-containing pnictides AAg{sub 4}Pn{sub 2} adopt the trigonal CaCu{sub 4}P{sub 2}-type structure (Pearson symbol hR21, space group R3-bar m, Z=3; a=4.5555(6) A, c=24.041(3) A for SrAg{sub 4}As{sub 2}; a=4.5352(2) A, c=23.7221(11) A for EuAg{sub 4}As{sub 2}; a=4.7404(4) A, c=25.029(2) A for SrAg{sub 4}Sb{sub 2}; a=4.7239(3) A, c=24.689(2) A for EuAg{sub 4}Sb{sub 2}), which can be derived from the trigonal CaAl{sub 2}Si{sub 2}-type structure of the isoelectronic zinc-containing pnictides AZn{sub 2}Pn{sub 2} by insertion of additional Ag atoms into trigonal planar sites within [M{sub 2}Pn{sub 2}]{sup 2-} slabs built up of edge-sharing tetrahedra. Band structure calculations on SrAg{sub 4}As{sub 2} and SrAg{sub 4}Sb{sub 2} revealed that these charge-balanced Zintl phases actually exhibit no gap at the Fermi level and are predicted to be semimetals. - Graphical abstract: SrAg{sub 4}As{sub 2} and related pnictides adopt a CaCu{sub 4}P{sub 2}-type structure in which additional Ag atoms enter trigonal planar sites within slabs built from edge-sharing tetrahedra. Highlights: Black-Right-Pointing-Pointer AAg{sub 4}Pn{sub 2} are the first Ag-containing members of the CaCu{sub 4}P{sub 2}-type structure. Black-Right-Pointing-Pointer Ag atoms are stuffed in trigonal planar sites within CaAl{sub 2}Si{sub 2}-type slabs. Black-Right-Pointing-Pointer Ag-Ag bonding develops through attractive d{sup 10}-d{sup 10} interactions.

  5. Fast image interpolation for motion estimation using graphics hardware

    Science.gov (United States)

    Kelly, Francis; Kokaram, Anil

    2004-05-01

    Motion estimation and compensation is the key to high quality video coding. Block matching motion estimation is used in most video codecs, including MPEG-2, MPEG-4, H.263 and H.26L. Motion estimation is also a key component in the digital restoration of archived video and for post-production and special effects in the movie industry. Sub-pixel accurate motion vectors can improve the quality of the vector field and lead to more efficient video coding. However sub-pixel accuracy requires interpolation of the image data. Image interpolation is a key requirement of many image processing algorithms. Often interpolation can be a bottleneck in these applications, especially in motion estimation due to the large number pixels involved. In this paper we propose using commodity computer graphics hardware for fast image interpolation. We use the full search block matching algorithm to illustrate the problems and limitations of using graphics hardware in this way.

  6. Fabrication of hematite (α-Fe{sub 2}O{sub 3}) nanoparticles using electrochemical deposition

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Qingling; Wang, Zuobin, E-mail: wangz@cust.edu.cn; Chai, Xiangyu; Weng, Zhankun; Ding, Ran; Dong, Litong

    2016-04-15

    Graphical abstract: - Highlights: • Cathodic electrochemical deposition proposed to fabricate hematite nanoparticles. • Hematite nanoparticles were fabricated on indium-tin-oxide coated glass substrates. • The size and shape of nanoparticles were determined by deposition conditions. • The nanoparticles were well decentralized for different potential applications. • Electrochemical deposition is a useful approach in fabricating nanoparticles. - Abstract: In this work, cathodic electrochemical deposition was proposed to fabricate reproducible and homogeneous hematite (α-Fe{sub 2}O{sub 3}) nanoparticles on indium-tin-oxide (ITO) films. The α-Fe{sub 2}O{sub 3} nanoparticles, which were quasi-hexagonally shaped, were deposited in an aqueous mixture of FeCl{sub 2} and FeCl{sub 3} at the temperatures 16.5 °C, 40 °C and 60 °C. The electrochemically deposited α-Fe{sub 2}O{sub 3} nanoparticles showed excellent stability and good crystallinity. The α-Fe{sub 2}O{sub 3} nanoparticles were characterized by Raman spectroscope and X-ray diffractometer (XRD). A scanning electron microscope (SEM) was used to measure the size and shape of the nanoparticles. The experiment results have shown that the size and shape of nanoparticles were determined by electrochemical deposition conditions including the deposition time, current density, reaction temperature and solution concentration. The proposed electrochemical deposition method has been proven to be a cost-effective, environment friendly and highly efficient approach in fabricating well decentralized α-Fe{sub 2}O{sub 3} nanoparticles for different potential applications.

  7. A fresnoite-structure-related mixed valent titanium(III/IV) chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl: A flux crystal growth route to Ti(III) containing oxides

    Energy Technology Data Exchange (ETDEWEB)

    Abeysinghe, Dileka; Smith, Mark D.; Loye, Hans-Conrad zur, E-mail: zurloye@mailbox.sc.edu

    2017-06-15

    Single crystals of mixed valent barium titanium(III/IV) chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09}, were grown in a high temperature molten chloride flux involving an in situ reduction step. The fresnoite structure related Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09} crystallizes in the tetragonal space group P4/mbm with lattice parameters of a=8.6717(2) Å, c=18.6492(5) Å. The title compound exhibits a 3D structure consisting of 2D layers of fused Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} groups and 2D layers of fused Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} groups that are linked via barium atoms. The in situ reduction of Ti(IV) to Ti(III) is achieved via the addition of metallic Mg to the flux to function as the reducing agent. The temperature dependence of the magnetic susceptibility shows simple paramagnetism above 100 K. There is a discontinuity in the susceptibility data below 100 K, which might be due to a structural change that takes place resulting in charge ordering. - Graphical abstract: The fresnoite structure related novel reduced barium titanium chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09}, were synthesized via flux method. An in situ reduction of Ti(IV) to Ti(III) achieved using Mg metal. The 3D structure consists 2D layers of fused Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} and 2D layers of fused Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} connected via barium atoms. Compound shows simple paramagnetism above 100 K. - Highlights: • The fresnoite related Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09} were grown via molten flux method. • The in situ reduction of Ti(IV) to Ti(III) is achieved using metallic Mg. • 2D layers of Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} and Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} connect via Ba atoms. • The magnetic susceptibility shows simple paramagnetism above 100 K.

  8. The first 3D malonate bridged copper [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: Structure, properties and electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Seguatni, A., E-mail: seguatni@gmail.com [LBPC-INSERM U 698, Institut Galilee, Universite Paris XIII, 99, avenue J. B. Clement 93430, Villetaneuse (France); Fakhfakh, M. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada); Smiri, L.S. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Gressier, P.; Boucher, F. [Institut des Materiaux Jean Rouxel, Universite de Nantes, CNRS, 2 rue de la Houssiniere, BP 32229, 44322 Nantes Cedex 3 (France); Jouini, N. [Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada)

    2012-03-15

    A new inorganic-organic compound [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)-malonic acid-H{sub 2}O. Its framework is built up through carboxyl bridged copper where CuO{sub 6} octahedra are elongated with an almost D{sub 4h} symmetry (4+2) due to the Jahn-Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2-300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U{sub eff} value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: the first 3D hybrid organic-inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: Black-Right-Pointing-Pointer A new organic-inorganic material with an unprecedented topology is synthesized. Black-Right-Pointing-Pointer Crystallographic structure is determined using single crystal X-ray diffraction. Black-Right-Pointing-Pointer Electronic structure is obtained from DFT, GGA+U calculation. Black-Right-Pointing-Pointer Framework can be described as formed from CuC{sub 4} tetrahedron sharing four corners. Black-Right-Pointing-Pointer This structure can be classified as an extended diamond structure.

  9. A solid solution series of atacamite type Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Bette, Sebastian [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany); Dinnebier, Robert E. [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, Stuttgart 70569 (Germany); Röder, Christian [TU Bergakademie Freiberg, Institute of Theoretical Physics, Leipziger Strasse 23, Freiberg 09596 (Germany); Freyer, Daniela, E-mail: daniela.freyer@chemie.tu-freiberg.de [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany)

    2015-08-15

    For the first time a complete solid solution series Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3} of an atacamite type alkaline main group metal chloride, Mg{sub 2}Cl(OH){sub 3}, and a transition group metal chloride, Ni{sub 2}Cl(OH){sub 3}, was prepared and characterized by chemical and thermal analysis as well as by Raman and IR spectroscopy, and high resolution laboratory X-ray powder diffraction. All members of the solid solution series crystallize in space group Pnam (62). The main building units of these crystal structures are distorted, edge-linked Ni/MgO{sub 4}Cl{sub 2} and Ni/MgO{sub 5}Cl octahedra. The distribution of Ni{sup 2+}- and Mg{sup 2+}-ions among these two metal-sites within the solid solution series is discussed in detail. The crystallization of the solid solution phases occurs via an intermediate solid solution series, (Ni/Mg)Cl{sub 2x}(OH){sub 2−2x}, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}. For one isolated intermediate solid solution member, Ni{sub 0.70}Mg{sub 0.30}Cl{sub 0.58}(OH){sub 1.42}, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}, was synthesized and characterized. Structure solution by revealed that Ni{sup 2+} prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni{sup 2+} by Mg{sup 2+} in atacamite type Ni{sub 2}Cl(OH){sub 3} results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+} and other divalent transition metal ions, as described in literature, were identified as separate compounds. - Highlights: • First synthesis of solid solution series between main and transition metal chloride. • Ni{sup 2+} prefers to occupy Jahn–Teller-like distorted octahedral holes

  10. SrBeB{sub 2}O{sub 5}: Growth, crystal structure and optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Wenjiao; Wang, Xiaoshan [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Huang, Hongwei [National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Xu, Tao; Jiang, Xingxing [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Wang, Xiaoyang [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Chen, Chuangtian [Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-04-01

    Graphical abstract: The crystal displays a layered configuration along c axis with the wrinkled infinite (BeB{sub 2}O{sub 5}){sub ∞} layers. Display Omitted - Highlights: • A new beryllium borate SrBeB{sub 2}O{sub 5} was synthesized. • A layered structure (BeB{sub 2}O{sub 5}){sub ∞} was formed by BO{sub 3} triangles and B/BeO{sub 4} tetrahedrons. • SrBeB{sub 2}O{sub 5} has a very wide transparency range of wavelengths from 200 nm to 1800 nm. • A-site ions impact greatly on the structures of beryllium borates. - Abstract: A novel beryllium borate SrBeB{sub 2}O{sub 5} is discovered for the first time through traditional solid state reaction and high temperature solution method. The framework of the structure is composed by two-dimensional [BeB{sub 2}O{sub 5}] layers determined from single-crystal X-ray diffraction data. The further structural analysis of beryllium borates reveals that the arrangement of anionic groups attributes to the structural stability. Moreover, the influences of the A-site cations on the structural features of fundamental building blocks in the alkaline or alkaline earth beryllium borates are discussed. The UV–Vis–NIR diffuse-reflectance pattern reveals that this compound has a very wide transparency range of wavelengths down to 200 nm. In addition, the properties of SrBeB{sub 2}O{sub 5} were also characterized by powder X-ray diffraction, differential scanning calorimetry, and IR spectroscopy.

  11. High temperature neutron powder diffraction study of the Cu{sub 12}Sb{sub 4}S{sub 13} and Cu{sub 4}Sn{sub 7}S{sub 16} phases

    Energy Technology Data Exchange (ETDEWEB)

    Lemoine, Pierric, E-mail: pierric.lemoine@univ-rennes1.fr [Institut des Sciences Chimiques de Rennes, UMR-CNRS 6226, 263 Avenue du Général Leclerc, CS 74205, 35042 Rennes Cedex (France); Bourgès, Cédric; Barbier, Tristan [Laboratoire CRISMAT, UMR-CNRS 6508, ENSICAEN, 6 Boulevard du Maréchal Juin, 14050 Caen Cedex 04 (France); Nassif, Vivian [CNRS Institut NEEL, F-38000 Grenoble (France); Université de Grenoble Alpes, Institut NEEL, F-38000 Grenoble (France); Cordier, Stéphane [Institut des Sciences Chimiques de Rennes, UMR-CNRS 6226, 263 Avenue du Général Leclerc, CS 74205, 35042 Rennes Cedex (France); Guilmeau, Emmanuel [Laboratoire CRISMAT, UMR-CNRS 6508, ENSICAEN, 6 Boulevard du Maréchal Juin, 14050 Caen Cedex 04 (France)

    2017-03-15

    Ternary copper-containing sulfides Cu{sub 12}Sb{sub 4}S{sub 13} and Cu{sub 4}Sn{sub 7}S{sub 16} have attracted considerable interest since few years due to their high-efficiency conversion as absorbers for solar energy and promising thermoelectric materials. We report therein on the decomposition study of Cu{sub 12}Sb{sub 4}S{sub 13} and Cu{sub 4}Sn{sub 7}S{sub 16} phases using high temperature in situ neutron powder diffraction. Our results obtained at a heating rate of 2.5 K/min indicate that: (i) Cu{sub 12}Sb{sub 4}S{sub 13} decomposes above ≈792 K into Cu{sub 3}SbS{sub 3}, and (ii) Cu{sub 4}Sn{sub 7}S{sub 16} decomposes above ≈891 K into Sn{sub 2}S{sub 3} and a copper-rich sulfide phase of sphalerite ZnS-type structure with an assumed Cu{sub 3}SnS{sub 4} stoichiometry. Both phase decompositions are associated to a sulfur volatilization. While the results on Cu{sub 12}Sb{sub 4}S{sub 13} are in fair agreement with recent published data, the decomposition behavior of Cu{sub 4}Sn{sub 7}S{sub 16} differs from other studies in terms of decomposition temperature, thermal stability and products of reaction. Finally, the crystal structure refinements from neutron powder diffraction data are reported and discussed for the Cu{sub 4}Sn{sub 7}S{sub 16} and tetrahedrite Cu{sub 12}Sb{sub 4}S{sub 13} phases at 300 K, and for the high temperature form of skinnerite Cu{sub 3}SbS{sub 3} at 843 K. - Graphical abstract: In situ neutron powder diffraction data (heating rate of 2.5 K/min) indicates that (i) the ternary Cu{sub 12}Sb{sub 4}S{sub 13} phase is stable up to 792 K and decomposes at higher temperature into Cu{sub 3}SbS{sub 3} and Cu{sub 1.5}Sb{sub 0.5}S{sub 2}, and (ii) the Cu{sub 4}Sn{sub 7}S{sub 16} phase is stable up to 891 K and decomposes at higher temperature into Sn{sub 2}S{sub 3} and a cubic phase of sphalerite ZnS-type structure. Sulfur volatilization likely occurs in order to balance the overall stoichiometry.

  12. Synthesis and characterization of Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} pyrochlore sun-light-responsive photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Naceur, Benhadria, E-mail: nacer1974@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Abdelkader, Elaziouti, E-mail: elaziouti_a@yahoo.com [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Dr Moulay Tahar University, Saida (Algeria); Nadjia, Laouedj, E-mail: nlaouedj@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Dr Moulay Tahar University, Saida (Algeria); Sellami, Mayouf, E-mail: Mourad7dz@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Noureddine, Bettahar, E-mail: nbettahar2001@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria)

    2016-02-15

    Graphical abstract: Heterogeneous photo Fenton process with dye sensitized mechanism of RhB by Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} compound. - Highlights: • Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} (BSCO) catalyst was synthesized by improved solid state reaction method. • BSCO/H{sub 2}O{sub 2}/UVA and BSCO/H{sub 2}O{sub 2}/SL catalyst systems exhibit excellent photocatalytic activities for rhodamine B. • The photocatalytic degradation was preceded via heterogeneous photo Fenton mechanism process. • ·OH radicals are the main reactive species for the degradation of RhB. - Abstract: Novel nanostructure pyrochlore Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} was successfully synthesized via solid state reaction method in air. The as-synthesized photocatalyst was characterized by X-ray diffraction, Scanning electron microscopy and UV–vis diffuse reflectance spectroscopy techniques. The results showed that the BSCO was crystallized with the pyrochlore-type structure, cubic crystal system and space group Fd3m. The average particle size and band gap for BSCO were D = 76.29 nm and E{sub g} = 1.50 eV respectively. Under the optimum conditions for discoloration of the dye: initial concentration of 20 mg L{sup −1} RhB, pH 7, 25 °C, 0.5 mL H{sub 2}O{sub 2} and BSCO/dye mass ration of 1 g L{sup −1}, 97.77 and 90.16% of RhB were removed with BSCO/H{sub 2}O{sub 2} photocatalytic system within 60 min of irradiation time under UVA- and SL irradiations respectively. Pseudo-second-order kinetic model gave the best fit, with highest correlation coefficients (R{sup 2} ≥ 0.99). On the base of these results, the mechanism of the enhancement of the discoloration efficiency was discussed. .

  13. Structural and optical properties of Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nano ferrites: Effect of sintering temperature

    Energy Technology Data Exchange (ETDEWEB)

    Thakur, Prashant, E-mail: prashant007thakur@gmail.com; Sharma, Rohit; Sharma, Vineet, E-mail: vineet.sharma@juiit.ac.in; Sharma, Pankaj, E-mail: pankaj.sharma@juit.ac.in

    2017-06-01

    Mn-Zn ferrites have shown various remarkable applications e.g. in magnetic amplifiers, power transformers and electromagnetic interference etc. due to their high initial permeability. Mn–Zn ferrite powder (Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}) has been prepared by the co-precipitation method and subsequently sintered at three different temperatures i.e. 973 K, 1173 K, 1373 K. Optical properties have been correlated with the structural properties. For structural properties X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) and Fourier transform infrared spectroscopy (FTIR) have been employed. It has been observed that there is an increase in crystallite size with sintering from 973 K to 1373 K and FTIR confirms the formation of bond between metal ion and oxygen ion at the octahedral site and tetrahedral site. A red shift has been confirmed from UV–visible absorption spectra and photoluminescence spectra have been reported with an increase in sintering temperature. - Graphical abstract: Mn–Zn ferrite powder (Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}) has been prepared by the co-precipitation method and subsequently sintered at three different temperatures i.e. 973 K, 1173 K, 1373 K. A red shift has been confirmed from UV–visible absorption spectra and photoluminescence spectra have been reported with an increase in sintering temperature. - Highlights: • Nanoparticles of Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} have been prepared by the co-precipitation method. • There is an increase in crystallite size with sintering from 973 K to 1373 K. • A red shift is found in UV–visible and PL spectra with an increase in sintering temperature.

  14. Ab initio investigations of the electronic structures and chemical bonding in LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Matar, Samir F. [CNRS, ICMCB, UPR 9048, F‐33600 Pessac (France); Université de Bordeaux, ICMCB, UPR 9048, F‐33600 Pessac (France); Al-Alam, Adel; Ouaini, Naïm [Université Saint-Esprit de Kaslik (USEK), Groupe OCM (Optimization et Caractérisation des Matériaux), CSR-USEK, CNRS-L, Jounieh (Lebanon); Pöttgen, Rainer, E-mail: pottgen@uni-muenster.de [Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstraße 30, D-48149 Münster (Germany)

    2013-06-15

    The electronic structures of the metal-rich phosphides LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7} were studied by DFT calculations. Both phosphides consist of three-dimensional [Co{sub 6}P{sub 4}] and [Co{sub 12}P{sub 7}] polyanionic networks which leave hexagonal channels for the lithium atoms. COOP data show strong Co–P and Co–Co bonding within the polyanions. The lithium atoms have trigonal prismatic phosphorus coordination. Total energy calculations indicate stability upon de-lithiation towards the Co{sub 6}P{sub 4} and Co{sub 12}P{sub 7} substructures - Graphical abstract: The cobalt–phosphorus networks in LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}. - Highlights: • Chemical bonding resolved in the metal-rich phosphides LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}. • Strong covalent Co–P bonding character in the [Co{sub 6}P{sub 4}] and [Co{sub 12}P{sub 7}] substructures. • Total energy calculations indicate stability of the de-lithiated substructures.

  15. Co-catalysis effect of different morphological facets of as prepared Ag nanostructures for the photocatalytic oxidation reaction by Ag–TiO{sub 2} aqueous slurry

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Rupinder; Pal, Bonamali, E-mail: bpal@thapar.edu

    2013-12-16

    This paper highlights the comparative co-catalytic efficiency of different shapes of prepared Ag nanoparticles of size much larger as well as smaller than titania for the Ag–TiO{sub 2} photocatalysis. Quantum sized Ag nanospheres (4{sup {sub 8}} nm), nanorod (length 70–75 nm and width 30–38 nm), polygonal nanosphere (80–120 nm) and truncated triangles (side length 70–140 nm) are prepared by solvothermal process. The co-catalytic activities of these Ag nanostructures were investigated by mixing them with TiO{sub 2} for the photocatalytic degradation of aqueous salicylic (0.5 mM) and benzoic acid (0.5 mM) under UV light (125 W-Hg arc, 10.4 mW cm{sup −2}) irradiation. The Ag co-catalysis effect imparted to TiO{sub 2} follows as polygonal nanosphere > nanorod > truncated triangle > small nanosphere due to the formation of many Ag–TiO{sub 2} interfaces by a single large-sized Ag nanoparticle than smaller one. As the surface coverage of Ag particles by TiO{sub 2} decreases, the Ag–TiO{sub 2} photoactivity is decreased accordingly. The efficient adsorption of salicylic acid to TiO{sub 2} surface through –COOH and –OH groups render its higher photodegradation rate (1.8–2.7 × 10{sup −2} μmol min{sup −1}) than benzoic acid (1.5–2.5 × 10{sup −2} μmol min{sup −1}) having one chelating –COOH group. Zeta potential and conductance measurement of photoreaction mixture were carried out to investigate the ionic interaction-adsorption of reactant substrates over Ag–TiO{sub 2} surface. - Graphical abstract: This study demonstrated the co-catalysis effect of relatively larger Ag nanostructures of different shapes than TiO{sub 2} for its improved photocatalytic activity during salicylic acid and benzoic acid degradation under UV light (125 W Hg-arc lamp, 10.4 mW cm{sup −2}) irradiation. The co-catalytic ability of Ag is found to exhibit as polygonal nanosphere > nanorod > truncated triangle > small nanosphere relative to bare TiO{sub 2

  16. Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

    2017-09-04

    The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Synthesis, crystal structure and photoluminescence of a new Eu-doped Sr containing sialon (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Yamane, Hisanori, E-mail: yamane@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Shimooka, Satoshi; Uheda, Kyota [Mitsubishi Chemical Group, Science and Technology Research Center, Inc. 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502 (Japan)

    2012-06-15

    Colorless transparent platelet single crystals of a novel Eu{sup 2+}-doped strontium silicon aluminum oxynitride, (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6}, were prepared at 1800 Degree-Sign C and 0.92 MPa of N{sub 2}. Fundamental reflections of electron and X-ray diffraction of the crystals were indexed with a face-centered orthorhombic unit cell (a=5.8061(5) A, b=37.762(3) A, c=9.5936(9) A). Diffuse streaks elongated in the b-axis direction were observed around the fundamental reflections hkl with h=2n+1 of the electron and X-ray diffraction, indicating stacking faults of (0 1 0)[1 0 0]/2. A crystal structure model without the stacking faults was obtained using the X-ray diffraction data of the fundamental reflections with the space group Fdd2. A SiN{sub 4}-tetrahedron double layer of [SiN{sub 2}]{sub 2} and a Sr/Eu double layer of [(Sr{sub 0.94}Eu{sub 0.06})Al{sub 1.2}Si{sub 0.8}N{sub 0.8} O{sub 1.2}]{sub 2} are stacked alternately along the b-axis direction. The title compound showed an emission with a peak wavelength of 490 nm under 334 nm excitation at room temperature. - Graphical abstract: Single crystals of a novel Eu{sup 2+}-doped strontium silicon aluminum oxynitride, (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6}, having stacking faults on the (0 1 0) plane of an orthorhombic cell, were prepared at 1800 Degree-Sign C and 0.92 MPa of N{sub 2}. The compound showed emission with a peak wavelength of 490 nm under 334 nm excitation at room temperature. Highlights: Black-Right-Pointing-Pointer A new compound Eu{sup 2+}-doped (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6} was prepared. Black-Right-Pointing-Pointer Stacking faults in the compound were clarified by electron and X-ray diffraction. Black-Right-Pointing-Pointer A basic crystal structure model was obtained based on the X-ray diffraction data. Black-Right-Pointing-Pointer An

  18. Influence of Na-doping in La{sub 0.67}Pb{sub 0.33-x}Na{sub x}MnO{sub 3} (0 ≤ x ≤ 0.15) on its structural, magnetic and magneto-electrical properties

    Energy Technology Data Exchange (ETDEWEB)

    Zaidi, Asma; Cherif, Karima [Laboratoire de la Matière Condensée et des Nanosciences, Université de Monastir, 5019 (Tunisia); Dhahri, J., E-mail: dhahri.jemai@yahoo.fr [Laboratoire de la Matière Condensée et des Nanosciences, Université de Monastir, 5019 (Tunisia); Hlil, E.K. [Institut Neel, CNRS et Université Joseph Fourier, B.P.166, 38042 Grenoble (France); Zaidi, M.; Alharbi, T. [College of Science of Zulfi, Majmaah University (Saudi Arabia)

    2015-11-25

    We have studied the effect of Na substitution on structural, magnetic and electrical properties in La{sub 0.67}Pb{sub 0.33-x}Na{sub x}MnO{sub 3} (0 ≤ x ≤ 0.15). All compositions were synthesized using the sol–gel technique. X-ray diffraction and structure refinement show that they crystallize in the rhombohedra structure with the R − 3c space group. All the samples exhibit a paramagnetic (PM)-ferromagnetic (FM) phase transition (T{sub C}) at 363, 328, 305 and 285 K for x = 0, x = 0.05, x = 0.1 and x = 0.15 respectively. The replacement of Pb ion by Na results in a decrease of the metal-semiconductor transition temperature T{sub M-Sc} and the magnetoresistance (MR) as well as the resistivity are found to increase. The electrical resistivity in the entire temperature range fit well with the phenomenological percolation theory based on the phase segregation mechanism. - Graphical abstract: Temperature dependence of MR under several magnetic applied field values for the samples La{sub 0.67}Pb{sub 0.18-x}Na{sub 0.15}MnO{sub 3}. - Highlights: • The samples exhibit PM-FM phase transition. • The electrical transport is investigated. • Low temperature minimum resistivity is observed. • The electrical resistivity in the entire temperature range fit well with the phenomenological percolation model.

  19. Metal ion displacements in noncentrosymmetric chalcogenides La{sub 3}Ga{sub 1.67}S{sub 7}, La{sub 3}Ag{sub 0.6}GaCh{sub 7} (Ch=S, Se), and La{sub 3}MGaSe{sub 7} (M=Zn, Cd)

    Energy Technology Data Exchange (ETDEWEB)

    Iyer, Abishek K. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900 (China); Rudyk, Brent W. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Lin, Xinsong [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Centre for Oil Sands Sustainability, Northern Alberta Institute of Technology, Edmonton, Alberta, Canada T6N1E5 (Canada); Nilges, Tom [Department of Chemistry, Technical University of Munich, 85748 Garching b. München (Germany); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada)

    2016-11-15

    The quaternary Ga-containing chalcogenides La{sub 3}Ag{sub 0.6}GaS{sub 7}, La{sub 3}Ag{sub 0.6}GaSe{sub 7}, La{sub 3}ZnGaSe{sub 7}, and La{sub 3}CdGaSe{sub 7}, as well as the related ternary chalcogenide La{sub 3}Ga{sub 1.67}S{sub 7}, were prepared by reactions of the elements at 950 °C. They adopt noncentrosymmetric hexagonal structures (space group P6{sub 3}, Z=2) with cell parameters (a=10.2 Å, c=6.1 Å for the sulfides; a=10.6 Å, c=6.4 Å for the selenides) that are largely controlled by the geometrical requirements of one-dimensional stacks of Ga-centered tetrahedra separated by the La atoms. Among these compounds, which share the common formulation La{sub 3}M{sub 1–x}GaCh{sub 7} (M=Ga, Ag, Zn, Cd; Ch=S, Se), the M atoms occupy sites within a stacking of trigonal antiprisms formed by Ch atoms. The location of the M site varies between extremes with trigonal antiprismatic (CN6) and trigonal planar (CN3) geometry. Partial occupation of these sites and intermediate ones accounts for the considerable versatility of these structures and the occurrence of large metal displacement parameters. The site occupations can be understood in a simple way as being driven by the need to satisfy appropriate bond valence sums for both the M and Ch atoms. Band structure calculations rationalize the substoichiometry observed in the Ag-containing compounds (La{sub 3}Ag{sub 0.6}GaS{sub 7}, La{sub 3}Ag{sub 0.6}GaSe{sub 7}) as a response to overbonding. X-ray photoelectron spectroscopy supports the presence of monovalent Ag atoms in these compounds, which are not charge-balanced. - Graphical abstract: Partial occupation of metal atoms in multiple sites accounts for versatility in Ga-containing chalcogenides La{sub 3}M{sub 1–x}GaCh{sub 7} with noncentrosymmetric hexagonal structures. - Highlights: • La{sub 3}M{sub 1–x}GaCh{sub 7} (M =Ga, Ag, Zn, Cd; Ch =S, Se) adopt related hexagonal structures. • Large displacements of M atoms originate from partial occupation of multiple

  20. Using graphic organizers to enhance students' science vocabulary and comprehension of nonfiction science text

    Science.gov (United States)

    Buchanan, Edna

    The purpose of this research was to investigate the effectiveness of Frayer Model and the Hierarchical Organizer as a literacy strategy to improve ninth grade students' science vocabulary and comprehension of non-fictions text in Environmental Science course. The study implemented a sequential explanatory methodology design that included quantitative and qualitative instruments. The research sample consisted of one hundred and two (102) high school environmental science students entering the ninth grade for the first time. The two treatment groups each consisted of thirty-five (35) students, and the control group consisted of 32 students. Treatment group one used the Frayer Model; treatment group two used Hierarchical Organizer and the control group used the traditional teaching methods without the use of a graph organizer. The investigator taught both treatment groups and the control group to ensure reliability. The two treatment groups were taught using graphic organizers as the main lesson plan tool and the control group was taught using guided notes lecture with PowerPoint. A pretest and post-test were administered to each student. Student test scores were evaluated to determine whether knowledge gains differed between the treatment groups and the control group. It was found that the use of graphic organizer instruction was significantly better for student achievement when compared to the use of PowerPoint instruction and that there was much more interaction between student and teacher during the graphic organizer lessons. The delivery of the lesson by the use of graphic organizers seemed to promote more success than the use of the PowerPoint and lecture.

  1. Surface activation of MnNb{sub 2}O{sub 6} nanosheets by oxalic acid for enhanced photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Junshu; Wang, Jinshu, E-mail: wangjsh@bjut.edu.cn; Li, Hongyi; Li, Yongli; Du, Yucheng; Yang, Yilong; Jia, Xinjian

    2017-05-01

    Graphical abstract: Visible light driven photoreduction of Cr(VI) over MnNb{sub 2}O{sub 6} nanosheets is enhanced via oxalic acid surface complex to generate activation layer. - Highlights: • MnNb{sub 2}O{sub 6} nanosheets are crystallized by a surface capping route of sulfonate groups. • Oxalic acid on MnNb{sub 2}O{sub 6} nanosheets forms an excited surface complex hybrid layer. • Surface activation enhances visible-light induced reduction of Cr(VI) into Cr(III). - Abstract: MnNb{sub 2}O{sub 6} nanosheets (P-MNOs) is selectively crystallized by using surface capping ligand with functional sulfonate group (sodium dodecyl benzene sulphonate), which binds to the (131) surface of MnNb{sub 2}O{sub 6} inducing the morphology-controlled crystallization of MnNb{sub 2}O{sub 6} materials. Surface modification of photoactive P-MNOs with electron-rich oxalic acid ligands establishes an excited surface complex layer on phase-pure P-MNO as evidenced by spectroscopic analyses (FT-IR, UV–vis, Raman, PL, etc.), and thus more efficiently photocatalyzes the reduction of Cr(VI) into Cr(III) than solely P-MNOs or oxalic acid under visible light (λ > 420 nm) via a ligand-to-metal interfacial electron transfer pathway. However, the interaction between oxalic acid and MnNb{sub 2}O{sub 6} is highly dependent upon the morphology of solid MnNb{sub 2}O{sub 6} substrate due to the higher surface-area-to-volume ratio and higher surface activity of (131) planes in the sheet-like morphology. This study could assist the construction of stable niobate material systems to allow a versatile solid surface activation for establishing more energy efficient and robust catalysis process under visible light.

  2. R graphics

    CERN Document Server

    Murrell, Paul

    2005-01-01

    R is revolutionizing the world of statistical computing. Powerful, flexible, and best of all free, R is now the program of choice for tens of thousands of statisticians. Destined to become an instant classic, R Graphics presents the first complete, authoritative exposition on the R graphical system. Paul Murrell, widely known as the leading expert on R graphics, has developed an in-depth resource that takes nothing for granted and helps both neophyte and seasoned users master the intricacies of R graphics. After an introductory overview of R graphics facilities, the presentation first focuses

  3. The effect of graphic organizers on subjective and objective comprehension of a health education text.

    Science.gov (United States)

    Kools, Marieke; van de Wiel, Margaretha W J; Ruiter, Robert A C; Crüts, Anica; Kok, Gerjo

    2006-12-01

    This study examined the effect of graphic organizers on the comprehension of a health education brochure text and compared subjective with objective comprehension measures. Graphic organizers are graphical depictions of relations among concepts in a text. Participants read a brochure text about asthma with and without these organizers, and subjective and objective text comprehension was measured. It was found that graphic organizers had effects on four levels of objective comprehension as indicated by open comprehension questions. However, on the subjective comprehension measure using Likert-type scales, the groups with and without graphic organizers did not differ from each other. It is concluded that health education texts could benefit from relatively simple techniques to increase comprehension. Furthermore, in developing health education materials, comprehension should be measured objectively.

  4. Hexagonal perovskites with cationic vacancies. 27. Systems Ba/sub 4-x/Sr/sub x/B/sup II/Re/sub 2/vacantO/sub 12/, Ba/sub 4/B/sub 1-x//sup II/Ca/sub x/Re/sub 2/vacantO/sub 12/, and Ba/sub 4-x/La/sub x/B/sup II/Re/sub 2-x/W/sub x/vacantO/sub 12/ with B/sup II/ = Co, Ni

    Energy Technology Data Exchange (ETDEWEB)

    Herrmann, M; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1981-05-01

    In the systems Ba/sub 4-x/Sr/sub x/B/sup II/Re/sub 2/vacantO/sub 12/, Ba/sub 4/B/sub 1-x//sup II/Ca/sub x/Re/sub 2/vacantO/sub 12/ and Ba/sub 4-x/La/sub x/B/sup II/Re/sub 2-x/W/sub x/va/sub x/antO/sub 12/ (B/sup II/ =Co, Ni) hexagonal perovskites with a rhombohedral 12 L structure (general composition A/sub 4/BM/sub 2/vacantO/sub 12/; sequence (hhcc)/sub 3/; space group R3m) are observed. With the exception of Ba/sub 4/NiRe/sub 2/vacantO/sub 12/ the octahedral net consists of BO/sub 6/ single octahedra and M/sub 2/vacantO/sub 12/ face connected blocks (type 1). In type 2 (Ba/sub 4/NiRe/sub 2/vacantO/sub 12/) the M ions are located in the single octahedra and in the center of the groups of three face connected octahedra. The two outer positions of the latter are occupied by B ions and vacancies in the ratio 1:1. The difference between type 1 and 2 are discussed by means of the vibrational and diffuse reflectance spectra.

  5. Graphic filter library implemented in CUDA language

    OpenAIRE

    Peroutková, Hedvika

    2009-01-01

    This thesis deals with the problem of reducing computation time of raster image processing by parallel computing on graphics processing unit. Raster image processing thereby refers to the application of graphic filters, which can be applied in sequence with different settings. This thesis evaluates the suitability of using parallelization on graphic card for raster image adjustments based on multicriterial choice. Filters are implemented for graphics processing unit in CUDA language. Opacity ...

  6. Gender Differences in Intimate Partner Homicides Among Ethnic Sub-Groups of Asians.

    Science.gov (United States)

    Sabri, Bushra; Campbell, Jacquelyn C; Dabby, Firoza Chic

    2016-03-01

    This study explored differences in intimate partner homicides (IPHs) among Asian Americans. Data from newspapers and femicide reports by different state coalitions on 125 intimate partner killings occurring between 2000 and 2005 were analyzed. Men were the perpetrators in nearly 9 out of 10 cases of Asian IPHs. Gender differences were found in ages of victims and perpetrators, types of relationship between partners, and methods of killing. Most homicides occurred among South-east Asians, and East Asians had the highest within-group proportion of suicides. The findings call for culturally competent risk assessment and intervention strategies to prevent IPHs among at-risk Asian Americans. © The Author(s) 2015.

  7. Influence of different fuel agents on the combustion synthesis of the nanostructured Li{sub 1.05}Mn{sub 2}O{sub 4} oxide

    Energy Technology Data Exchange (ETDEWEB)

    Amaral, Fabio A.; Guerra, R.F.; Santana, L.K.; Canobre, S.C., E-mail: fabioamaral@iqufu.ufu.br [Universidade Federal de Uberlandia (LAETE/UFU), MG (Brazil). Inst. de Quimica. Lab. de Armazenamento de Energia e Tratamento de Efluentes

    2014-08-15

    In this work nanostructured Li{sub 1.05}Mn{sub 2}O{sub 4} oxide was obtained by Solution Combustion Synthesis (SCS) using three different fuel agents in order to obtain a unique phase with a crystalline cubic structure belonging to the F{sub d3m} spatial group. The phase of interest could be obtained, following the order: glycine (at 600 °C for 2 h) ‹ urea (at 750 °C for 2 h) ‹ maleic anhydride (at 750 °C for 4 h), with crystallite size in the range from 4.6 to 9.7 nm (nanometric character) and the unit cell parameter of the calcined samples at 750 °C for 2 h were similar to the JCPDS 35-0782 with cubic structure (a = 8.247 Å). Charge and discharge tests from the samples obtained by glycine fuel (at 750 °C for 4 h) presented the highest experimental specific capacities of 115 mA h g{sup -1} and 92% of retention after 10 cycles. (author)

  8. Effects of Al{sub 2}O{sub 3} phase and Cl component on dehydrogenation of propane

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jie; Liu, Changcheng; Ma, Aizeng; Rong, Junfeng; Da, Zhijian, E-mail: dazhijianripp@163.com; Zheng, Aiguo; Qin, Ling

    2016-04-15

    Graphical abstract: - Highlights: • Comparative study of Al{sub 2}O{sub 3} phase on dehydrogenation of propane was implemented. • Pore structures and acid properties of Pt-Al{sub 2}O{sub 3} are correlated to the activities. • Pt-θ-Al{sub 2}O{sub 3} with abundant Cl content shows the highest activity and stability. - Abstract: The effects of two Al{sub 2}O{sub 3} phases, γ- and θ-Al{sub 2}O{sub 3}, and Cl component on the performances of Pt-Al{sub 2}O{sub 3} catalysts in the dehydrogenation of propane were investigated in this work. The catalysts were systematically characterized by various techniques, such as scanning transmission electron microscopy (STEM), temperature-programmed desorption with ammonia as probe molecules (NH{sub 3}-TPD) and temperature-programmed oxidation (TPO). The characterizations and catalytic results show that: (i) the pore structures and acid properties of the two Al{sub 2}O{sub 3} phases can change the quantity, location and property of the carbon deposition, (ii) the existence of Cl plays a significant role on the agglomeration of Pt particles and carbon deposition, which further influence the catalytic performances of Pt-Al{sub 2}O{sub 3} catalysts with different support phases for propane dehydrogenation.

  9. Influence of carboxyl group formation on ammonia adsorption of NiO-templated nanoporous carbon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Long-Yue [Department of Chemistry, Inha University, 100 Inharo, Nam-gu, Incheon 402-751 (Korea, Republic of); Park, Soo-Jin, E-mail: sjpark@inha.ac.kr [Department of Chemistry, Inha University, 100 Inharo, Nam-gu, Incheon 402-751 (Korea, Republic of)

    2012-11-15

    The scope of this work was to control the surface functional groups of nanoporous carbons (NPs) by oxidizing agents (nitric acid and hydrogen peroxide) treatments and to investigate the relation between carboxyl group and ammonia removal efficiency. The NPs were directly prepared from a cation exchange resin by the carbonization of a mixture with Ni acetate at 900 Degree-Sign C. N{sub 2}/-196 Degree-Sign C adsorption, Boehm's titrations, and X-ray photoelectron spectroscopy (XPS) analyzes were employed to confirm the physicochemical properties of NPs. The ammonia removal efficiency was confirmed by temperature programmed desorption (TPD) technique. In the result, the oxygen content of NPs increased after various treatments and the highest content of carboxyl group formation appeared at a 2:3 volume ratio of HNO{sub 3}/H{sub 2}O{sub 2}. It was also found that the oxidation treatment led to an increase in ammonia removal efficiency of NPs, mainly due to an increase of acid oxygen functional groups (such as carboxyl) on NPs surfaces. -- Graphical abstract: The nanoporous carbons were prepared from an exchange resin by the carbonization of a mixture with Ni acetate for ammonia adsorption. Highlights: Black-Right-Pointing-Pointer The carbons were prepared from an exchange resin by the carbonization of a mixture with Ni acetate. Black-Right-Pointing-Pointer The carbon surfaces were modified with HNO{sub 3}/H{sub 2}O{sub 2} solution at different volume radio. Black-Right-Pointing-Pointer The highest content of carboxyl group formation appeared at a 2:3 volume ratio of HNO{sub 3}/H{sub 2}O{sub 2}. Black-Right-Pointing-Pointer The acid oxygen functional groups (such as carboxyl) on carbon surfaces led to an increase in ammonia adsorption.

  10. Animated graphics for comparing two risks: a cautionary tale.

    Science.gov (United States)

    Zikmund-Fisher, Brian J; Witteman, Holly O; Fuhrel-Forbis, Andrea; Exe, Nicole L; Kahn, Valerie C; Dickson, Mark

    2012-07-25

    The increasing use of computer-administered risk communications affords the potential to replace static risk graphics with animations that use motion cues to reinforce key risk messages. Research on the use of animated graphics, however, has yielded mixed findings, and little research exists to identify the specific animations that might improve risk knowledge and patients' decision making. To test whether viewing animated forms of standard pictograph (icon array) risk graphics displaying risks of side effects would improve people's ability to select the treatment with the lowest risk profile, as compared with viewing static images of the same risks. A total of 4198 members of a demographically diverse Internet panel read a scenario about two hypothetical treatments for thyroid cancer. Each treatment was described as equally effective but varied in side effects (with one option slightly better than the other). Participants were randomly assigned to receive all risk information in 1 of 10 pictograph formats in a quasi-factorial design. We compared a control condition of static grouped icons with a static scattered icon display and with 8 Flash-based animated versions that incorporated different combinations of (1) building the risk 1 icon at a time, (2) having scattered risk icons settle into a group, or (3) having scattered risk icons shuffle themselves (either automatically or by user control). We assessed participants' ability to choose the better treatment (choice accuracy), their gist knowledge of side effects (knowledge accuracy), and their graph evaluation ratings, controlling for subjective numeracy and need for cognition. When compared against static grouped-icon arrays, no animations significantly improved any outcomes, and most showed significant performance degradations. However, participants who received animations of grouped icons in which at-risk icons appeared 1 at a time performed as well on all outcomes as the static grouped-icon control group

  11. Can we be more Graphic about Graphic Design?

    OpenAIRE

    Vienne, Véronique

    2012-01-01

    Can you objectify a subjective notion? This is the question graphic designers must face when they talk about their work. Even though graphic design artifacts are omnipresent in our culture, graphic design is still an exceptionally ill-defined profession. This is one of the reasons design criticism is still a rudimentary discipline. No one knows for sure what is this thing we sometimes call “graphic communication” for lack of a better word–a technique my Webster’s dictionary describes as “the ...

  12. Graphics and control for in-reactor operations

    International Nuclear Information System (INIS)

    Smith, A.L.

    1996-01-01

    A wide range of manipulator systems has been developed to carry out remotely operated inspection, repair and maintenance tasks at the Magnox reactors in the United Kingdom. A key factor in the improvement of these systems in recent years has been the extensive use of computer graphics as a real-time aid to the manipulator operator. This is exemplified by the reactor pressure vessel inspection work at the Bradwell reactor which is described in detail. The graphics sub-system of the control system for the manipulator plays a unique and wide-ranging role. The 3D modelling and simulation capability of the IGRIP software has contributed to the conceptual design, detailed path planning, rehearsal support, public relations, real-time manipulator display, post inspection documentation and quality assurance. (UK)

  13. Size-dependent properties of YBa sub 2 Cu sub 3 O sub 6 sub + sub x nanopowder

    CERN Document Server

    Paturi, P; Huhtinen, H; Huhtala, V P; Laiho, R

    2003-01-01

    YBa sub 2 Cu sub 3 O sub 6 sub + sub x nanopowder, prepared by the citrate sol-gel method, is segregated by sedimentation in ethanol into three size groups with average particle heights of 0.7, 1.6 and 2.3 nm. The structural properties and composition of the powders, investigated by x-ray diffraction, atomic force microscopy, Auger electron spectroscopy and EPR-spectroscopy, show no clear differences, except the size. According to investigations by magnetometry and by non-resonant microwave absorption the as-prepared powder contains weak links which, however, disappear during the segregation. The magnetic susceptibility of the samples decreases with the decreasing particle size, in agreement with the susceptibility values calculated from the London equations for cylindrical particles smaller than the London penetration depth. In all three size groups the critical temperature of superconductivity is 92 K.

  14. Elucidating structural order and disorder phenomena in mullite-type Al{sub 4}B{sub 2}O{sub 9} by automated electron diffraction tomography

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Haishuang; Krysiak, Yaşar [Institute of Inorganic Chemistry and Analytical Chemistry, Jakob-Welder-Weg 11, Johannes Gutenberg-University Mainz, 55128 Mainz (Germany); Hoffmann, Kristin [Crystallography, Department of Geosciences, Klagenfurter Str. 2, GEO, University of Bremen, 28359 Bremen (Germany); Institute of Inorganic Chemistry and Crystallography, Leobener Str. NW2, University of Bremen, 28359 Bremen (Germany); Barton, Bastian [Institute of Inorganic Chemistry and Analytical Chemistry, Jakob-Welder-Weg 11, Johannes Gutenberg-University Mainz, 55128 Mainz (Germany); Molina-Luna, Leopoldo [Department of Materials and Geoscience, Technische Universität Darmstadt, Petersenstr. 23, 64287 Darmstadt (Germany); Neder, Reinhard B. [Department of Physics, Lehrstuhl für Kristallographie und Strukturphysik, Friedrich-Alexander University Erlangen-Nürnberg, Staudtstr.3, 91058 Erlangen (Germany); Kleebe, Hans-Joachim [Department of Materials and Geoscience, Technische Universität Darmstadt, Petersenstr. 23, 64287 Darmstadt (Germany); Gesing, Thorsten M. [Institute of Inorganic Chemistry and Crystallography, Leobener Str. NW2, University of Bremen, 28359 Bremen (Germany); MAPEX Center for Materials and Processes, Bibliothekstr.1, University of Bremen, 28359 Bremen (Germany); Schneider, Hartmut [Crystallography, Department of Geosciences, Klagenfurter Str. 2, GEO, University of Bremen, 28359 Bremen (Germany); Fischer, Reinhard X. [Crystallography, Department of Geosciences, Klagenfurter Str. 2, GEO, University of Bremen, 28359 Bremen (Germany); MAPEX Center for Materials and Processes, Bibliothekstr.1, University of Bremen, 28359 Bremen (Germany); and others

    2017-05-15

    The crystal structure and disorder phenomena of Al{sub 4}B{sub 2}O{sub 9}, an aluminum borate from the mullite-type family, were studied using automated diffraction tomography (ADT), a recently established method for collection and analysis of electron diffraction data. Al{sub 4}B{sub 2}O{sub 9}, prepared by sol-gel approach, crystallizes in the monoclinic space group C2/m. The ab initio structure determination based on three-dimensional electron diffraction data from single ordered crystals reveals that edge-connected AlO{sub 6} octahedra expanding along the b axis constitute the backbone. The ordered structure (A) was confirmed by TEM and HAADF-STEM images. Furthermore, disordered crystals with diffuse scattering along the b axis are observed. Analysis of the modulation pattern implies a mean superstructure (AAB) with a threefold b axis, where B corresponds to an A layer shifted by ½a and ½c. Diffraction patterns simulated for the AAB sequence including additional stacking disorder are in good agreement with experimental electron diffraction patterns. - Graphical abstract: Crystal structure and disorder phenomena of B-rich Al{sub 4}B{sub 2}O{sub 9} studied by automated electron diffraction tomography (ADT) and described by diffraction simulation using DISCUS. - Highlights: • Ab-initio structure solution by electron diffraction from single nanocrystals. • Detected modulation corresponding mainly to three-fold superstructure. • Diffuse diffraction streaks caused by stacking faults in disordered crystals. • Observed streaks explained by simulated electron diffraction patterns.

  15. Facile synthesis of Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts mat with the enhanced fluorescence and mechanical performance

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Hailei; Cui, Bo [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai 201620 (China); Wang, Hongzhi, E-mail: wanghz@dhu.edu.cn [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai 201620 (China); Zhang, Qinghong [Engineering Research Center of Advanced Glasses Manufacturing Technology, MOE, College of Materials Science and Engineering, Donghua University, Shanghai 201620 (China); Li, Yaogang, E-mail: yaogang_li@dhu.edu.cn [Engineering Research Center of Advanced Glasses Manufacturing Technology, MOE, College of Materials Science and Engineering, Donghua University, Shanghai 201620 (China)

    2016-01-15

    Yellow-emitting phosphor mat consisting of Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts was prepared by electrospinning and subsequent nitridation. The as-prepared fiber precursor is smooth and uniform with diameter of 800 to 900 nm. After removing organic templates and nitridation, the morphology of the fiber is well retained and thus a smooth microbelts phosphor mat was obtained. X-ray diffraction and the photoluminescence (PL) spectra reveals that a relatively pure Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16} phase and the highest spectral intensity could be obtained at a relatively low temperature of 1500 °C and Eu{sup 2+} doping molar concentration of 0.1. The excitation spectra exhibits a broad band, ranging from 300 to 550 nm, which could be excited by blue LED chip at room temperature. The emission spectra of all exhibits a single broad band in the 400 to 700 nm region, with the maximum intensity always being at 580 nm. The Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts phosphor mat has the bending strength about 4.5 MPa with a photoluminescence quantum yield as high as 65%. By employing it as yellow phosphor, a high-performance warm white LED could be fabricated with low correlated color temperature (2985 K), high-color-rendering index (Ra=86) and luminous efficacy of 129.5 lm W{sup −1}. Different color temperatures also could be tuned by employing microbelts phosphor mats with different thicknesses. - Graphical abstract: Yellow-emitting phosphor mat consisting of Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts fibers were prepared by electrospinning the fiber precursor and subsequent nitridation. Because the good mechanical strength it could be utilized to realize LEDs remote packaging. By employing it as yellow phosphor, a high-performance warm white LED could be fabricated. Different color temperatures also could be tuned by employing microbelts phosphor mats with different thicknesses

  16. Syntheses, crystal structures, and characterization of two new Tl{sup +}-Cu{sup 2+}-Te{sup 6+} oxides: Tl{sub 4}CuTeO{sub 6} and Tl{sub 6}CuTe{sub 2}O{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Yeon, Jeongho; Kim, Sang-Hwan [Department of Chemistry, University of Houston, 136 Fleming Building, Houston, TX 77204-5003 (United States); Green, Mark A. [Department of Materials Science and Engineering, University of Maryland, College Park, MD, 20742-2115 and NIST Center for Neutron Research, National Institute of Standard and Technology, 100 Bureau Drive, Gaithersburg, MD 20899-6103 (United States); Bhatti, Kanwal Preet; Leighton, C. [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55455-0132 (United States); Shiv Halasyamani, P., E-mail: psh@uh.edu [Department of Chemistry, University of Houston, 136 Fleming Building, Houston, TX 77204-5003 (United States)

    2012-12-15

    Crystals and polycrystalline powders of two new oxide materials, Tl{sub 4}CuTeO{sub 6} and Tl{sub 6}CuTe{sub 2}O{sub 10}, have been synthesized by hydrothermal and solid-state methods. The materials were structurally characterized by single-crystal X-ray diffraction. Tl{sub 4}CuTeO{sub 6} and Tl{sub 6}CuTe{sub 2}O{sub 10} exhibit one dimensional anionic slabs of [CuTeO{sub 6}]{sup 4-} and [CuTe{sub 2}O{sub 10}]{sup 6-}, respectively. Common to both slabs is the occurrence of Cu{sup 2+}O{sub 4} distorted squares and Te{sup 6+}O{sub 6} octahedra. The slabs are separated by Tl{sup +} cations. For Tl{sub 4}CuTeO{sub 6}, magnetic measurements indicate a maximum at {approx}8 K in the temperature dependence of the susceptibility. Low temperature neutron diffraction data confirm no long-range magnetic ordering occurs and the susceptibility was adequately accounted for by fits to a Heisenberg alternating chain model. For Tl{sub 6}CuTe{sub 2}O{sub 10} on the other hand, magnetic measurements revealed paramagnetism with no evidence of long-range magnetic ordering. Infrared, UV-vis spectra, thermogravimetric, and differential thermal analyses are also reported. Crystal data: Tl{sub 4}CuTeO{sub 6}, Triclinic, space group P-1 (No. 2), a=5.8629(8) A, b=8.7848(11) A, c=9.2572(12) A, {alpha}=66.0460(10), {beta}=74.2010(10), {gamma}=79.254(2), V=417.70(9) A{sup 3}, and Z=2; Tl{sub 6}CuTe{sub 2}O{sub 10}, orthorhombic, space group Pnma (No. 62), a=10.8628(6) A, b=11.4962(7) A, c=10.7238(6) A, V=1339.20(13) A{sup 3}, and Z=4. - Graphical Abstract: Two new oxide materials, Tl{sub 4}CuTeO{sub 6} and Tl{sub 6}CuTe{sub 2}O{sub 10}, have been synthesized and characterized. The materials exhibit one dimensional crystal structures consisting of CuO{sub 4} and TeO{sub 6} polyhedra. Highlights: Black-Right-Pointing-Pointer Two New Tl-Te-Cu-oxides have been synthesized and structurally characterized. Black-Right-Pointing-Pointer For Tl{sub 4}CuTeO{sub 6}, magnetic measurements indicate a

  17. Synthesis, crystal structure, electrical properties, and sodium transport pathways of the new arsenate Na{sub 4}Co{sub 7}(AsO{sub 4}){sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Ben Smida, Youssef; Marzouki, Riadh [Université de Tunis El Manar, Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Campus Universitaire, 2092 Manar II, Tunis (Tunisia); Georges, Samuel [Université Grenoble Alpes, Laboratoire d’Electrochimie et de Physicochimie des Matériaux et des Interfaces LEPMI, F-38000 Grenoble (France); Kutteh, Ramzi [Bragg Institute, Australian Nuclear Science and Technology Organisation (ANSTO), New Illawarra Road, Lucas Heights, New South Wales 2234 (Australia); Avdeev, Maxim [Bragg Institute, Australian Nuclear Science and Technology Organisation (ANSTO), New Illawarra Road, Lucas Heights, New South Wales 2234 (Australia); School of Chemistry, University of Sydney, Sydney, New South Wales 2006 (Australia); Guesmi, Abderrahmen; Zid, Mohamed Faouzi [Université de Tunis El Manar, Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Campus Universitaire, 2092 Manar II, Tunis (Tunisia)

    2016-07-15

    A new sodium cobalt (II) arsenate Na{sub 4}Co{sub 7}(AsO{sub 4}){sub 6} has been synthesized by a solid-state reaction and its crystal structure determined from single crystal X-ray diffraction data. It crystallizes in the monoclinic system, space group C2/m, with a=10.7098(9) Å, b=14.7837(9) Å, c=6.6845(7) Å, and β=105.545(9)°. The structure is described as a three-dimensional framework built up of corner-edge sharing CoO{sub 6}, CoO{sub 4} and AsO{sub 4} polyhedra, with interconnecting channels along [100] in which the Na{sup +} cations are located. The densest ceramics with relative density of 94% was obtained by ball milling and optimization of sintering temperature, and its microstructure characterized by scanning electron microscopy. The electrical properties of the ceramics were studied over a temperature interval from 280 °C to 560 °C using the complex impedance spectroscopy over the range of 13 MHz–5 Hz. The ionic bulk conductivity value of the sample at 360 °C is 2.51 10{sup −5} S cm{sup −1} and the measured activation energy is Ea=1 eV. The sodium migration pathways in the crystal structure were investigated computationally using the bond valence site energy (BVSE) model and classical molecular dynamics (MD) simulations. - Graphical abstract: Correlation between crystal structure, microstructure and ionic conductivity . Display Omitted - Highlights: • A new arsenate Na{sub 4}Co{sub 7}(AsO{sub 4}){sub 6} was prepared by solid state reaction. • Its crystal structure was determined by powder X-ray diffraction. • Na{sup +} ionic conductivity was probed by complex impedance spectroscopy. • Na{sup +} conduction pathways were modeled by bond-valence method and molecular dynamics.

  18. Programming Language Software For Graphics Applications

    Science.gov (United States)

    Beckman, Brian C.

    1993-01-01

    New approach reduces repetitive development of features common to different applications. High-level programming language and interactive environment with access to graphical hardware and software created by adding graphical commands and other constructs to standardized, general-purpose programming language, "Scheme". Designed for use in developing other software incorporating interactive computer-graphics capabilities into application programs. Provides alternative to programming entire applications in C or FORTRAN, specifically ameliorating design and implementation of complex control and data structures typifying applications with interactive graphics. Enables experimental programming and rapid development of prototype software, and yields high-level programs serving as executable versions of software-design documentation.

  19. Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·tren

    Energy Technology Data Exchange (ETDEWEB)

    Lampkin, John D., E-mail: j.lampkin@pgr.rdg.ac.uk; Powell, Anthony V., E-mail: a.v.powell@rdg.ac.uk; Chippindale, Ann M., E-mail: a.m.chippindale@rdg.ac.uk

    2016-11-15

    A new indium(III) antimony(V) sulfide, (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·tren, has been prepared solvothermally at 433 K. The compound crystallises in the tetragonal space group I-42d (lattice parameters, a=12.6248(5) and c=19.4387(18) Å at 150 K) and contains adamantane-like T2 supertetrahedral units comprised of corner-sharing InS{sub 4}{sup 5−} and SbS{sub 4}{sup 3−} tetrahedra. The adamantane-like units are then linked through sulfur vertices to generate an open, 3-D framework structure containing large pores in which neutral, protonated tren (tris(2-aminoethylene)amine) molecules reside. The presence of the organic components was confirmed by solid-state {sup 13}C NMR (10 kHz), combustion and thermogravimetric analysis. The band gap, obtained from UV–vis diffuse reflectance measurements, is 2.7(2) eV. Stirring with either water or alkali-metal salt solution leads to removal of the neutral tren molecules and an ~9% reduction in unit-cell volume on formation of (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·(H{sub 2}O){sub 4}. - Graphical abstract: Linking of In(III)-Sb(V)-S adamantane units to form a 3-D open framework. - Highlights: • Preparation and structural characterisation of a new mixed-metal thiometallate. • The first mixed In(III)/Sb(V) supertetrahedron. • Optical band gap of 2.7(2) eV. • Soaking in aqueous alkali-metal solutions leads to removal of ca. 50% of the organic content.

  20. Decoupling and tuning competing effects of different types of defects on flux creep in irradiated YBa<sub>2sub>Cu>3sub>O>7-δsub> coated conductors

    Energy Technology Data Exchange (ETDEWEB)

    Eley, S.; Leroux, M.; Rupich, M. W.; Miller, D. J.; Sheng, H.; Niraula, P. M.; Kayani, A.; Welp, U.; Kwok, W. -K.; Civale, L.

    2016-11-15

    YBa<sub>2sub>Cu>3sub>O>7-δsub> coated conductors (CCs) have achieved high critical current densities (J <sub>c>) that can be further increased through the introduction of additional defects using particle irradiation. However, these gains are accompanied by increases in the flux creep rate, a manifestation of competition between the different types of defects. Here, we study this competition to better understand how to design pinning landscapes that simultaneously increase J c and reduce creep. CCs grown by metal organic deposition show non-monotonic changes in the temperature-dependent creep rate, S(T). Notably, in low fields, there is a conspicuous dip to low S as the temperature (T) increases from ~20 to ~65 K. Oxygen-, proton-, and Au-irradiation substantially increase S in this temperature range. Focusing on an oxygen-irradiated CC, we investigate the contribution of different types of irradiation-induced defects to the flux creep rate. Specifically, we study S(T) as we tune the relative density of point defects to larger defects by annealing both an as-grown and an irradiated CC in O<sub>2sub> at temperatures T <sub>A> = 250 °C–600 °C. We observe a steady decrease in S(T > 20 K) with increasing T <sub>A>, unveiling the role of pre-existing nanoparticle precipitates in creating the dip in S(T) and point defects and clusters in increasing S at intermediate temperatures.

  1. The effect of different annealing temperatures on the structure and luminescence properties of Y{sub 2}O{sub 3}:Bi{sup 3+} thin films fabricated by spin coating

    Energy Technology Data Exchange (ETDEWEB)

    Yousif, A.; Jafer, R.M.; Som, S. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 (South Africa); Department of Physics, Faculty of Education, University of Khartoum, P.O. Box 321, 11115 Omdurman (Sudan); Duvenhage, M.M.; Coetsee, E. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 (South Africa); Swart, H.C., E-mail: swarthc@ufs.ac.za [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 (South Africa)

    2016-03-01

    Graphical abstract: - Highlights: • Y{sub 2−x}O{sub 3}:Bi{sub x=0.005} thin films were successfully fabricated by the spin coating method. • The Y{sub 2−x}O{sub 3}:Bi{sub x=0.005} thin films were converted into Y{sub 2}Si{sub 2}O{sub 7}:Bi films after annealing. • The conversion affected the PL properties of the Bi{sup +} ion in the newly formed host. • A blue shift in emission colour was observed. - Abstract: This paper reports on the structural, morphology and optical properties of Y{sub 2−x}O{sub 3}:Bi{sub x=0.005} micro-and nanophosphors synthesized via the spin coating method. The influence of different annealing temperatures (900–1200 °C) on the morphology, crystal structure and the photoluminescence (PL) properties of the synthesized films were studied in detail. The crystal structure of the films was investigated with X-ray diffraction. The presence of the three major diffraction peaks with Miller indexes (2 1 1), (2 2 2) and (4 0 0) indicated that the Y{sub 2−x}O{sub 3}:Bi{sub x=0.005} thin films were well-crystallized at 900 °C, 1000 °C, 1100 °C and 1200 °C. Additionally, extra diffraction peaks were observed for the sample that was annealed at 1200 °C. Those extra peaks were due to the formation of the Y{sub 2}Si{sub 2}O{sub 7} phase owing to the annealing induced changes in the crystal structure and chemical composition of the Y{sub 2−x}O{sub 3}:Bi{sub x=0.005} thin film. This may also be attributed to inter diffusion of atomic species between the Si substrate and the Y{sub 2−x}O{sub 3}:Bi{sub x=0.005} thin film at the high annealing temperature. Due to structure-sensitive properties of the Bi{sup 3+} ions, a blue shift of the centre PL emission band from 495 nm to 410 nm was clearly observed and explained in detail. The time-of-flight secondary ion mass spectroscopy results show the Si diffusion from the Si substrate, whereas, the scanning electron microscopy and the atomic force microscopy were used for the morphology

  2. Graphical passwords: a qualitative study of password patterns

    CSIR Research Space (South Africa)

    Vorster, J

    2015-03-01

    Full Text Available Graphical passwords schemas are becoming more main-stream. There are many different approaches to graphical passwords, each with its own drawbacks and advantages. There has been many studies to suggest that graphical passwords should be stronger...

  3. Epitaxial Al{sub x}Ga{sub 1–x}As:Mg alloys with different conductivity types

    Energy Technology Data Exchange (ETDEWEB)

    Seredin, P. V., E-mail: paul@phys.vsu.ru; Lenshin, A. S. [Voronezh State University (Russian Federation); Arsentiev, I. N., E-mail: arsentyev@mail.ioffe.ru; Zhabotinskii, A. V.; Nikolaev, D. N.; Tarasov, I. S.; Shamakhov, V. V. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Prutskij, Tatiana, E-mail: prutskiy@yahoo.com [Benemérita Universidad Autónoma de Puebla, Instituto de Ciencias (Mexico); Leiste, Harald; Rinke, Monika [Karlsruhe Nano Micro Facility (Germany)

    2017-01-15

    The structural, optical, and energy properties of epitaxial Al{sub x}Ga{sub 1–x}As:Mg/GaAs(100) heterostructures at different levels of doping with Mg are studied by high-resolution X-ray diffraction analysis and Raman and photoluminescence spectroscopies. It is shown that, by choosing the technological conditions of Al{sub x}Ga{sub 1–x}As:Mg alloy production, it is possible to achieve not only different conductivity types, but also substantially different charge-carrier concentrations in an epitaxial film.

  4. Improved osteoblasts growth on osteomimetic hydroxyapatite/BaTiO{sub 3} composites with aligned lamellar porous structure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Beilei [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); Chen, Liangjian, E-mail: jian007040@sina.com [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Shao, Chunsheng [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); Zhang, Fuqiang; Zhou, Kechao [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Cao, Jun [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); Zhang, Dou, E-mail: dzhang@csu.edu.cn [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China)

    2016-04-01

    Osteoblasts growing into bone substitute is an important step of bone regeneration. This study prepared porous hydroxyapatite (HA)/BaTiO{sub 3} piezoelectric composites with porosity of 40%, 50% and 60% by ice-templating method. Effects of HA/BaTiO{sub 3} composites with different porosities, with and without polarizing treatment on adhesion, proliferation and differentiation of osteoblasts were investigated in vitro. Results revealed that cell densities of the porous groups were significantly higher than those of the dense group (p < 0.05), so did the alkaline phosphate (ALP) and bone gla protein (BGP) activities. Porosity of 50% group exhibited higher ALP activity and BGP activity than those of the 40% and 60% groups. Scanning electron microscopy (SEM) observations revealed that osteoblasts adhered and stretched better on porous HA/BaTiO{sub 3} than on the dense one, especially HA/BaTiO{sub 3} with porosity of 50% and 60%. However, there was no significant difference in the cell morphology, cell densities, ALP and BGP activities between the polarized group and the non-polarized group (p > 0.05). The absence of mechanical loading on the polarized samples may account for this. The results indicated that hierarchically porous HA/BaTiO{sub 3} played a favorable part in osteoblasts proliferation, differentiation and adhesion process and is a promising bone substitute material. - Graphical abstract: Aligned porous structure of HA/BaTiO{sub 3} piezoelectric composites prepared by ice-templating method was similar to the lamellar Haversian system in bone tissue. When co-cultured with human osteosarcoma cells (MG63), porous HA/BaTiO{sub 3} composites exhibited remarkable biological activity in promoting proliferation, differentiation and adhesion of MG63 cells. - Highlights: • The aligned porous structure of HA/BaTiO{sub 3} composite was similar to the lamellar Haversian system in bone tissue. • The piezoelectric d{sub 33} coefficient of HA/BaTiO{sub 3} with porosity

  5. The first quinary rare earth thiophosphates. Cs{sub 5}Ln{sub 3}X{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) (Ln = La, Ce, X = Br, Cl) and the quasi-quaternary Cs{sub 10}Y{sub 4}Cl{sub 10}(P{sub 2}S{sub 6}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Schoop, Leslie Mareike; Eger, Roland; Nuss, Juergen; Pielnhofer, Florian [Max Planck Institute for Solid State Research, Stuttgart (Germany); Lotsch, Bettina Valeska [Max Planck Institute for Solid State Research, Stuttgart (Germany); Nanosystems Initiative Munich (NIM) and Center for Nanoscience, Muenchen (Germany)

    2017-12-13

    We report the first examples of quinary rare earth thiophosphates with a fully ordered cation and anion distribution, Cs{sub 5}Ln{sub 3}X{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}), (Ln = La, Ce and X = Br, Cl) as well as the quasi-quaternary Cs{sub 10}Y{sub 4}Cl{sub 10}(P{sub 2}S{sub 6}){sub 3}. These four new compounds crystallize in three different, unknown structure types. The yellowish, transparent, brittle Cs{sub 5}Ce{sub 3}Br{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) crystallizes in the orthorhombic space group Pnma (no. 62) with a = 13.276(3), b = 14.891(3), c = 19.593(4) Aa, and V = 3873(1) Aa{sup 3} in a novel structure type. Colorless crystals of Cs{sub 5}La{sub 3}Br{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) and Cs{sub 5}La{sub 3}Cl{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) are isotypic and were obtained in the monoclinic space group P2{sub 1}/m (no. 11) with a = 9.715(2), b = 14.310(3), c = 13.685(3) Aa, β = 100.16(3) and V = 1873(1) Aa{sup 3} and a = 9.513(2), b = 14.182(3), c = 13.699(3) Aa, β = 99.39(3) and V = 1823(1) Aa{sup 3}, respectively. Both structures contain isolated hexathiohypodiphosphate(IV) [P{sub 2}S{sub 6}]{sup 4-} and thiophosphate [PS{sub 4}]{sup 3-} units that are arranged alternately in layers. Cs{sub 10}Y{sub 4}Cl{sub 10}(P{sub 2}S{sub 6}){sub 3} crystallizes in colorless transparent platelets in the orthorhombic space group Pnnm (no. 58) with a = 13.153(3), b = 28.964(6), c = 7.780(2) Aa, and V = 2964(1) Aa{sup 3}. The structure is composed of isolated [P{sub 4/2}S{sub 6}]{sup 4-} octahedra containing four half occupied P positions surrounded octahedrally by sulfur. We show with Raman scattering that this disordered thiophosphate anion shows a Raman spectrum that is distinct from spectra published for other literature-known thiophosphate anions. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Influence of difference quantity La-doped TiO{sub 2} photoanodes on the performance of dye-sensitized solar cells: A strategy for choosing an appropriate doping quantity

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zige; Li, Guoxiang; Cui, Zijian; Zhang, Kaiyue; Feng, Yaqing [School of Chemical Engineering and Technology, Tianjin University, Weijin Roard 92#, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering, Weijin Roard 92#, Tianjin 300072 (China); Meng, Shuxian, E-mail: msxmail@tju.edu.cn [School of Chemical Engineering and Technology, Tianjin University, Weijin Roard 92#, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering, Weijin Roard 92#, Tianjin 300072 (China)

    2016-05-15

    Facilitated by TiO{sub 2} particles adsorbing lanthanide ions in hydrosol, La-doped TiO{sub 2} was produced by a hydrothermal method. The structure, optical and photoluminescence properties of down-converting photoelectrode with the La{sup 3+} were characterized by X-ray (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray detector (EDX) and N{sub 2} adsorption-desorption isotherms measurement. The photoelectric conversion efficiency of dye-sensitized solar cells (DSSCs) fabricated with 0.05 g-La/TiO{sub 2} reached 7.02%, which gave an efficiency improved by 10.36% compared with that of cells fabricated from pure TiO{sub 2}. The improvement in efficiency was ascribed to more dyes adsorbed on the surface of TiO{sub 2}. - Graphical abstract: (a) J–V curves of La-doped photoelectrodes with different La(NO{sub 3}){sub 3}·6H{sub 2}O amounts; (b) the curves of efficiency changing with the amount of La(NO{sub 3}){sub 3}·6H{sub 2}O. The photoelectric conversion efficiency of dye-sensitized solar cells (DSSCs) fabricated with 0.05 g-La/TiO{sub 2} reached 7.02%, which gave an efficiency improved by 10.36% compared with that of cells fabricated from pure TiO{sub 2}.

  7. Synthesis and crystal structure of Mg{sub 0.5}NbO{sub 2}: An ion-exchange reaction with Mg{sup 2+} between trigonal [NbO{sub 2}]{sup -} layers

    Energy Technology Data Exchange (ETDEWEB)

    Miura, Akira, E-mail: amiura@yamanashi.ac.jp [Center for Crystal Science and Technology, University of Yamanashi (Japan); Takei, Takahiro; Kumada, Nobuhiro [Center for Crystal Science and Technology, University of Yamanashi (Japan)

    2013-01-15

    A new layered niobate, Mg{sub 0.5}NbO{sub 2}, was synthesized from LiNbO{sub 2} through a cation-exchange reaction with Mg{sup 2+} at 450-550 Degree-Sign C. This is the first example of a topotactic reaction with an aliovalent cation between trigonal [NbO{sub 2}]{sup -} layers. It is proposed to be isostructural with LiNbO{sub 2} (space group; P6{sub 3}/mmc) with lattice parameters of a=2.9052(6) A, c=10.625(15) A. The lattice parameters and formation energy of Mg{sub 0.5}NbO{sub 2} crystallized in LiNbO{sub 2} form and other layered CaNb{sub 2}O{sub 4} one were calculated by density functional theory. - Graphical abstract: A new layered niobate, Mg{sub 0.5}NbO{sub 2}, was synthesized from LiNbO{sub 2} through a cation-exchange reaction with Mg{sup 2+} at 450-550 Degree-Sign C. It is isostructural with LiNbO{sub 2} with lattice parameters of a=2.9052(6) A, c=10.625(15) A. Mg{sup 2+} are described in spheres located between [NbO{sub 2}]{sup -} trigonal layers and its occupancy is 0.5. Highlights: Black-Right-Pointing-Pointer A new layered niobate, Mg{sub 0.5}NbO{sub 2}, was synthesized from LiNbO{sub 2}. Black-Right-Pointing-Pointer Cation-exchange reaction converted two monovalent Li{sup +} into one divalent Mg{sup 2+} at 450-550 Degree-Sign C. Black-Right-Pointing-Pointer Mg{sub 0.5}NbO{sub 2} was isostructural with LiNbO{sub 2} (space group; P6{sub 3}/mmc). Black-Right-Pointing-Pointer Its lattice parameters were a=2.9052(6) A and c=10.625(15) A. Black-Right-Pointing-Pointer Synthesized Mg{sub 0.5}NbO{sub 2} was calculated to be thermodynamically more favorable.

  8. In situ fabrication of novel Z-scheme Bi{sub 2}WO{sub 6} quantum dots/g-C{sub 3}N{sub 4} ultrathin nanosheets heterostructures with improved photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wei; Liu, Tian-Yu; Huang, Ting; Liu, Xiao-Heng, E-mail: xhliu@mail.njust.edu.cn; Zhu, Jun-Wu; Duan, Guo-Rong; Yang, Xu-Jie

    2015-11-15

    Graphical abstract: - Highlights: • We designed and fabricated novel Bi{sub 2}WO{sub 6} QDs/g-C{sub 3}N{sub 4} heterojunction structures. • Novel Bi{sub 2}WO{sub 6} QDs/g-C{sub 3}N{sub 4} catalysts were constructed by one-pot hydrothermal route. • The catalysts show highly efficient solar light catalytic activity. • Z-scheme mechanism was proposed to explain the enhanced catalytic activity. - Abstract: The use of solar energy is a promising means for pollution abatement or environmental remediation. In the present work, we report the design and fabrication of Bi{sub 2}WO{sub 6} QDs/g-C{sub 3}N{sub 4} binary heterojunction photocatalysts with highly efficient solar light response, wherein the Bi{sub 2}WO{sub 6} QDs were in situ uniformly immobilized on porous g-C{sub 3}N{sub 4} ultrathin nanosheets (NSs) by one-pot hydrothermal strategy. The photocatalytic performance of the Bi{sub 2}WO{sub 6} QDs/g-C{sub 3}N{sub 4} NSs hybrid composites was evaluated for the photodegradation of Rhodamine B (RhB). It was found that the mass ratio of Bi{sub 2}WO{sub 6} QDs to g-C{sub 3}N{sub 4} nanosheets in the composites significantly affects the photocatalytic activity. Higher amounts of g-C{sub 3}N{sub 4} nanosheets in Bi{sub 2}WO{sub 6} QDs/g-C{sub 3}N{sub 4} composites showed lower photocatalytic activity. The composite with 10 mg g-C{sub 3}N{sub 4} nanosheets exhibited the highest photocatalytic activity, with nearly 11-fold enhancement in photocatalytic efficiency over pure Bi{sub 2}WO{sub 6} QDs. Different from previous reports, a novel Z-scheme photocatalytic mechanism was proposed to explain the enhanced the photocatalytic efficiency.

  9. Magnetic order and crystal structure study of YNi{sub 4}Si-type NdNi{sub 4}Si

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Jinlei [Research Center for Solid State Physics and Materials, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009 (China); Isnard, O. [Université Grenoble Alpes, Inst NEEL, BP166, Grenoble F-38042 (France); CNRS, Institut NEEL, 25 rue des martyrs, Grenoble F-38042 (France); Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Ivanova, T.I. [Physics Department, Moscow State University, Moscow 119992 (Russian Federation); Koshkid' ko, Yu.S. [International Laboratory of High Magnetic Fields and Low Temperatures, Wrocław (Poland); VSB-Technical University of Ostrava, Ostrava-Poruba 70833 (Czech Republic); Bogdanov, A.E.; Nikitin, S.A. [Physics Department, Moscow State University, Moscow 119992 (Russian Federation); Suski, W. [International Laboratory of High Magnetic Fields and Low Temperatures, Wrocław (Poland); Polish Academy of Sciences, Trzebiatowski Institute of Low Temperatures and Structure Research, P.O. Box 1410, 50-950 Wrocław 2 (Poland)

    2015-02-15

    Magnetic measurements and neutron powder diffraction investigation of the magnetic structure of the orthorhombic YNi{sub 4}Si-type (space group Cmmm) NdNi{sub 4}Si compound are presented. The magnetocaloric effect of NdNi{sub 4}Si is calculated in terms of the isothermal magnetic entropy change and it reaches the maximum value of –3.3 J/kg K for a field change of 50 kOe near T{sub C}=12 K. Below ∼12 K, NdNi{sub 4}Si exhibits a commensurate b-axis collinear ferromagnetic ordering with the Cmm′m magnetic space group in a zero magnetic field. At 1.5 K, the neodymium atoms have the magnetic moment of 2.37(5) μ{sub B}. The orthorhombic crystal structure and its thermal evolution are discussed in comparison with the CaCu{sub 5}-type compound. - Graphical abstract: The NdNi{sub 4}Si supplement the series of the orthorhombic derivative of the CaCu{sub 5}-type, namely the YNi{sub 4}Si-type, RNi{sub 4}Si compounds (R=Y, La, Ce, Sm, Gd–Ho). Below ∼12 K in a zero applied magnetic field, NdNi{sub 4}Si exhibits a commensurate b-axis collinear ferromagnetic ordering with the Cmm′m magnetic space group. Compared to the CaCu{sub 5}-type NdNi{sub 4}Si compound, the YNi{sub 4}Si-type counterpart has the relatively high ferromagnetic ordering temperature (9.2 K vs. 12 K), the small magnetocaloric effect (–7.3 J/kg K vs. –3.3 J/kg K for ∆H=50 kOe), and the large magnetic anisotropy at low temperatures. In contrast with CaCu{sub 5}-type NdNi{sub 4}Si, YNi{sub 4}Si-type NdNi{sub 4}Si shows distinct hysteresis loop at 2 K.We suggest that orthorhombic distortion may be used as a prospective route for optimization of permanent magnetic properties in the family of CaCu{sub 5}-type rare earth materials. - Highlights: • Below ∼12 K the YNi{sub 4}Si-type NdNi{sub 4}Si shows a ferromagnetic ordering. • MCE of NdNi{sub 4}Si reaches value of –3.3 J/kg K in 0–50 kOe near Curie point. • NdNi{sub 4}Si exhibits b-axis ferromagnetic order with the Cmm′m magnetic space

  10. Inequality of child mortality among ethnic groups in sub-Saharan Africa.

    Science.gov (United States)

    Brockerhoff, M; Hewett, P

    2000-01-01

    Accounts by journalists of wars in several countries of sub-Saharan Africa in the 1990s have raised concern that ethnic cleavages and overlapping religious and racial affiliations may widen the inequalities in health and survival among ethnic groups throughout the region, particularly among children. Paradoxically, there has been no systematic examination of ethnic inequality in child survival chances across countries in the region. This paper uses survey data collected in the 1990s in 11 countries (Central African Republic, Côte d'Ivoire, Ghana, Kenya, Mali, Namibia, Niger, Rwanda, Senegal, Uganda, and Zambia) to examine whether ethnic inequality in child mortality has been present and spreading in sub-Saharan Africa since the 1980s. The focus was on one or two groups in each country which may have experienced distinct child health and survival chances, compared to the rest of the national population, as a result of their geographical location. The factors examined to explain potential child survival inequalities among ethnic groups included residence in the largest city, household economic conditions, educational attainment and nutritional status of the mothers, use of modern maternal and child health services including immunization, and patterns of fertility and migration. The results show remarkable consistency. In all 11 countries there were significant differentials between ethnic groups in the odds of dying during infancy or before the age of 5 years. Multivariate analysis shows that ethnic child mortality differences are closely linked with economic inequality in many countries, and perhaps with differential use of child health services in countries of the Sahel region. Strong and consistent results in this study support placing the notion of ethnicity at the forefront of theories and analyses of child mortality in Africa which incorporate social, and not purely epidemiological, considerations. Moreover, the typical advantage of relatively small, clearly

  11. VTGRAPH:Computer graphics program using ReGIS mode

    International Nuclear Information System (INIS)

    Benamar, M.A.; Benouali, N.; Tchantchane, A.; Azbouche, A.; Tobbeche, S. Centre de Developpement des Techniques Nucleaires, Laboratoire des Techniques Nucleaires, Algiers

    1993-02-01

    A computer graphics program has been developed for plotting spectra generated from different nuclear analysis techniques and discrete data for the VT240 graphics and compatible IBM PC using ST240 configuration. We have used the Remote Graphics Instruction Set (ReGIS) commands

  12. Effect of synthesis conditions on the nanopowder properties of Ce{sub 0.9}Zr{sub 0.1}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Zimicz, M.G.; Fabregas, I.O.; Lamas, D.G. [CINSO (Centro de Investigaciones en Solidos) CONICET-CITEFA J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Larrondo, S.A., E-mail: susana@di.fcen.uba.ar [Laboratorio de Procesos Cataliticos, Departamento de Ingenieria Quimica, Facultad de Ingenieria, Universidad de Buenos Aires, Pabellon de Industrias, Ciudad Universitaria, 1428 Buenos Aires (Argentina)

    2011-06-15

    Graphical abstract: . The synthesis of nanocrystalline Ce{sub 0.9}Zr{sub 0.1}O{sub 2} powders via the gel-combustion method, using different fuels, and following either stoichiometric or non-stoichiometric pH-controlled routes is investigated. Research highlights: {yields} All samples exhibited the fluorite-type crystal structure, nanometric average crystallite size and negligible carbon content. {yields} Synthesis conditions strongly affect the average crystallite size, the degree of agglomeration, the specific surface area and the pore volume. {yields} Our results indicate that, by controlling the synthesis conditions it is possible to obtain solids with custom-made morphological properties. -- Abstract: In this work, the synthesis of nanocrystalline Ce{sub 0.9}Zr{sub 0.1}O{sub 2} powders via the gel-combustion method, using different fuels, and following either stoichiometric or non-stoichiometric pH-controlled routes is investigated. The objective is to evaluate the effect of synthesis conditions on the textural and morphological properties, and the crystal structure of the synthesized materials. The solids were characterized by nitrogen physisorption, Scanning Electron Microscopy (SEM), X-ray powder diffraction (XPD), and Carbon-Hydrogen-Nitrogen Elemental Analysis (CHN). All the powders exhibited nanometric crystallite size, fluorite-type structure and negligible carbon content. Synthesis conditions strongly affect the average crystallite size, the degree of agglomeration, the specific surface area and the pore volume. Our results indicate that, by controlling the synthesis conditions it is possible to obtain solids with custom-made morphological properties.

  13. Graphic Display Development Program. Volume II, Revision 0. Appendices

    International Nuclear Information System (INIS)

    1984-12-01

    The objective of this project is to demonstrate the feasibility and utility of developing a set of graphic displays to support symptom-based emergency operating procedures (EOPs). Development of generic graphic displays is based on Revision 3 of the symptomatic Emergency Procedure Guidelines (EPGs) prepared by the BWR Owners' Group (BWROG), and development of plant-specific graphic displays is based on a set of emergency operating procedures developed from these EPGs

  14. Structure and magnetic properties of new Be-substituted langasites A{sub 3}Ga{sub 3}Ge{sub 2}BeO{sub 14} (A=Pr, Nd, and Sm)

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, A.Z., E-mail: sharmaa5@myumanitoba.ca [Department of Chemistry, University of Manitoba, 66 Chancellors Cir, Winnipeg, MB, Canada R3T 2N2 (Canada); Silverstein, H.J. [Department of Chemistry, University of Manitoba, 66 Chancellors Cir, Winnipeg, MB, Canada R3T 2N2 (Canada); Hallas, A.M. [Department of Physics and Astronomy, McMaster University, 1280 Main St. W, Hamilton, ON, Canada L8S 4M1 (Canada); Luke, G.M. [Department of Physics and Astronomy, McMaster University, 1280 Main St. W, Hamilton, ON, Canada L8S 4M1 (Canada); Canadian Institute for Advanced Research, 180 Dundas Street W, Suite 1400, Toronto, ON, Canada M5G 1Z8 (Canada); Wiebe, C.R. [Department of Chemistry, University of Manitoba, 66 Chancellors Cir, Winnipeg, MB, Canada R3T 2N2 (Canada); Department of Chemistry, University of Winnipeg, 515 Portage Ave, Winnipeg, MB, Canada R3B 2E9 (Canada); Department of Physics and Astronomy, McMaster University, 1280 Main St. W, Hamilton, ON, Canada L8S 4M1 (Canada); Canadian Institute for Advanced Research, 180 Dundas Street W, Suite 1400, Toronto, ON, Canada M5G 1Z8 (Canada)

    2016-01-15

    Langasites have been studied extensively in past for their functional properties and use in telecommunication. A thorough understanding of their ground state is limited by the difficulty in synthesizing new members belonging to this series due to the formation of competing phases such as the garnets. Three magnetic langasites A{sub 3}Ga{sub 3}Ge{sub 2}BeO{sub 14} (A=Pr, Nd, and Sm) and a non-magnetic lattice standard La{sub 3}Ga{sub 3}Ge{sub 2}BeO{sub 14} were synthesized using the ceramic method. These were further characterized by X-ray diffraction, magnetization, magnetic susceptibility and heat capacity measurements. All three langasites exhibit net antiferromagnetic interactions at low temperatures and no evidence of long range magnetic ordering was observed down to 0.350 K. - Graphical abstract: Kagome network formed by the magnetic ions in the new Be-langasites. The ground states of three new members were explored using different physical property measurements such as X-ray diffraction, magnetization, magnetic susceptibility and heat capacity (a–d show refinement patterns for the langasites). These can be added to the list of candidate spin liquid materials. - Highlights: • Four new langasites A{sub 3}Ga{sub 3}Ge{sub 2}BeO{sub 14} (A=La, Pr, Nd, and Sm) were synthesized. • These were characterized using physical and magnetic property measurements. • These langasites exhibit net antiferromagnetic interactions at low temperatures. • No evidence of long range magnetic ordering was observed down to 0.350 K. • Can be potential Spin liquid candidates.

  15. Experimental and theoretical investigations for site preference and anisotropic size change of RE{sub 11}Ge{sub 4}In{sub 6−x}M{sub x} (RE = La, Ce; M = Li, Ge; x = 1, 1.96)

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Beom-Yong; Jeon, Jieun [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of); Lee, Junseong [Department of Chemistry, Chonnam National University, Gwangju, Chonnam 500-757 (Korea, Republic of); Kim, Jongsik [Department of Chemistry, Dong-A University, Pusan 604-714 (Korea, Republic of); You, Tae-Soo [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of)

    2015-01-25

    Graphical abstract: Reported is experimental and theoretical studies to understand the site-preference between anionic elements and the anisotropic size-change of the 3-D anionic frameworks of two polar intermetallic compounds in the RE{sub 11}Ge{sub 4}In{sub 6−x}M{sub x} (RE = La, Ce; M = Li, Ge; x = 1, 1.96) phase. Indium atoms with a smaller electronegativity prefer to occupy the “dumbbell-site” having the smaller QVAL value, and the anisotropic size-change of the anionic framework in La{sub 11}Ge{sub 4}In{sub 5.00(1)}Li{sub 1.00} is rationalized by using various COHP curves analyses. - Highlights: • Site-preference between anions was elucidated by the QVAL value of each site. • Ten models with different atomic orderings were examined by coloring problems. • COHP curves explained the anisotropic size-change of La{sub 11}Ge{sub 4}In{sub 5.00(1)}Li{sub 1.00}. - Abstract: Two polar intermetallic compounds in the RE{sub 11}Ge{sub 4}In{sub 6−x}M{sub x} (RE = La, Ce; M = Li, Ge; x = 1, 1.96) series have been synthesized by conventional high-temperature reactions and characterized by both single-crystal and powder X-ray diffractions. Both compounds crystallized in the tetragonal crystal system (space group I4/mmm, Z = 4, Pearson symbol tI84) with nine crystallographically independent atomic positions in the asymmetric unit and adopted the Sm{sub 11}Ge{sub 4}In{sub 6}-type structure, which can be considered as an ordered version of the Ho{sub 11}Ge{sub 10}-type. The lattice parameters are a = 11.8370(4) Å and c = 17.2308(7) Å for La{sub 11}Ge{sub 4}In{sub 5.00(1)}Li{sub 1.00}; a = 11.8892(4) Å, c = 16.5736(7) Å for Ce{sub 11}Ge{sub 5.96(3)}In{sub 4.04}. The overall crystal structures of two isotypic compounds can be described as a combination of the cage-shaped 3-dimensional (3-D) anionic framework and three different types of cationic polyhedra filling the inside of the 3-D frameworks. Anionic elements consisting of the frameworks indicate the

  16. Crystal structure and luminescence properties of a novel red-emitting phosphor BaAlBO{sub 3}F{sub 2}:Eu{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wanping, E-mail: cwp0918@aliyun.com; Zhou, Ahong; Liu, Yan; Dai, Xiaoyan; Yang, Xin

    2014-12-15

    A series of novel red-emitting phosphors BaAlBO{sub 3}F{sub 2}:xEu{sup 3+} (0.001≤x≤0.08) were first synthesized via a high temperature solid-state reaction. X-ray diffraction and photoluminescence spectroscopy were used to characterize the crystal structure and photoluminescence properties of the phosphor, respectively. The phosphor can be effectively excited with a 395 nm light, and shows a dominant {sup 5}D{sub 0}−{sup 7}F{sub 2} emission with chromatic coordination of 0.628 and 0.372. The optimal doping concentration is about 0.04. Rietveld refinement results and the luminescence behavior of Eu{sup 3+} indicate that the Eu{sup 3+} ion occupies a C{sub 3} symmetry site, and the host BaAlBO{sub 3}F{sub 2} has a hexagonal structure with P-6 space group. In addition, the phosphor could be a potential candidate as red-emitting phosphor for application in white light-emitting diode. - Graphical abstract: The luminescence behavior and Rietveld refinement of BaAlBO{sub 3}F{sub 2}:Eu{sup 3+} indicate that the red-emitting phosphor has potential application in white LED and the host has a hexagonal structure with P-6 space group. - Highlights: • A novel red-emitting phosphor BaAlBO{sub 3}F{sub 2}:Eu{sup 3+} is first synthesized. • The crystal structure of BaAlBO{sub 3}F{sub 2} is confirmed. • The phosphor shows potential application in white LED.

  17. Hand-held cell phone use while driving legislation and observed driver behavior among population sub-groups in the United States.

    Science.gov (United States)

    Rudisill, Toni M; Zhu, Motao

    2017-05-12

    Cell phone use behaviors are known to vary across demographic sub-groups and geographic locations. This study examined whether universal hand-held calling while driving bans were associated with lower road-side observed hand-held cell phone conversations across drivers of different ages (16-24, 25-59, ≥60 years), sexes, races (White, African American, or other), ruralities (suburban, rural, or urban), and regions (Northeast, Midwest, South, and West). Data from the 2008-2013 National Occupant Protection Use Survey were merged with states' cell phone use while driving legislation. The exposure was presence of a universal hand-held cell phone ban at time of observation. Logistic regression was used to assess the odds of drivers having a hand-held cell phone conversation. Sub-groups differences were assessed using models with interaction terms. When universal hand-held cell phone bans were effective, hand-held cell phone conversations were lower across all driver demographic sub-groups and regions. Sub-group differences existed among the sexes (p-value, phone bans, the adjusted odds ratio (aOR) of a driver hand-held phone conversation was 0.34 [95% confidence interval (CI): 0.28, 0.41] for females versus 0.47 (CI 0.40, 0.55) for males and 0.31 (CI 0.25, 0.38) for drivers in Western states compared to 0.47 (CI 0.30, 0.72) in the Northeast and 0.50 (CI 0.38, 0.66) in the South. The presence of universal hand-held cell phone bans were associated lower hand-held cell phone conversations across all driver sub-groups and regions. Hand-held phone conversations were particularly lower among female drivers and those from Western states when these bans were in effect. Public health interventions concerning hand-held cell phone use while driving could reasonably target all drivers.

  18. Critical frameworks for graphic design: graphic design and visual culture

    OpenAIRE

    Dauppe, Michele-Anne

    2011-01-01

    The paper considers an approach to the study of graphic design which addresses the expanding nature of graphic design in the 21st century and the purposeful application of theory to the subject of graphic design. In recent years graphic design has expanded its domain from the world of print culture (e.g. books, posters) into what is sometimes called screen culture. Everything from a mobile phone to a display in an airport lounge to the A.T.M. carries graphic design. It has become ever more ub...

  19. Magnetic ordering of YPd{sub 2}Si-type HoNi{sub 2}Si and ErNi{sub 2}Si compounds

    Energy Technology Data Exchange (ETDEWEB)

    Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow, 119992 (Russian Federation); Isnard, O. [CNRS, Insitut. Néel, 25 Rue Des Martyrs BP166 x, F-38042 Grenoble (France); Université Grenoble Alpes, Inst. Néel, F-38042 Grenoble (France); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600 036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

    2016-12-01

    Magnetic properties of YPd{sub 2}Si-type HoNi{sub 2}Si and ErNi{sub 2}Si were investigated via neutron diffraction and magnetisation measurements. HoNi{sub 2}Si and ErNi{sub 2}Si show ferromagnetic-like ordering at T{sub C} of 9 K and 7 K, respectively. The paramagnetic Weiss temperatures are 9 K and 11 K and the effective magnetic moments are 10.76 μ{sub B}/fu and 9.79 μ{sub B}/fu for HoNi{sub 2}Si and ErNi{sub 2}Si compounds, respectively. The HoNi{sub 2}Si and ErNi{sub 2}Si are soft ferromagnets with saturation magnetization of 8.1 μ{sub B}/fu and 7.5 μ{sub B}/fu, respectively at 2 K and in field of 140 kOe. The isothermal magnetic entropy change, ΔS{sub m}, has a maximum value of −15.6 J/kg·K at 10 K for HoNi{sub 2}Si and −13.9 J/kg·K at 6 K for ErNi{sub 2}Si for a field change of 50 kOe. Neutron diffraction study in zero applied field shows mixed ferromagnetic-antiferromagnetic ordering of HoNi{sub 2}Si at ~9 K and its magnetic structure is a sum of a-axis ferromagnetic F{sub a}, b-axis antiferromagnetic AF{sub b} and c-axis antiferrromagnetic AF{sub c} components of Pn′a2{sub 1}′={1, m_x′/[1/2, 1/2, 1/2], 2_y′/[0, 1/2, 0], m_z/[1/2, 0, 1/2]} magnetic space group and propagation vector K{sub 0}=[0, 0, 0]. The holmium magnetic moment reaches a value of 9.23(9) μ{sub B} at 1.5 K and the unit cell of HoNi{sub 2}Si undergoes isotropic contraction around the temperature of magnetic transition. - Graphical abstract: HoNi{sub 2}Si: mixed ferro-antiferromagnet (F{sub a}+AF{sub b}+AF{sub c}){sup K0} with Pn′a2{sub 1}′ magnetic space group and K{sub 0}=[0, 0, 0] propagation vector below 10 K. - Highlights: • Ferro-antiferromagnetic ordering is observed in HoNi{sub 2}Si at 9 K and in ErNi{sub 2}Si at 7 K. • HoNi{sub 2}Si is soft ferromagnet with ΔS{sub m} of −15.6 J/kg·K at 10 K in field of 0–50 kOe. • ErNi{sub 2}Si is soft ferromagnet with ΔS{sub m} of −13.9 J/kg·K at 6 K in field of 0–50 kOe. • HoNi{sub 2}Si shows mixed F

  20. CONSIDERATIONS ABOUT APPLICATION OF GRAPHICAL CALCULUS

    Directory of Open Access Journals (Sweden)

    Anghel Alina Angelica

    2015-06-01

    Full Text Available Some typical engineering problems can be solved using graphical methods in an integrated way for knowledge of design, mathematics, mechanics and physics. This paper presents some graphical methods which improve student’s performances on streigth of intuitive interpretation, visualization and understanding solutions of engineering problems. The increased use of graphical methods adds another layer of interpretation to a given task requiring the coordination of different knowledge, in order to produce a correct solution and to improve the product design.

  1. Synthesis, characterization and catalytic activity of acid-base bifunctional materials through protection of amino groups

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Yanqiu [College of Chemistry, Jilin University, Changchun 130023 (China); College of Chemistry, Mudanjiang Normal University, Mudanjiang 157012 (China); Liu, Heng; Yu, Xiaofang [College of Chemistry, Jilin University, Changchun 130023 (China); Guan, Jingqi, E-mail: guanjq@jlu.edu.cn [College of Chemistry, Jilin University, Changchun 130023 (China); Kan, Qiubin, E-mail: qkan@mail.jlu.edu.cn [College of Chemistry, Jilin University, Changchun 130023 (China)

    2012-03-15

    Graphical abstract: Acid-base bifunctional mesoporous material SO{sub 3}H-SBA-15-NH{sub 2} was successfully synthesized under low acidic medium through protection of amino groups. Highlights: Black-Right-Pointing-Pointer The acid-base bifunctional material SO{sub 3}H-SBA-15-NH{sub 2} was successfully synthesized through protection of amino groups. Black-Right-Pointing-Pointer The obtained bifunctional material was tested for aldol condensation. Black-Right-Pointing-Pointer The SO{sub 3}H-SBA-15-NH{sub 2} catalyst containing amine and sulfonic acid groups exhibited excellent acid-basic properties. -- Abstract: Acid-base bifunctional mesoporous material SO{sub 3}H-SBA-15-NH{sub 2} was successfully synthesized under low acidic medium through protection of amino groups. X-ray diffraction (XRD), N{sub 2} adsorption-desorption, transmission electron micrographs (TEM), back titration, {sup 13}C magic-angle spinning (MAS) NMR and {sup 29}Si magic-angle spinning (MAS) NMR were employed to characterize the synthesized materials. The obtained bifunctional material was tested for aldol condensation reaction between acetone and 4-nitrobenzaldehyde. Compared with monofunctional catalysts of SO{sub 3}H-SBA-15 and SBA-15-NH{sub 2}, the bifunctional sample of SO{sub 3}H-SBA-15-NH{sub 2} containing amine and sulfonic acid groups exhibited excellent acid-basic properties, which make it possess high activity for the aldol condensation.

  2. Fractal geometry and computer graphics

    CERN Document Server

    Sakas, Georgios; Peitgen, Heinz-Otto; Englert, Gabriele

    1992-01-01

    Fractal geometry has become popular in the last 15 years, its applications can be found in technology, science, or even arts. Fractal methods and formalism are seen today as a general, abstract, but nevertheless practical instrument for the description of nature in a wide sense. But it was Computer Graphics which made possible the increasing popularity of fractals several years ago, and long after their mathematical formulation. The two disciplines are tightly linked. The book contains the scientificcontributions presented in an international workshop in the "Computer Graphics Center" in Darmstadt, Germany. The target of the workshop was to present the wide spectrum of interrelationships and interactions between Fractal Geometry and Computer Graphics. The topics vary from fundamentals and new theoretical results to various applications and systems development. All contributions are original, unpublished papers.The presentations have been discussed in two working groups; the discussion results, together with a...

  3. High pressure structural investigation on alluaudites Na{sub 2}Fe{sub 3}(PO{sub 4}){sub 3}-Na{sub 2}FeMn{sub 2}(PO{sub 4}){sub 3} system

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Jing [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Huang, Weifeng [College of Engineering, Peking University, Beijing 100871 (China); Qin, Shan [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: wuxiang@cug.edu.cn [State key laboratory of geological processes and mineral resources, China University of Geosciences, Wuhan 430074 (China)

    2017-03-15

    Alluaudites are promising electrochemical materials benefited from the open structure. Structural variations of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) system have been studied by synchrotron radiation X-ray diffraction combined with diamond anvil cell technique up to ~10 GPa at room temperature. No phase transition is observed. The excellent structural stability is mainly due to the flexible framework plus strong covalent P-O bond. Mn{sup 2+} instead of Fe can be described as Na{sup +}+2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy. The replacement of Fe with larger Mn{sup 2+} is equivalent to applying negative chemical pressure to the material. And it causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe. External pressure effect produces anisotropic lattice shrinkage. Structural considerations related to these variations and promising application prospects are discussed. - Graphical abstract: Figure 1 The crystal structure of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) projected along the c-axis. Alluaudites adopt a flexible framework plus strong covalent P-O bond, which contribute to excellent structural stability up to ~10 GPa. Mn{sup 2+} instead of Fe can be described as Na{sup ++}2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy, and it is equivalent to applying negative chemical pressure to the host. The substitution causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe.

  4. The large second-harmonic generation of LiCs{sub 2}PO{sub 4} is caused by the metal-cation-centered groups

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Xiyue; Guo, Guo-Cong; Hong, Maochun; Deng, Shuiquan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Whangbo, Myung-Hwan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Department of Chemistry, North Carolina State University, Raleigh, NC (United States)

    2018-04-03

    We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs{sub 2}PO{sub 4} (LCPO) by introducing the partial response functionals on the basis of first principles calculations. The SHG response of LCPO is dominated by the metal-cation-centered groups CsO{sub 6} and LiO{sub 4}, not by the nonmetal-cation-centered groups PO{sub 4} expected from the existing models and theories. The SHG coefficients of LCPO are determined mainly by the occupied orbitals O 2p and Cs 5p as well as by the unoccupied orbitals Cs 5d and Li 2p. For the SHG response of a material, the polarizable atomic orbitals of the occupied and the unoccupied states are both important. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Interaction of different poisons with MgCl{sub 2}/TiCl{sub 4} based Ziegler-Natta catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Bahri-Laleh, Naeimeh, E-mail: n.bahri@ippi.ac.ir

    2016-08-30

    Highlights: • The interactions between different classes of poison molecules and TiCl{sub 4}/MgCl{sub 2} type Ziegler-Natta catalyst is considered. • Poisons strongly stabilize MgCl{sub 2} crystal surfaces, mostly Ti active center relative to the unpoisoned solid. • Poison molecules decrease catalyst activity by increasing E{sub TS} in olefin polymerization. • Poison molecules do not have significant effect in stereospecifity of ZN catalysts in propylene polymerization. - Abstract: Adsorption of different poison molecules on activated MgCl{sub 2} is investigated within DFT using a cluster model of the MgCl{sub 2} surface with (MgCl{sub 2}){sub 16} formula containing four 4-coordinated and eight 5-coordinated Mg atoms as (110) and (104) surfaces, respectively. Studied poison molecules are chosen as possible impurities in hydrocarbon solvents and monomer feeds and contain water, hydrogensulfide, carbondioxide, molecular oxygen and methanol. First, adsorption of 1–4 molecules of different poisons to the (104) and (110) lateral cuts of MgCl{sub 2}, as well as their adsorption on [MgCl{sub 2}]/TiCl{sub 2}Et active center and AlEt{sub 3} cocatalyst is considered. Results reveal that poisons strongly stabilize both crystal surfaces, mostly Ti active center relative to the unpoisoned solid. Second, energy barrier (E{sub TS}) for ethylene insertion in the presence of different poisons located on the first and second Mg atom relative to the active Ti is calculated. While poison molecule located on the second Mg does not change E{sub TS}, coordination of it into the first Mg atom increases E{sub TS} by 0.9–1.2 kcal mol{sup −1}. In the last part of this manuscript, the stereoselective behavior of active Ti species, with and without poison molecules and external electron donor, is fully explored.

  6. Thin (111) oriented CoFe{sub 2}O{sub 4} and Co{sub 3}O{sub 4} films prepared by decomposition of layered cobaltates

    Energy Technology Data Exchange (ETDEWEB)

    Buršík, Josef, E-mail: bursik@iic.cas.cz [Institute of Inorganic Chemistry of the Academy of Sciences of the Czech Republic, v.v.i., 250 68 Husinec-Řež 1001 (Czech Republic); Soroka, Miroslav, E-mail: soroka@iic.cas.cz [Institute of Inorganic Chemistry of the Academy of Sciences of the Czech Republic, v.v.i., 250 68 Husinec-Řež 1001 (Czech Republic); Uhrecký, Róbert, E-mail: uhrecky@iic.cas.cz [Institute of Inorganic Chemistry of the Academy of Sciences of the Czech Republic, v.v.i., 250 68 Husinec-Řež 1001 (Czech Republic); Kužel, Radomír, E-mail: kuzel@karlov.mff.cuni.cz [Charles University in Prague, Faculty of Mathematics and Physics, Ke Karlovu 5, 121 16 Praha 2 (Czech Republic); Mika, Filip, E-mail: filip.mika@isibrno.cz [Institute of Scientific Instruments, Academy of Sciences of the Czech Republic, v.v.i., Královopolská 147, 612 64 Brno (Czech Republic); Huber, Štěpán, E-mail: stepan.huber@vscht.cz [University of Chemistry and Technology, Faculty of Chemical Technology, Technická 5, 166 28 Prague 6 (Czech Republic)

    2016-07-15

    Graphical abstract: Pole figures of NaCoO{sub 2} (left) and of CoFe{sub 2}O{sub 4} (right) films formed through the transformation of O3-type NaCoO{sub 2} phase in consequence of sodium deintercalation occurring at 800 °C. Films were prepared by chemical solution deposition on MgO(111) substrate. - Highlights: • Epitaxial Na(CoFe)O{sub 2} thin films by means of chemical solution deposition were prepared. • Oriented spinel films through transformation of Na(CoFe)O{sub 2} were obtained. • Orientation relation to MgO, SrTiO{sub 3} and Zr(Y)O{sub 2} substrates were determined. • Structural aspects of Na(CoFe)O{sub 2} → CoFe{sub 2}O{sub 4} transformation pathway were elucidated. - Abstract: The formation and structural characterization of highly (111)-oriented Co{sub 3}O{sub 4} and CoFe{sub 2}O{sub 4} films prepared by a novel procedure from 00l-oriented NaCoO{sub 2} and Na(CoFe)O{sub 2} is reported. The Na(CoFe)O{sub 2} films were deposited on MgO, SrTiO{sub 3}, LaAlO{sub 3}, and Zr(Y)O{sub 2} single crystals with (100) and (111) orientations by chemical solution deposition method and crystallized at 700 °C. Subsequently they were transformed into (111)-oriented spinel phase during post-growth annealing at 800–1000 °C. Morphology and structure of the films was investigated by means of scanning electron microscopy and X-ray diffraction. While all spinel films exhibit pronounced out-of-plane orientation irrespective of substrate, the rate of in-plane orientation strongly depend on lattice misfit values. Different epitaxial phenomena ranging from true one-to-one epitaxy to the existence of many-to-one epitaxy involving two or more orientations were determined by full 3D texture analysis.

  7. Achieving graphical excellence: suggestions and methods for creating high-quality visual displays of experimental data.

    Science.gov (United States)

    Schriger, D L; Cooper, R J

    2001-01-01

    Graphics are an important means of communicating experimental data and results. There is evidence, however, that many of the graphics printed in scientific journals contain errors, redundancies, and lack clarity. Perhaps more important, many graphics fail to portray data at an appropriate level of detail, presenting summary statistics rather than underlying distributions. We seek to aid investigators in the production of high-quality graphics that do their investigations justice by providing the reader with optimum access to the relevant aspects of the data. The depiction of by-subject data, the signification of pairing when present, and the use of symbolic dimensionality (graphing different symbols to identify relevant subgroups) and small multiples (the presentation of an array of similar graphics each depicting one group of subjects) to portray stratification are stressed. Step-by-step instructions for the construction of high-quality graphics are offered. We hope that authors will incorporate these suggestions when developing graphics to accompany their manuscripts and that this process will lead to improvements in the graphical literacy of scientific journals. We also hope that journal editors will keep these principles in mind when refereeing manuscripts submitted for peer review.

  8. Microwave dielectric properties and microstructure of Ba{sub 6−3x}Nd{sub 8+2x}Ti{sub 18−y}(Cr{sub 1/2}Nb{sub 1/2}){sub y}O{sub 54} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Xia [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Jianshe Road, Chengdu 610054 (China); Tang, Bin, E-mail: tangbin@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Jianshe Road, Chengdu 610054 (China); Liu, Jiaqin [Sichuan Special Equipment Inspection Institute, Dongfeng Road, Chengdu 610061 (China); Chen, Hetuo; Zhang, Shuren [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Jianshe Road, Chengdu 610054 (China)

    2015-10-15

    The microwave dielectric properties and the morphology of Ba{sub 6−3x}Nd{sub 8+2x}Ti{sub 18−y}(Cr{sub 1/2}Nb{sub 1/2}){sub y}O{sub 54} (x = 0.75, 0 ≤ y ≤ 3.0) ceramics prepared under different sintering conditions were investigated in this work. The effects of substitutions on the microstructure and microwave dielectric properties were discussed. The X-ray diffraction (XRD) patterns of the sintered samples revealed a single-phase formation BaNd{sub 2}Ti{sub 4}O{sub 12} with a tungsten bronze type structure in the system. The results of energy dispersive spectrometer (EDS) and lattice parameters calculated on XRD data could confirm the substitution at B-site. A small amount of substitutions improved quality factor value (Q × f) and the temperature coefficient of resonant frequency (τ{sub f}) but led to a decrease of the permittivity. The temperature coefficient of resonant frequency (τ{sub f}) was found to decrease with increasing substitutions because of the declination of tolerance factor (t). And the τ{sub f} could be adjusted from +62.4 ppm/°C to −7.3 ppm/°C with increment of substitutions. Finally, excellent dielectric properties were obtained as y was 0.5 sintered at 1400 °C for 2 h in air: ε{sub r} = 88.6, Q × f = 11486 GHz, τ{sub f} = +37.1 ppm/°C. - Graphical abstract: It was evident that the tendency of the τ{sub f} was consistent with the variation of tolerance factor (t). The τ{sub f} was much affected by the titling of Ti–O octahedral that bigger ionic radius of (Cr{sub 1/2}Nb{sub 1/2}){sup 4+} substituted for Ti{sup 4+} would significantly reduce the temperature coefficient of resonant frequency. - Highlights: • (Cr{sub 1/2}Nb{sub 1/2}){sup 4+} substitution for Ti{sup 4+} would low down the τ{sub f} of the samples. • The Cr{sup 3+} substitution for Ti{sup 4+} would promote the quality factor. • (Cr{sub 1/2}Nb{sub 1/2}){sup 4+} substitution for Ti{sup 4+} makes the permittivity maintain a high value. • The high Q × f

  9. Divide and Conquer: Sub-Grouping of ASD Improves ASD Detection Based on Brain Morphometry

    Science.gov (United States)

    Baum, Stefi A.; Cahill, Nathan D.; Michael, Andrew M.

    2016-01-01

    Low success (ASD) classification using brain morphometry from the large multi-site ABIDE dataset and inconsistent findings on brain morphometric abnormalities in ASD can be attributed to the ASD heterogeneity. In this study, we show that ASD brain morphometry is highly heterogeneous, and demonstrate that the heterogeneity can be mitigated and classification improved if autism severity (AS), verbal IQ (VIQ) and age are used with morphometric features. Morphometric features from structural MRIs (sMRIs) of 734 males (ASD: 361, controls: 373) of ABIDE were derived using FreeSurfer. Applying the Random Forest classifier, an AUC of 0.61 was achieved. Adding VIQ and age to morphometric features, AUC improved to 0.68. Sub-grouping the subjects by AS, VIQ and age improved the classification with the highest AUC of 0.8 in the moderate-AS sub-group (AS = 7–8). Matching subjects on age and/or VIQ in each sub-group further improved the classification with the highest AUC of 0.92 in the low AS sub-group (AS = 4–5). AUC decreased with AS and VIQ, and was the lowest in the mid-age sub-group (13–18 years). The important features were mainly from the frontal, temporal, ventricular, right hippocampal and left amygdala regions. However, they highly varied with AS, VIQ and age. The curvature and folding index features from frontal, temporal, lingual and insular regions were dominant in younger subjects suggesting their importance for early detection. When the experiments were repeated using the Gradient Boosting classifier similar results were obtained. Our findings suggest that identifying brain biomarkers in sub-groups of ASD can yield more robust and insightful results than searching across the whole spectrum. Further, it may allow identification of sub-group specific brain biomarkers that are optimized for early detection and monitoring, increasing the utility of sMRI as an important tool for early detection of ASD. PMID:27065101

  10. New quaternary oxides with both families of second-order Jahn–Teller (SOJT) distortive cations: Solid-state synthesis, structure determination, and characterization of YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yeong Hun [Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of); Jeon, Beom-Yong; You, Tae-Soo [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of)

    2015-07-15

    Graphical abstract: Ball-and-stick representation of YNbTe{sub 2}O{sub 8} composed of polyhedra of SOJT distortive cations, i.e., NbO{sub 6} and TeO{sub 3}, in the ac-plane. - Highlights: • Two novel tellurite and selenite (YNbQ{sub 2}O{sub 8}; Q = Te and Se) are synthesized. • YNbQ{sub 2}O{sub 8} possess both families of second-order Jahn–Teller distortive cations. • The distortive environments and bonding nature are supported by electronic structure calculations. - Abstract: Two novel quaternary mixed metal tellurite and selenite, YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8}, respectively, have been synthesized through standard solid-state reactions using Y{sub 2}O{sub 3}, Nb{sub 2}O{sub 5}, TeO{sub 2} or SeO{sub 2} as reagents. Single crystal X-ray and powder neutron diffraction analyses have been utilized to determine the structures of the reported materials. YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8} are isostructural to each other and crystallize in the monoclinic centrosymmetric space group, C2/m (No. 12). Due to the two families of constituent second-order Jahn–Teller (SOJT) distortive cations, i.e., Nb{sup 5+} and Te{sup 4+}/Se{sup 4+}, local asymmetric environments occur from the three-dimensional frameworks. Intra-octahedral distortions along the local C{sub 4} direction and asymmetric trigonal pyramidal coordination moieties generated by stereoactive lone pairs are observed from the NbO{sub 6} octahedra and TeO{sub 3} (or SeO{sub 3}) polyhedra, respectively. Thermogravimetric analysis, infrared and UV–vis diffuse reflectance spectroscopies, elemental analysis, out-of-center distortions, dipole moment calculations, and electronic structure calculations for the reported materials are presented.

  11. Synthesis and electrochemical characterization of Ti{sub x}Ta{sub y}Al{sub z}N{sub 1-δ}O{sub γ} for fuel cell catalyst supports

    Energy Technology Data Exchange (ETDEWEB)

    Wakabayashi, Ryo H.; Abruña, Héctor D., E-mail: hda1@cornell.edu; DiSalvo, Francis J., E-mail: fjd3@cornell.edu

    2017-02-15

    Quinary Ti{sub x}Ta{sub y}Al{sub z}N{sub 1-δ}O{sub γ} of various compositions have been prepared by a co-precipitation method followed by ammonolysis. The nitride samples were examined as potential catalyst supports in polymer electrolyte membrane fuel cells. The nitride products crystallized in the rock salt (NaCl) structure over a wide range of compositions. The addition of Ta and Al was highly beneficial towards improving the chemical and electrochemical stability of TiN, without a significant loss of electrical conductivity. Platinum particles were successfully deposited on the (oxy)nitride samples, and the composite samples at some compositions were found to be comparable to Pt/carbon in their stability and catalytic activity even without optimizing the Pt deposition and dispersion processes. - Graphical abstract: The effect of additions of Ta and Al into TiN structure. Shifts the lattice constant, and increases its chemical stability in acidic environment.

  12. Perovskite-type La{sub 2}Ti{sub 2}O{sub 7} mesoporous photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Onozuka, K.; Kawakami, Y.; Imai, H.; Yokoi, T.; Tatsumi, T. [Chemical Resources Laboratory, Tokyo Institute of Technology, R1-10, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Kondo, J.N., E-mail: jnomura@res.titech.ac.jp [Chemical Resources Laboratory, Tokyo Institute of Technology, R1-10, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2012-08-15

    Crystalline particles of mesoporous La{sub 2}Ti{sub 2}O{sub 7}, a perovskite-type material, were prepared by hydrothermal synthesis at 210 Degree-Sign C in the presence of structure directing agent. Crystallization and simultaneous sintering occurred in the time course of the hydrothermal treatment, resulting in the improvement in crystallinity with a sacrifice of the decrease in surface area. The photocatalytic property was evaluated by hydrogen evolution from water with methanol sacrificial agent. The increase and the decrease of the material in crystallinity and surface area were responsible for the photocatalytic activity: the activity was improved by crystallization but the concurrent decrease in surface area (increase in size) of crystalline particles was disadvantageous. - Graphical abstract: A homogeneous mixture of La and Ti oxide with amorphous inorganic network was hydrothermally crystallized at low temperatures to a perovskite-type La{sub 2}Ti{sub 2}O{sub 7}. The small La{sub 2}Ti{sub 2}O{sub 7} particles with high crystallinity showed a potential as a photocatalyst for H{sub 2} evolution. Highlights: Black-Right-Pointing-Pointer Crystalline mesopourous La{sub 2}Ti{sub 2}O{sub 7} was prepared. Black-Right-Pointing-Pointer Hydrothermal treatment encouraged low temperature crystallization. Black-Right-Pointing-Pointer Small crystalline domain was advantageous to a photocatalytic reaction.

  13. Nanostructured nickel doped β-V{sub 2}O{sub 5} thin films for supercapacitor applications

    Energy Technology Data Exchange (ETDEWEB)

    Jeyalakshmi, K. [Department of Physics, PSNA College of Engineering and Technology, Dindigul 624622 (India); Vijayakumar, S. [Department of Physics, Gandhigram Rural Institute, Gandhigram 624302 (India); Purushothaman, K.K. [Department of Physics, TRP Engineering College, Trichy (India); Muralidharan, G., E-mail: muralg@rediffmail.com [Department of Physics, Gandhigram Rural Institute, Gandhigram 624302 (India)

    2013-07-15

    Graphical abstract: - Highlights: • Nanorod with pores has been observed for 5 wt.% nickel doped β-V{sub 2}O{sub 5} thin films. • Film with 5 wt.% of nickel exhibits a specific capacitance of 417 F g{sup −1}. • These films exhibit high energy density. • The charge transfer resistance is 103 Ω. - Abstract: Interesting thin film electrodes of nickel doped vanadium pentoxide with different levels of doping (2.5–10 wt.%) are prepared on FTO and glass substrate at 300 °C using sol–gel spin coating method. The structural and morphological studies are made to understand the nature of the surface of the thin films. The electrochemical characteristics have been investigated through cyclic voltammetry and ac impedance spectroscopy measurements. The doping of nickel with β-V{sub 2}O{sub 5} has led to enhanced intercalation and deintercalation of ions. β-V{sub 2}O{sub 5} films with 5 wt.% of Ni exhibit the maximum specific capacitance of 417 F/g at a scan rate of 5 mV/s, with a good cyclic stability making it a promising candidate for supercapacitor application.

  14. Thio-, selenido-, and telluridogermanates(III): K/sub 6/Ge/sub 2/S/sub 6/, K/sub 6/Ge/sub 2/Se/sub 6/, and Na/sub 6/Ge/sub 2/Te/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Eisenmann, B; Kieselbach, E; Schaefer, H; Schrod, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

    1984-09-01

    The new compounds K/sub 6/Ge/sub 2/S/sub 6/ and K/sub 6/Ge/sub 2/Se/sub 6/ crystallize in the monoclinic system, space group C2/m (No 12). The compounds are isotypic and form the K/sub 6/Si/sub 2/Te/sub 6/ structure. Na/sub 6/Ge/sub 2/Te/sub 6/ crystallizes in the K/sub 6/Sn/sub 2/Te/sub 6/ structure, monoclinic, space group P2/sub 1//c (No 14). The lattice constants are given.

  15. Synthesis, thermal and electrical properties of Al-doped Bi{sub 4}V{sub 1.8}Cu{sub 0.2}O{sub 10.7}

    Energy Technology Data Exchange (ETDEWEB)

    Essalim, R.; Ammar, A.; Tanouti, B. [Laboratoire des Sciences des Matériaux Inorganiques et leurs Applications (LASMIA), Equipe Matériaux à Faible Dimensionnalité(EMAFAD), Faculté des Sciences, Semlalia, Av. My Abdellah, B.P. 2390 Marrakech (Morocco); Mauvy, F., E-mail: fabrice.mauvy@cnrs.fr [Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB) CNRS UPR 9048, Université de Bordeaux, 87, Av. Dr A. Schweitzer, 33608 Pessac (France)

    2016-08-15

    Partial substitution of copper with aluminum in Bi{sub 4}V{sub 1.8}Cu{sub 0.2}O{sub 10.7} has led to the Bi{sub 4}V{sub 1.8}Cu{sub 0.2−x}Al{sub x}O{sub 10.7+x/2} solid solution. X-ray diffraction and thermal analysis have shown that the compounds with x=0.05 and x=0.10 are tetragonal with γ′ form of Bi{sub 4}V{sub 2}O{sub 11}, while the compound with x=0.15 is of β polymorph. The effect of Al{sup 3+} doping on electrical conductivity has been studied using Electrochemical Impedance Spectroscopy. The electrical conductivity of doped samples along with the amount of Al{sup 3+} has been studied by electrochemical impedance spectroscopy in the temperature range 250–700 °C. The slope changes observed in the Arrhenius plots agree with the microstructural transitions occurring in these compounds. The highest ionic conductivity values are obtained for the sample with x=0.05. - Graphical abstract: Arrhenius plots of the electrical conductivity of the of Bi{sub 4}V{sub 1.8}Cu{sub 0.2−x}Al{sub x}O{sub 10.7+x/2} compounds. Display Omitted.

  16. A Data-Driven Method for Selecting Optimal Models Based on Graphical Visualisation of Differences in Sequentially Fitted ROC Model Parameters

    Directory of Open Access Journals (Sweden)

    K S Mwitondi

    2013-05-01

    Full Text Available Differences in modelling techniques and model performance assessments typically impinge on the quality of knowledge extraction from data. We propose an algorithm for determining optimal patterns in data by separately training and testing three decision tree models in the Pima Indians Diabetes and the Bupa Liver Disorders datasets. Model performance is assessed using ROC curves and the Youden Index. Moving differences between sequential fitted parameters are then extracted, and their respective probability density estimations are used to track their variability using an iterative graphical data visualisation technique developed for this purpose. Our results show that the proposed strategy separates the groups more robustly than the plain ROC/Youden approach, eliminates obscurity, and minimizes over-fitting. Further, the algorithm can easily be understood by non-specialists and demonstrates multi-disciplinary compliance.

  17. EPICS-QT based graphical user interface for accelerator control

    International Nuclear Information System (INIS)

    Basu, A.; Singh, S.K.; Rosily, Sherry; Bhagwat, P.V.

    2016-01-01

    Particle accelerators and many industrial complex systems, require a robust and efficient control for its proper operation to achieve required beam quality, safety of its sub component and all working personnel. This control is executed via a graphical user interface through which an operator interacts with the accelerator to achieve the desired state of the machine and its output. Experimental Physics and Industrial Control System (EPICS) is a widely used control system framework in the field of accelerator control. It acts as a middle layer between field devices and graphic user interface used by the operator. Field devices can also be made EPICS compliant by using EPICS based software in that. On the other hand Qt is a C++ framework which is widely used for creating very professional looking and user friendly graphical component. In Low Energy High Intensity Proton Accelerator (LEHIPA), which is the first stage of the three stage Accelerator Driven System (ADS) program taken by Bhabha Atomic Research Centre (BARC), it is decided that EPICS will be used for controlling the accelerator and Qt will be used for developing the various Graphic User Interface (GUI) for operation and diagnostics. This paper discuss the work carried out to achieve this goal in LEHIPA

  18. Topographic Digital Raster Graphics - USGS DIGITAL RASTER GRAPHICS

    Data.gov (United States)

    NSGIC Local Govt | GIS Inventory — USGS Topographic Digital Raster Graphics downloaded from LABINS (http://data.labins.org/2003/MappingData/drg/drg_stpl83.cfm). A digital raster graphic (DRG) is a...

  19. Measuring Cognitive Load in Test Items: Static Graphics versus Animated Graphics

    Science.gov (United States)

    Dindar, M.; Kabakçi Yurdakul, I.; Inan Dönmez, F.

    2015-01-01

    The majority of multimedia learning studies focus on the use of graphics in learning process but very few of them examine the role of graphics in testing students' knowledge. This study investigates the use of static graphics versus animated graphics in a computer-based English achievement test from a cognitive load theory perspective. Three…

  20. Phase transformation of Ca{sub 4}[Al{sub 6}O{sub 12}]SO{sub 4} and its disordered crystal structure at 1073 K

    Energy Technology Data Exchange (ETDEWEB)

    Kurokawa, Daisuke [Department of Materials Science and Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); R and D Center, Taiheiyo Cement Corporation, Chiba 285-8655 (Japan); Takeda, Seiya [Department of Materials Science and Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Colas, Maggy [Science des Proce' de' s Ce' ramiques et de Traitements de Surface (SPCTS), UMR 7315 CNRS, Universite' de Limoges, Centre Europe' en de la Ce' ramique, 12 Rue Atlantis, 87068 Limoges Cedex (France); Asaka, Toru [Department of Materials Science and Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Thomas, Philippe [Science des Proce' de' s Ce' ramiques et de Traitements de Surface (SPCTS), UMR 7315 CNRS, Universite' de Limoges, Centre Europe' en de la Ce' ramique, 12 Rue Atlantis, 87068 Limoges Cedex (France); Fukuda, Koichiro, E-mail: fukuda.koichiro@nitech.ac.jp [Department of Materials Science and Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan)

    2014-07-01

    The phase transformation of Ca{sub 4}[Al{sub 6}O{sub 12}]SO{sub 4} and the crystal structure of its high-temperature phase were investigated by differential thermal analysis, temperature-dependent Raman spectroscopy and high-temperature X-ray powder diffraction (CuKα{sub 1}). We determined the starting temperature of the orthorhombic-to-cubic transformation during heating (=711 K) and that of the reverse transformation during cooling (=742 K). The thermal hysteresis was negative (=−31 K), suggesting the thermoelasticity of the transformation. The space group of the high temperature phase is I4{sup ¯}3m with the unit-cell dimensions of a=0.92426(2) nm and V=0.78955(2) nm{sup 3} (Z=2) at 1073 K. The initial structural model was derived by the direct methods and further refined by the Rietveld method. The final structural model showed the orientational disordering of SO{sub 4} tetrahedra. The maximum-entropy method-based pattern fitting method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. At around the transformation temperature during heating, the vibrational spectra, corresponding to the Raman-active SO{sub 4} internal stretching mode, showed the continuous and gradual change in the slope of full width at half maximum versus temperature curve. This strongly suggests that the orthorhombic-to-cubic phase transformation would be principally accompanied by the statistical disordering in orientation of the SO{sub 4} tetrahedra, without distinct dynamical reorientation. - Graphical abstract: (Left) Three-dimensional electron-density distributions of the SO{sub 4} tetrahedron with the split-atom model, and (right) a bird's eye view of electron densities on the plane parallel to (111). - Highlights: • Crystal structure of Ca{sub 4}[Al{sub 6}O{sub 12}]SO{sub 4} at 1073 K is determined by powder XRD. • The atom arrangements are represented by the split

  1. History And Importance Of Graphic Design

    OpenAIRE

    Lyallya, Kirill

    2016-01-01

    This thesis is about history and importance of graphic design in different periods, from ancient times until today. The features inherent in different countries are considered. The techniques, basic methods for creating projects and computer software that designers have used are mentioned. In order to understand the importance of graphic design in our lives, it is considered from the side of ordinary people, how it manifests itself in daily lives and how it affects business. The thesis provid...

  2. Synthesis and mechanical properties of bulk Al{sub 76}Ni{sub 8}Ti{sub 8}Zr{sub 4}Y{sub 4} alloy fabricated by consolidation of mechanically alloyed amorphous powders

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xinfu; Wang, Kun; Li, Zhendong; Wang, Xingfu; Wang, Dan; Han, Fusheng, E-mail: fshan@issp.ac.cn

    2015-05-25

    Graphical abstract: Different regions indentation morphologies under 50 g load consolidated at 723 K (left), nanohardness of the Al{sub 76}Ni{sub 8}Ti{sub 8}Zr{sub 4}Y{sub 4} alloy as a function consolidation temperature (right). It can be seen from the above figures that the consolidated sample presents white regions, and the microhardness in the white regions is a little lower than the matrix, which could be caused by the difference of the chemical composition and chemical bonding forces between them. Interestingly, the cracks were formed around the indentation periphery in the white regions, which are not shown in the matrix. The nanohardness of the bulk composites increased from 11.16 to 13.27 GPa with the consolidation temperature increasing, mechanical softening was also found in the present alloys. - Highlights: • Bulk amorphous–nanocrystalline Al-based alloys were prepared by HPS process. • The Vickers microhardness of bulk samples is in the range of 945–1177HV0.1. • The nanohardness agrees well with the Vickers hardness testing results. - Abstract: Mechanically alloyed amorphous Al{sub 76}Ni{sub 8}Ti{sub 8}Zr{sub 4}Y{sub 4} (at.%) alloy powder was consolidated by high-pressure sintering process. The influence of the consolidation temperature on the structure and mechanical properties of the consolidated bulk alloys was examined by X-ray diffraction (XRD), Optical microscopy (OM), Scanning electron microscopy (SEM), Vickers Hardness Tester and Nano Indenter. Structural investigations of the bulk materials revealed that most of the amorphous structure was retained after consolidation at 623 K, however, compaction at 723 K and 823 K caused crystallization of the amorphous phase with the appearance of white regions. The results also indicate that application of high pressure affected the crystallization products of the present alloy. Micro mechanical analysis showed that the microhardness of the bulk composites increased from 945HV{sub 0.1} to 1177HV{sub

  3. Facile preparation and improved photocatalytic H{sub 2}-production of Pt-decorated CdS/TiO{sub 2} nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Qi [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China); Xu, Jie [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China); Ian Wark Research Institute, University of South Australia, Mawson Lakes Campus, SA 5095 (Australia); Wang, Wenzhong, E-mail: wzwang@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China); Lu, Chunli [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China)

    2014-03-01

    Graphical abstract: - Highlights: • Pt-CdS/TiO{sub 2} nanorods were firstly realized by electrospinning. • They exhibited high photocatalytic H{sub 2} production activity. • The mechanism of the high performance was discussed. - Abstract: Pt-CdS/TiO{sub 2} nanorods with different molar ratios of Cd:Ti were prepared through an electrospinning method followed by sulfidation treatment and photodeposition. The nanorod-like samples were characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), photoluminescence spectra (PL), and UV–vis diffuse reflectance spectroscopy (DRS). The results indicated that the as-prepared samples exhibited wider light absorption range and lower recombination rate of photogenerated electron–hole pairs after the introduction of Pt and CdS. The photocatalysis experiments showed that Pt-modified CdS/TiO{sub 2} nanorods exhibited much higher activities than pure TiO{sub 2} in the evolution of hydrogen under simulated solar light irradiation.

  4. Cancer and the Comics: Graphic Narratives and Biolegitimate Lives.

    Science.gov (United States)

    McMullin, Juliet

    2016-06-01

    Cancer graphic narratives, I argue, are part of a medical imaginary that includes representations of difference and biomedical technology that engage Fassin's (2009) concept of biolegitimacy. Framed in three parts, the argument first draws on discourses about cancer graphic narratives from graphic medicine scholars and authors to demonstrate a construction of universal suffering. Second, I examine tropes of hope and difference as a biotechnical embrace. Finally, I consider biosociality within the context of this imaginary and the construction of a meaningful life. Autobiographical graphic narrative as a creative genre that seeks to give voice to individual illness experiences in the context of biomedicine raises anthropological questions about the interplay between the ordinary and biolegitmate. Cancer graphic narratives deconstruct the big events to demonstrate the ordinary ways that a life constructed as different becomes valued through access to medical technologies. © 2014 by the American Anthropological Association.

  5. Width difference in the B{sub s}{sup 0}-B-bar{sub s}{sup 0} system from lattice HQET

    Energy Technology Data Exchange (ETDEWEB)

    Gimenez, V.; Reyes, J

    2001-03-01

    We present recent results for the prediction of the B{sub s}{sup 0}-B-bar{sub s}{sup 0} lifetime difference from lattice Heavy Quark Effective Theory simulations. In order to get a next-to-leading order result we have calculated the matching between QCD and HQET and the two loop anomalous dimension in the HQET for all the {delta}B = 2 operators, in particular for the operators which enter in the width difference. We obtain for the B{sub s}{sup 0}-B-bar{sub s}{sup 0} lifetime difference, (({delta}{gamma}{sub B{sub }}s)/({gamma}{sub B{sub }}s)) = (5.1 {+-} 1.9 {+-} 1.7) x 10{sup -2}.

  6. Three series of quaternary rare-earth transition-metal pnictides with CaAl{sub 2}Si{sub 2}-type structures: RECuZnAs{sub 2}, REAgZnP{sub 2}, and REAgZnAs{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Stoyko, Stanislav S.; Ramachandran, Krishna K.; Blanchard, Peter E.R. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada); Rosmus, Kimberly A.; Aitken, Jennifer A. [Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 15282 (United States); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada)

    2014-05-01

    Three series of quaternary rare-earth transition-metal pnictides REMM′Pn{sub 2} (M=Cu, Ag; M′=Zn; Pn=P, As) have been prepared by reaction of the elements at 800 °C, with crystal growth promoted through the addition of iodine. The extent of RE substitution is broad in these series: RECuZnAs{sub 2} (RE=Y, La-Nd, Sm, Gd–Lu), REAgZnP{sub 2} (RE=La–Nd, Sm, Gd–Dy), and REAgZnAs{sub 2} (RE=La-Nd, Sm, Gd-Dy). Powder and single-crystal X-ray diffraction analysis revealed that they adopt the trigonal CaAl{sub 2}Si{sub 2}-type structure (space group P3{sup ¯}m1, Z=1), in which Cu or Ag atoms are disordered with Zn atoms over the unique tetrahedrally coordinated transition-metal site. Magnetic measurements indicated Curie–Weiss behavior for several members of the RECuZnAs{sub 2} and REAgZnP{sub 2} series. Core-line X-ray photoelectron spectra (XPS) collected on some RECuZnAs{sub 2} members corroborate the charge assignment deduced by the Zintl concept for these compounds, (RE{sup 3+})(M{sup 1+})(Zn{sup 2+})(Pn{sup 3−}){sub 2}. Optical diffuse reflectance spectra and valence band XPS spectra established that these compounds are small band-gap semiconductors (up to ∼0.8 eV in REAgZnP{sub 2}) or semimetals (RECuZnAs{sub 2}). Band structure calculations also support this electronic structure and indicate that the band gap can be narrowed through appropriate chemical substitution (RE=smaller atoms, M=Cu, and Pn=As). - Graphical abstract: Cu or Ag atoms are disordered with Zn atoms over the tetrahedral site within relatively rigid [M{sub 2}Pn{sub 2}] slabs in three series of quaternary pnictides adopting the CaAl{sub 2}Si{sub 2}-type structure. - Highlights: • Three series (comprising 25 compounds) of pnictides REMM'Pn{sub 2} were prepared. • Cu or Ag atoms are disordered with Zn atoms within relatively rigid [M{sub 2}Pn{sub 2}] slabs. • They are semimetals or small band-gap semiconductors. • RECuZnAs{sub 2} and REAgZnP{sub 2} are generally

  7. H{sub 2}O{sub 2}-assisted photocatalysis on flower-like rutile TiO{sub 2} nanostructures: Rapid dye degradation and inactivation of bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Kőrösi, László, E-mail: ltkorosi@gmail.com [Research Institute for Viticulture and Oenology, University of Pécs, H-7634 Pécs, Pázmány Péter u. 4 (Hungary); Prato, Mirko; Scarpellini, Alice [Department of Nanochemistry, Istituto Italianodi Tecnologia, via Morego 30, 16163, Genova (Italy); Kovács, János [Department of Geology & Meteorology, University of Pécs, Ifjúság u. 6, H-7624, Pécs (Hungary); Environmental Analytical and Geoanalytical Research Group, Szentágothai Research Centre, University of Pécs, Ifjúság u. 20, H-7624, Pécs (Hungary); Dömötör, Dóra; Kovács, Tamás; Papp, Szilvia [Department of Biotechnology, Nanophage Therapy Center, Enviroinvest Corporation, Kertváros u. 2, H-7632, Pécs (Hungary)

    2016-03-01

    Graphical abstract: - Highlights: • Hierarchically assembled rutile TiO{sub 2} was synthesized at room temperature. • Hydrothermal treatment enhanced the crystallinity, while morphology was maintained. • Hydrothermal treatment also led to larger crystallites and a lower surface area. • Effective K. pneumoniae killing and MO degradation were achieved with the use of H{sub 2}O{sub 2}. • Higher crystallinity enhanced the reaction rate in the presence of H{sub 2}O{sub 2}. - Abstract: Hierarchically assembled flower-like rutile TiO{sub 2} (FLH-R-TiO{sub 2}) nanostructures were successfully synthesized from TiCl{sub 4} at room temperature without the use of surfactants or templates. An initial sol–gel synthesis at room temperature allowed long-term hydrolysis and condensation of the precursors. The resulting FLH-R-TiO{sub 2} possessed relatively high crystallinity (85 wt%) and consisted of rod-shaped subunits assembling into cauliflower-like nanostructures. Hydrothermal evolution of FLH-R-TiO{sub 2} at different temperatures (150, 200 and 250 °C) was followed by means of X-ray diffraction, transmission and scanning electron microscopy. These FLH-R-TiO{sub 2} nanostructures were tested as photocatalysts under simulated daylight (full-spectrum lighting) in the degradation of methyl orange and in the inactivation of a multiresistant bacterium, Klebsiella pneumoniae. The effects of hydrothermal treatment on the structure, photocatalytic behavior and antibacterial activity of FLH-R-TiO{sub 2} are discussed.

  8. Ammonia-treated porous carbon derived from ZIF-8 for enhanced CO{sub 2} adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Xiancheng [School of Energy Science and Engineering, Central South University, Changsha 410083, Hunan (China); Li, Liqing, E-mail: liqingli@hotmail.com [School of Energy Science and Engineering, Central South University, Changsha 410083, Hunan (China); Wang, Shaobin [Department of Chemical Engineering, Curtin University, GPO Box U1987, Perth 6845, WA (Australia); Lu, Mingming [Department of Civil and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221 (United States); Li, Hailong; Ma, Weiwu [School of Energy Science and Engineering, Central South University, Changsha 410083, Hunan (China); Keener, Tim C. [Department of Civil and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221 (United States)

    2016-04-30

    Graphical abstract: The role of nitrogen species in increasing CO{sub 2} adsorption capacity has been explained with the mechanisms of base–acid interaction, as well as hydrogen bonds interaction. - Highlights: • A porous carbon (ZC) was prepared at 900 °C using ZIF-8 as a solid template for CO{sub 2} adsorption. • The ZC was further treated by ammonia functionalization to improve CO{sub 2} uptake. • The detailed interaction mechanism between N-containing groups and CO{sub 2} molecules is elucidated. - Abstract: A porous carbon (ZC) was prepared at 900 °C using zeolitic imidazolate framework-8 (ZIF-8) as a solid template for CO{sub 2} adsorption. The ZC was further treated by ammonia functionalization to improve CO{sub 2} uptake. The textural and surface characteristics of ZC samples were determined by X-ray diffraction (XRD), N{sub 2} adsorption, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). It was revealed that ammonia treatment at 600 °C considerably enhanced the specific surface area and N-content of ZC. However, the pyrrolic-N group was decreased, yet the pyridinic-N group was increased with an increased temperature. The pyrrolic-N significantly enhanced CO{sub 2} adsorption. The ammonia treatment, on the one hand, increases the alkalinity of ZC sample and the base–acid interaction between N-containing functional groups with CO{sub 2}. On the other hand, the ammonia treatment increased pyrrolic-N group (NH) into carbon surface facilitating the hydrogen-bonding interactions between proton of pyrrolic-N and CO{sub 2} molecules.

  9. Graphics in DAQSIM

    International Nuclear Information System (INIS)

    Wang, C.C.; Booth, A.W.; Chen, Y.M.; Botlo, M.

    1993-06-01

    At the Superconducting Super Collider Laboratory (SSCL) a tool called DAQSIM has been developed to study the behavior of Data Acquisition (DAQ) systems. This paper reports and discusses the graphics used in DAQSIM. DAQSIM graphics includes graphical user interface (GUI), animation, debugging, and control facilities. DAQSIM graphics not only provides a convenient DAQ simulation environment, it also serves as an efficient manager in simulation development and verification

  10. Motor activity changes induced by sub-encephalopathic lead exposure during different developmental phases in rats

    Energy Technology Data Exchange (ETDEWEB)

    Van Rooyen, J M; Offermeier, J; Brand, L; Botha, F; Rossouw, J; Lategan, A J; Botes, M S

    1988-05-01

    Two groups of rats were exposed to lead (0,2% lead acetate in drinking water) for periods of 21 days during different developmental phases. Lead exposure was initiated on day 1 and day 22 after birth, for rats in groups 1 and 2, respectively. Measurements of locomotor activity (LA) and (/sup 3/H)spiperone binding assays were performed on day 50 after birth. Lead exposure resulted in the potentiation of the LA effects of 5 mg/kg apomorphine without altering the LA effects of 50 mg/kg piribedil in group 1. Lead exposure resulted in an attenuation of the LA effects of apomorphine and piribedil in group 2. Lead exposure did not alter the K/sub D/ and B/sub max/ values of (/sup 3/H)spiperone in membranes prepared from the rat striatum or nucleus accumbens.

  11. Fast and Reliable Mouse Picking Using Graphics Hardware

    Directory of Open Access Journals (Sweden)

    Hanli Zhao

    2009-01-01

    Full Text Available Mouse picking is the most commonly used intuitive operation to interact with 3D scenes in a variety of 3D graphics applications. High performance for such operation is necessary in order to provide users with fast responses. This paper proposes a fast and reliable mouse picking algorithm using graphics hardware for 3D triangular scenes. Our approach uses a multi-layer rendering algorithm to perform the picking operation in linear time complexity. The objectspace based ray-triangle intersection test is implemented in a highly parallelized geometry shader. After applying the hardware-supported occlusion queries, only a small number of objects (or sub-objects are rendered in subsequent layers, which accelerates the picking efficiency. Experimental results demonstrate the high performance of our novel approach. Due to its simplicity, our algorithm can be easily integrated into existing real-time rendering systems.

  12. Synthesis and photocatalytic performance of g-C{sub 3}N{sub 4} nanosheets via liquid phase stripping

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Jilin [Industry & Equipment Technology Institute of Hefei University of Technology, Hefei 230009 (China); Xu, Guangqing [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); Key Laboratory of Advanced Functional Materials and Devices of Anhui Province, Hefei University of Technology, Hefei 230009 (China); Liu, Jiaqin [Industry & Equipment Technology Institute of Hefei University of Technology, Hefei 230009 (China); Key Laboratory of Advanced Functional Materials and Devices of Anhui Province, Hefei University of Technology, Hefei 230009 (China); Lv, Jun [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); Key Laboratory of Advanced Functional Materials and Devices of Anhui Province, Hefei University of Technology, Hefei 230009 (China); Wu, Yucheng [Industry & Equipment Technology Institute of Hefei University of Technology, Hefei 230009 (China); School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); Key Laboratory of Advanced Functional Materials and Devices of Anhui Province, Hefei University of Technology, Hefei 230009 (China)

    2017-02-15

    Well dispersed g-C{sub 3}N{sub 4} nanosheets were prepared by exfoliating the bulk g-C{sub 3}N{sub 4} in concentrated sulfuric acid. Phase structures, morphologies and elemental compositions were characterized by X-ray diffractometer, scanning electron microscope, transmission electron microscope and X-ray photoelectron spectrometer, respectively. Optical absorption and photoluminescence were also used to explain the optical performances of samples. NaI, BQ and IPA were used as the sacrificial agents for studying the surface reactions in the photocatalytic process. By the precipitation of g-C{sub 3}N{sub 4} nanosheets in ethanol with different ratios between concentrated sulfuric acid and ethyl alcohol, well dispersed g-C{sub 3}N{sub 4} nanosheets with high specific surface area can be obtained. The optimized g-C{sub 3}N{sub 4} (1:10) nanosheets achieve the highest photocatalytic activities under UV light illumination, which can degrade 10 mg/L RhB about 98% in 60 min, which is 6 times that of bulk g-C{sub 3}N{sub 4} under UV light. - Graphical Abstract: The schematic diagram of photocatalysis and excellent photocatalytic performance of g-C{sub 3}N{sub 4} nanosheets. - Highlights: • Well dispersed g-C{sub 3}N{sub 4} were prepared via Liquid Phase Stripping. • The g-C{sub 3}N{sub 4} is in a sheet like structure after being exfoliated. • The g-C{sub 3}N{sub 4} nanosheets possess high photocatalytic performances.

  13. Gas response properties of citrate gel synthesized nanocrystalline MgFe{sub 2}O{sub 4}: Effect of sintering temperature

    Energy Technology Data Exchange (ETDEWEB)

    Patil, J.Y. [School of Physical Sciences, Solapur University Solapur-413255 (India); Mulla, I.S. [Emeritus Scientist (CSIR), Centre for Materials for Electronic Technology(C-MET) Pune-411 008 (India); Suryavanshi, S.S., E-mail: sssuryavanshi@rediffmail.com [School of Physical Sciences, Solapur University Solapur-413255 (India)

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ► Synthesis of nanocrystalline MgFe{sub 2}O{sub 4} by economical citrate gel combustion method. ► Structural, morphological, and gas response properties of MgFe{sub 2}O{sub 4}. ► Enhancement in selectivity of MgFe{sub 2}O{sub 4} towards LPG with sintering temperature. ► Use of MgFe{sub 2}O{sub 4} to detect different gases at different operating temperatures. -- Abstract: Spinel type MgFe{sub 2}O{sub 4} material was synthesized by citrate gel combustion method. The effect of sintering temperature on structural, morphological, and gas response properties was studied. The powder X-ray diffraction pattern and transmission electron microscope study confirms nanocrystalline spinel structure of the synthesized powder. The material was tested for response properties to various reducing gases like liquid petroleum gas (LPG), acetone, ethanol, and ammonia. The results demonstrated n-type semiconducting behavior of MgFe{sub 2}O{sub 4} material. It was revealed that MgFe{sub 2}O{sub 4} sintered at 973 K was most sensitive to LPG at 648 K and to acetone at 498 K. However MgFe{sub 2}O{sub 4} sintered at 1173 K exhibited higher response and selectivity to LPG with marginal increase in the operating temperature. Furthermore, the sensor exhibited a fast response and a good recovery. It was observed that the particles size, porosity, and surface activity of the sensor material is affected by the sintering temperature.

  14. Microstructure evolution of the Si{sub 3}N{sub 4}/Si{sub 3}N{sub 4} joints brazed using Au-Ni-V filler alloys with different V content

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zhang, J., E-mail: hitzhangjie@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zhang, H.W.; Fan, G.H.; He, Y.M. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2011-08-18

    Highlights: > Si{sub 3}N{sub 4} ceramic was brazed using Au-Ni-V filler alloy with different V content. > The microstructure evolution of the joint was study in detail in the paper. > The polygonal Ni{sub 2}SiV{sub 3} and Ni{sub 3}V phase in the joint were investigated by TEM. > The formation of different compounds and alloys in joint was detailed discussed. - Abstract: Au-Ni-V filler alloys with different vanadium contents were designed to braze Si{sub 3}N{sub 4} ceramic at 1373 K for 30 min, and the microstructures of brazing seams were investigated by SEM and TEM. When the Au-Ni-V filler alloy contains 5 at.% V, round-like Ni[Si, V, Au] precipitates form in the Au[Ni] solid solution matrix and a VN reaction layer with 0.5 {mu}m thickness appears on Si{sub 3}N{sub 4} interface. When the V content increases to 10 at.%, a new polygonal Ni{sub 2}SiV{sub 3} phase occurs in the seam, and the Ni[Si, V, Au] precipitate coarsens and VN layer thickens. With increase of V contents to 15 and 20 at.%, laminar Ni[Au] and polygonal Ni{sub 3}V precipitates form. With 25 at.% V content in the filler alloy, the Ni{sub 2}SiV{sub 3} and Ni{sub 3}V precipitates distribute homogenously in the brazing seam. These microstructure evolutions were attributed to the reaction between Si{sub 3}N{sub 4} and vanadium, which forms VN reaction layer and releases Si into the molten alloy.

  15. Synthesis, structure and magnetic properties of La{sub 3}Co{sub 2}SbO{sub 9}: A double perovskite with competing antiferromagnetic and ferromagnetic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Franco, D.G.; Fuertes, V.C.; Blanco, M.C. [INFIQC (CONICET), Departamento de Fisicoquimica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Ciudad Universitaria, X5000HUA Cordoba (Argentina); Fernandez-Diaz, M.T. [Institute Laue-Langevin (ILL) 156X, F-38042 Grenoble Cedex 9 (France); Sanchez, R.D., E-mail: rodo@cab.cnea.gov.ar [Centro Atomico Bariloche, CNEA and Instituto Balseiro, Universidad Nacional de Cuyo, Av. Bustillo 9500, 8400 Rio Negro (Argentina); Carbonio, R.E., E-mail: carbonio@fcq.unc.edu.ar [INFIQC (CONICET), Departamento de Fisicoquimica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Ciudad Universitaria, X5000HUA Cordoba (Argentina)

    2012-10-15

    The synthesis, structural characterization, and magnetic properties of La{sub 3}Co{sub 2}SbO{sub 9} double perovskite are reported. The crystal structure has been refined by X-ray and neutron powder diffraction data in the monoclinic space group P2{sub 1}/n. Co{sup 2+} and Sb{sup 5+} have the maximum order allowed for the La{sub 3}Co{sub 2}SbO{sub 9} stoichiometry. Rietveld refinements of powder neutron diffraction data show that at room temperature the cell parameters are a=5.6274(2) A, b=5.6842(2) A, c=7.9748(2) A and {beta}=89.999(3) Degree-Sign . Magnetization measurements indicate the presence of ferromagnetic correlations with T{sub C}=55 K attributed to the exchange interactions for non-linear Co{sup 2+}-O-Sb{sup 5+}-O-Co{sup 2+} paths. The effective magnetic moment obtained experimentally is {mu}{sub exp}=4.38 {mu}{sub B} (per mol Co{sup 2+}), between the theoretical one for spin only (3.87 {mu}{sub B}) and spin-orbit value (6.63 {mu}{sub B}), indicating partially unquenched contribution. The low magnetization value at high magnetic field and low temperature (1 {mu}{sub B}/f.u., 5 T and 5 K) and the difference between ZFC and FC magnetization curves (at 5 kOe) indicate that the ferromagnetism do not reach a long range order and that the material has an important magnetic frustration. - Graphical abstract: Co-O-Co (Yellow octahedra only) rich zones (antiferromagnetic) are in contact with Co-O-Sb-O-Co (Red and yellow octahedra) rich zones (Ferromagnetic) to give the peculiar magnetic properties, as a consequence, a complex hysteresis loop can be observed composed by a main and irreversible curve in all the measured range, superimposed with a ferromagnetic component at low fields. Highlights: Black-Right-Pointing-Pointer La{sub 3}Co{sub 2}SbO{sub 9} has small Goldschmidt Tolerance Factor (t) due to the small size of La{sup 3+}. Black-Right-Pointing-Pointer Small t determines an angle for the path Co{sup 2+}-O-Sb{sup 5+}-O-Co{sup 2+} of 153 Degree-Sign . Black

  16. Graphic Notation in Music Therapy: A Discussion of What to Notate in Graphic Notation and How

    DEFF Research Database (Denmark)

    Bergstrøm-Nielsen, Carl

    2009-01-01

    This article presents graphic notations of music and related forms of communication in music therapy contexts, created by different authors and practitioners. Their purposes, objects of description, and the elements of graphic language are reflected upon in a comparative discussion. From...... that it becomes clear that the aspect of overview is a fundamental one, facilitating perception of complex data. This also makes possible to memorise complex data, extending the natural limits of human memory. Discovering hidden aspects in the clinical data, as well as sharing and communicating these aspects...... are also important concerns. Among the authors discussed, there is a large variety both in goals and methods. Keywords are proposed to circumscribe moments of possible interest connected to graphic notations. I suggest that the discipline of graphic notation can be useful for the grounding of music therapy...

  17. Controllable synthesis of Co{sub 3}O{sub 4}/polyethyleneimine-carbon nanotubes nanocomposites for CO and NH{sub 3} gas sensing at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Yufei [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 (China); Kan, Kan [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 (China); Institute of Advanced Technology, Heilongjiang Academy of Sciences, Harbin 150000 (China); Song, Wanzhen; Zhang, Guo; Dang, Lifang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 (China); Xie, Yu [Department of Materials Chemistry, Nanchang Hangkong University, Nanchang 330063 (China); Shen, Peikang [Department of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 (China); Li, Li, E-mail: llwjjhlju@sina.cn [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 (China); Key Laboratory of Chemical Engineering Process & Technology for High-efficiency Conversion, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 (China); Shi, Keying, E-mail: shikeying2008@163.com [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 (China)

    2015-08-05

    Graphical abstract: Co{sub 3}O{sub 4}/polyethyleneimine-carbon nanotubes composites (CoPCNTs) have been successfully controllable synthesized via hydrothermal method at different temperature. The CoPCNTs sensors exhibited the highest response to CO and NH{sub 3} gases with response time of 4 s and 4.3 s, low detection limit of 5 ppm and 1 ppm at room temperature, respectively. The enhanced gas sensing could be ascribed to the synergistic effect between the tiny size of Co{sub 3}O{sub 4} and good conductivity of carbon nanotubes functionalized by polyethyleneimine. - Highlights: • The CNTs functionalized by polyethyleneimine provided a new functional structural. • The novel 1D structure could capture and migrate electrons quickly. • The Co{sub 3}O{sub 4} nanoparticles liked a snake winding around CNTs. • The gas sensor could work at room temperatures, which suit to practical application. - Abstract: A novel 1D Co{sub 3}O{sub 4}/polyethyleneimine-carbon nanotubes composites (CoPCNTs) have been successfully synthesized via hydrothermal method at different temperature. The CNTs functionalized by polyethyleneimine (PCNTs) provided a new material with new structural and functional properties. The PCNTs was used as loading guider and electron transfer path. The Co{sub 3}O{sub 4} nanoparticles (NPs) loaded on the PCNTs surface liked a snake winding around CNTs, and the size was about 5–10 nm. The gas sensing characteristics of the CoPCNTs sensors to carbon monoxide (CO) and ammonia (NH{sub 3}) were evaluated with different gas concentration. The CoPCNTs sensors grown at 160 °C exhibited the highest response to CO and NH{sub 3} gases with response time of 4 s and 4.3 s at room temperature (RT), respectively. Hence, the approach developed in this work would be important for the low-cost and large-scale production of the CoPCNTs materials with highly promising applications in gas sensors.

  18. Spectral evolution of Eu{sup 3+} doped Y{sub 3}NbO{sub 7} niobate induced by temperature

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K-Y.; Durand, A. [CNRS, ICMCB, UPR 9048, F-33600 Pessac (France); Univ. Bordeaux, ICMCB, UPR 9048, F-33600 Pessac (France); Heintz, J-M.; Veillere, A. [CNRS, ICMCB, UPR 9048, F-33600 Pessac (France); Univ. Bordeaux, ICMCB, UPR 9048, F-33600 Pessac (France); Bordeaux INP, ICMCB, UPR 9048, F-33600 Pessac (France); Jubera, V., E-mail: veronique.jubera@u-bordeaux.fr [CNRS, ICMCB, UPR 9048, F-33600 Pessac (France); Univ. Bordeaux, ICMCB, UPR 9048, F-33600 Pessac (France)

    2016-03-15

    A Eu{sup 3+} doped Y{sub 3}NbO{sub 7} niobate powder was synthetized using a polymerizable complex route. It gave rise to nanometric particles that crystallized in the fluorine structure, corresponding to the Y{sub 3}NbO{sub 7} phase. The thermal evolution of this powder was followed up to 1600 °C, using X-ray diffraction and optical characterizations. The fluorine structure was maintained in the whole temperature range. However, spectral evolution of the samples calcined above 900 °C showed a more complex situation. Emission spectra of powders heat treated at different temperatures showed an evolution of the emission lines that can be attributed first to a better crystallization of the niobate phase and second to its partial decomposition in favor of the formation of YNbO{sub 4} and Y{sub 2}O{sub 3}. Although the Y{sub 3}NbO{sub 7} phase appeared stable up to 1650 °C, from X-ray diffraction analysis, spectral analysis showed that the local environment of the doping element is modified from 1100 °C. - Graphical abstract: Spectral evolution of Eu{sup 3+} doped Y{sub 3}NbO{sub 7} niobate induced by temperature.

  19. A novel reduction synthesis of the graphene/Mn{sub 3}O{sub 4} nanocomposite for supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Na; Qi, Peng; Ding, Yan-Hua; Huang, Cheng-Jie; Zhang, Jian-Yong; Fang, Yong-Zheng

    2016-05-15

    Graphene/Mn{sub 3}O{sub 4} nanocomposite is successfully synthesized from graphene oxide (GO)/MnO{sub 2} precursor using dilute hydrazine hydrate assisted hydrothermal reaction (DAH method). X-ray photoelectron spectroscopy (XPS) and Raman characterizations confirm the decrease of oxygen-containing functional groups of GO. The results indicate that GO have been reduced to graphene to a large degree to increase the electronic conductive channels. The morphology and the phase transformation of MnO{sub 2} can be ascribed to the “dissolution-recrystallization” mechanism. Such nanocomposite, as electrode material for supercapacitor, exhibits a high specific capacitance of 326.9 F g{sup −1}, almost 4 times that of GO/MnO{sub 2} precursor (81.3 F g{sup −1}). The good cycle stability of 94.6% capacitance retention after 1000 cycles, can be explained by the firm interfacial cohesion between graphene and Mn{sub 3}O{sub 4} nanoparticle. This soft chemical DAH process could be readily extended to the preparation of other classes of hybrids. - Graphical abstract: The phase transition can be explained by the “dissolution-recrystallization” model. The GO/MnO{sub 2} precursor is reduced into graphene/Mn{sub 3}O{sub 4} by the DAH process, and the electrochemical property is dramatically enhanced. - Highlights: • Graphene/Mn{sub 3}O{sub 4} nanocomposite is firstly synthesized successfully from GO/MnO{sub 2} precursor. • The phase transformation from MnO{sub 2} to Mn{sub 3}O{sub 4} has occurred. • The specific capacitance of the graphene/Mn{sub 3}O{sub 4} (326.9 F/g) is 4 times that of GO/MnO{sub 2} precursor.

  20. Controllable synthesis of Zn{sub 2}TiO{sub 4}-carbon core/shell nanofibers with high photocatalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Peng [Center for Advanced Optoelectronic Functional Materials Research, and Key Laboratory of UV Light-Emitting Materials and Technology of Ministry of Education, Northeast Normal University, 5268 Renmin Street, Changchun 130024 (China); Shao, Changlu, E-mail: clshao@nenu.edu.cn [Center for Advanced Optoelectronic Functional Materials Research, and Key Laboratory of UV Light-Emitting Materials and Technology of Ministry of Education, Northeast Normal University, 5268 Renmin Street, Changchun 130024 (China); Zhang, Mingyi; Guo, Zengcai; Mu, Jingbo; Zhang, Zhenyi; Zhang, Xin; Liang, Pingping; Liu, Yichun [Center for Advanced Optoelectronic Functional Materials Research, and Key Laboratory of UV Light-Emitting Materials and Technology of Ministry of Education, Northeast Normal University, 5268 Renmin Street, Changchun 130024 (China)

    2012-08-30

    Graphical abstract: We describe a controllable route to synthesize Zn{sub 2}TiO{sub 4}-carbon core/shell nanofibers with different thickness of carbon layers (from 2 to 8 nm) as high efficiency photocatalysts. Highlights: Black-Right-Pointing-Pointer Synthesis of Zn{sub 2}TiO{sub 4}-carbon nanofibers with different thickness of carbon layers. Black-Right-Pointing-Pointer Zn{sub 2}TiO{sub 4}-carbon NFs showed photocatalytic activity for the degradation of Rhodamine B. Black-Right-Pointing-Pointer Easy photocatalyst separation and reuse. Black-Right-Pointing-Pointer A general way to fabricate other carbon-coated core/shell photocatalysts. - Abstract: Zn{sub 2}TiO{sub 4}-carbon core/shell nanofibers (Zn{sub 2}TiO{sub 4}-C NFs) with different thickness of carbon layers (from 2 to 8 nm) were fabricated by combining the electrospinning technique and hydrothermal method. The results showed that a uniform carbon layer was formed around the electrospun Zn{sub 2}TiO{sub 4} nanofiber (Zn{sub 2}TiO{sub 4} NFs). By adjusting the hydrothermal fabrication parameters, the thickness of carbon layer varied linearly with the concentration of glucose. Furthermore, the core/shell structure formed between Zn{sub 2}TiO{sub 4} and carbon enhanced the charge separation of pure Zn{sub 2}TiO{sub 4} under ultraviolet excitation, as evidenced by photoluminescence spectra. The photocatalytic studies revealed that the Zn{sub 2}TiO{sub 4}-C NFs exhibited enhanced photocatalytic efficiency of photodegradation of Rhodamine B (RB) compared with the pure Zn{sub 2}TiO{sub 4} NFs under ultraviolet excitation, which might be attributed to the high separation efficiency of photogenerated electrons and holes based on the synergistic effect between carbon and Zn{sub 2}TiO{sub 4}. Notably, the Zn{sub 2}TiO{sub 4}-C NFs could be recycled easily by sedimentation without a decrease of the photocatalytic activity.

  1. Coherent intergrowth of simple cubic and quintuple tetragonal perovskites in the system Nd{sub 2−ε}Ba{sub 3+ε}(Fe{sub ,}Co){sub 5}O{sub 15−δ}

    Energy Technology Data Exchange (ETDEWEB)

    Kundu, Asish K. [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Yu Mychinko, Mikhail [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Department of Chemistry, Institute of Natural Sciences, Ural Federal University, Lenin av. 51, Yekaterinburg 620000 (Russian Federation); Caignaert, Vincent; Lebedev, Oleg I. [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Volkova, Nadezhda E.; Deryabina, Ksenia M.; Cherepanov, Vladimir A. [Department of Chemistry, Institute of Natural Sciences, Ural Federal University, Lenin av. 51, Yekaterinburg 620000 (Russian Federation); Raveau, Bernard, E-mail: bernard.raveau@ensicaen.fr [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France)

    2015-11-15

    Investigation of the Nd{sub 2−ε}Ba{sub 3+ε}(Fe,Co){sub 5}O{sub 15−δ} system, combining X-ray diffraction and electron microscopy, has allowed a tetragonal quintuple ordered perovskite “a{sub p}×a{sub p}×5a{sub p}” phasoid inter-grown within a single cubic perovskite matrix to be evidenced for ε=0. This nanoscale chemically twinned perovskite is compared with other members, Ln=Sm, Eu, Pr. The unusual long range ordering of the layers develops strains due to size mismatch between Ba{sup 2+} and Ln{sup 3+} cations. Importantly, two factors allow the strains to be decreased: (i) special intergrowths of double (LnBaFe{sub 2}O{sub 6−δ}) and triple (LnBa{sub 2}Fe{sub 3}O{sub 9−δ}) perovskite ribbons/layers oriented at 90°, (ii) nanoscale chemical twinning. The spin locking effect of the nano-domain boundaries upon the magnetic properties of these perovskites is discussed. - Graphical abstract: Nd{sub 2}Ba{sub 3}Fe{sub 5}O{sub 14.54} is a tetragonal quintuple perovskite phasoid embedded in a simple cubic perovskite matrix, which shows collinear antiferromagnetic behavior.

  2. Magnetic properties and structural transitions of fluorite-related rare earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb)

    Energy Technology Data Exchange (ETDEWEB)

    Hinatsu, Yukio, E-mail: hinatsu@sci.hokudai.ac.jp [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan); Doi, Yoshihiro [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan)

    2013-02-15

    Ternary rare-earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb) have been prepared. They crystallize in an ortho-rhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr{sub 3}OsO{sub 7} exhibits magnetic transitions at 8 and 73 K, and Tb{sub 3}OsO{sub 7} magnetically orders at 8 and 60 K. The Os moments become one-dimensionally ordered, and when the temperature is furthermore decreased, it provokes the ordering in the Ln{sup 3+} sublattice that simultaneously becomes three-dimensionally ordered with the Os sublattice. - Graphical abstract: Ternary rare-earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb) have been prepared. They crystallize in an orthorhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr{sub 3}OsO{sub 7} exhibits magnetic transitions at 8 and 73 K, and Tb{sub 3}OsO{sub 7} magnetically orders at 8 and 60 K. Highlights: Black-Right-Pointing-Pointer Ternary rare-earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb) with an ordered defect-fluorite structure have been prepared. Black-Right-Pointing-Pointer Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). Black-Right-Pointing-Pointer These compounds show complex magnetic behavior at low temperatures due to magnetic ordering of Ln and Os.

  3. Synthetic routes to a nanoscale inorganic cluster [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15} evaluated by solid-state {sup 71}Ga NMR

    Energy Technology Data Exchange (ETDEWEB)

    Hammann, Blake A. [Department of Chemistry, Washington University in St. Louis, St. Louis, MO 63130 (United States); Marsh, David A. [Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR 97403 (United States); Ma, Zayd L. [Department of Chemistry, Washington University in St. Louis, St. Louis, MO 63130 (United States); Wood, Suzannah R. [Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR 97403 (United States); Eric West, Michael [Department of Chemistry, Washington University in St. Louis, St. Louis, MO 63130 (United States); Johnson, Darren W. [Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR 97403 (United States); Hayes, Sophia E., E-mail: hayes@wustl.edu [Department of Chemistry, Washington University in St. Louis, St. Louis, MO 63130 (United States)

    2016-10-15

    Solid-state {sup 71}Ga NMR was used to characterize a series of [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15} “Ga{sub 13}” molecular clusters synthesized by multiple methods. These molecular clusters are precursors to thin film electronics and may be employed in energy applications. The synthetic routes provide varying levels of impurities in the solid phase, and these impurities often elude traditional characterization techniques such as powder X-ray diffraction and Raman spectroscopy. Solid-state NMR can provide a window into the gallium species even in amorphous phases. This information is vital in order to prevent the impurities from causing defect sites in the corresponding thin films upon gelation and condensation (polymerization) of the Ga{sub 13} clusters. This work demonstrates the resolving power of solid-state NMR to evaluate structure and synthetic quality in the solid state, and the application of high-field NMR to study quadrupolar species, such as {sup 71}Ga. - Graphical abstract: The various synthetic routes and {sup 71}Ga solid-state NMR spectra of the nanoscale inorganic cluster [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15}. - Highlights: • Solid-state {sup 71}Ga NMR of hydroxo-aquo metal clusters and the impurities present. • High-field NMR capability allows for quadrupolar species, such as {sup 71}Ga, to be routinely studied. • Efficient and environmentally friendly synthetic routes have been developed to prepare hydroxo-aquo metal clusters.

  4. Hand-held cell phone use while driving legislation and observed driver behavior among population sub-groups in the United States

    Directory of Open Access Journals (Sweden)

    Toni M. Rudisill

    2017-05-01

    Full Text Available Abstract Background Cell phone use behaviors are known to vary across demographic sub-groups and geographic locations. This study examined whether universal hand-held calling while driving bans were associated with lower road-side observed hand-held cell phone conversations across drivers of different ages (16–24, 25–59, ≥60 years, sexes, races (White, African American, or other, ruralities (suburban, rural, or urban, and regions (Northeast, Midwest, South, and West. Methods Data from the 2008–2013 National Occupant Protection Use Survey were merged with states’ cell phone use while driving legislation. The exposure was presence of a universal hand-held cell phone ban at time of observation. Logistic regression was used to assess the odds of drivers having a hand-held cell phone conversation. Sub-groups differences were assessed using models with interaction terms. Results When universal hand-held cell phone bans were effective, hand-held cell phone conversations were lower across all driver demographic sub-groups and regions. Sub-group differences existed among the sexes (p-value, <0.0001 and regions (p-value, 0.0003. Compared to states without universal hand-held cell phone bans, the adjusted odds ratio (aOR of a driver hand-held phone conversation was 0.34 [95% confidence interval (CI: 0.28, 0.41] for females versus 0.47 (CI 0.40, 0.55 for males and 0.31 (CI 0.25, 0.38 for drivers in Western states compared to 0.47 (CI 0.30, 0.72 in the Northeast and 0.50 (CI 0.38, 0.66 in the South. Conclusions The presence of universal hand-held cell phone bans were associated lower hand-held cell phone conversations across all driver sub-groups and regions. Hand-held phone conversations were particularly lower among female drivers and those from Western states when these bans were in effect. Public health interventions concerning hand-held cell phone use while driving could reasonably target all drivers.

  5. Are there distinct cognitive and motivational sub-groups of children with ADHD?

    DEFF Research Database (Denmark)

    Lambek, Rikke; Sonuga-Barke, Edmund; Tannock, Rosemary

    2017-01-01

    of scores on EF and DA tests were contrasted using confirmatory factor analysis (CFA). LPA was carried out based on factor scores from the CFA and sub-groups were compared in terms of odor identification and behavior. A model with one DA and two EF factors best fit the data. LPA resulted in four sub...

  6. Synthesis and structural characterization of the hexagonal anti-perovskite Na{sub 2}CaVO{sub 4}F

    Energy Technology Data Exchange (ETDEWEB)

    Green, Robert L., E-mail: rgreen@flpoly.org [Chemistry, Florida Polytechnic University, Lakeland, FL 33805 (United States); Avdeev, Maxim [Australian Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Vogt, Thomas [NanoCenter and Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208 (United States)

    2017-06-15

    The structural details of the ordered hexagonal oxyfluoride Na{sub 2}CaVO{sub 4}F prepared by solid-state synthesis using stoichiometric amounts of V{sub 2}O{sub 5}, CaCO{sub 3}, Na{sub 2}CO{sub 3} and NaF were characterized using high-resolution neutron powder diffraction. The structural changes between 25 °C and 750 °C revealed that the two structural subunits in this material behave different when heated: there is an expansion of the face-shared FNa{sub 4}Ca{sub 2} octahedra while the VO{sub 4} tetrahedra due to increased thermal disorder reveal marginal bond contractions. Bond valences and the global instability index point to significant structural disorder at 750 °C. - Graphical abstract: The structure of the novel oxyfluoride Na{sub 2}CaVO{sub 4}F is studied at room temperature and high-temperatures. The structure can be viewed as layers of compression and elongation of polyhedral subunits, which change as a function of temperature. - Highlights: • The novel oxyfluoride, Na{sub 2}CaVO{sub 4}F, is synthesized via solid-state method. • High-resolution neutron diffraction data is used to analyze the structure of Na{sub 2}CaVO{sub 4}F. • Structural subunits exhibit expansion and contraction with increasing temperature. • Higher temperatures increase instability within the structure of Na{sub 2}CaVO{sub 4}F.

  7. Structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Mandru, Andrada-Oana; Wang, Kangkang [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California, Codigo Postal 22800 (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

    2015-11-15

    Graphical abstract: - Abstract: Spin-polarized first-principles total energy calculations have been performed to study the structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces. It is found that three surface terminations are energetically stable, in agreement with previous scanning tunneling microscopy experiments that have found three different electronic contrasts in their images. It is also found that in all three cases, the topmost layer has a MnN stoichiometry. Density of states calculations show a metallic behavior for all the stable structures with the most important contribution close to the Fermi level coming from the Mn-d orbitals. Our Tersoff–Hamann scanning tunneling microscopy simulations are in good agreement with previous experimental results.

  8. Novel manganate Cs{sub 23}Mn{sub 16}O{sub 28} containing two different types of quasi one-dimensional polyanions, {sup 1}{sub ∞}[MnO{sub 2}]{sub n} and unique {sup 1}{sub ∞}[Mn{sub 3}O{sub 5}]{sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Nuss, Juergen; Jansen, Martin [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Senaris-Rodriguez, Maria A. [Dept. Quimica, Facultad de Ciencias, Universidad de A Coruna (Spain); Klemenz, Sebastian [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany)

    2017-11-17

    Cs{sub 23}Mn{sub 16}O{sub 23} was synthesized via the azide/nitrate route from mixtures of Mn{sub 2}O{sub 3}, CsNO{sub 3}, and CsN{sub 3}. This manganese(II/III) mixed-valent oxide, which contains only one Mn{sup 3+} besides 15 Mn{sup 2+} cations, was studied by single-crystal X-ray diffraction and magnetic susceptibility measurements. Its crystal structure [P anti 1, Z = 1, a = 1114.26(2), b = 1185.53(2), c = 1205.39(2) pm, α = 70.596(1), β = 80.377(2), γ = 83.072(2) , R{sub 1} = 0.033] is based on a honeycomb-like arrangement of cesium atoms, providing the space for two different types of one-dimensional polyoxomanganate anions, illustrated by the syntax Cs{sub 23}[MnO{sub 2}]{sub 4}[Mn{sub 3}O{sub 5}]{sub 4}. Magnetic susceptibility measurements indicate dominant antiferromagnetic intra-chain interactions present already at ambient temperature and long range inter-chain magnetic ordering at 11 K. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Phase equilibria in the NaF-CdO-NaPO{sub 3} system at 873 K and crystal structure and physico-chemical characterizations of the new Na{sub 2}CdPO{sub 4}F fluorophosphate

    Energy Technology Data Exchange (ETDEWEB)

    Aboussatar, Mohamed [Université Clermont Auvergne, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, UMR 6296 CNRS, BP 10448, F-63000 Clermont-Ferrand (France); Laboratoire de Physico-Chimie de l’État Solide, Faculté des Sciences de Sfax, Université de Sfax, BP 1171, 3000 Sfax (Tunisia); Mbarek, Aïcha [Laboratoire de Chimie Industrielle, Ecole Nationale d’Ingénieurs de Sfax, Université de Sfax, BP W3038, 3000 Sfax (Tunisia); Naili, Houcine [Laboratoire de Physico-Chimie de l’État Solide, Faculté des Sciences de Sfax, Université de Sfax, BP 1171, 3000 Sfax (Tunisia); El-Ghozzi, Malika [Université Clermont Auvergne, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, UMR 6296 CNRS, BP 10448, F-63000 Clermont-Ferrand (France); Chadeyron, Geneviève [Université Clermont Auvergne, Institut de Chimie de Clermont-Ferrand, UMR 6296 CNRS/UBP/SIGMA, BP 10448, F-63000 Clermont-Ferrand (France); Avignant, Daniel [Université Clermont Auvergne, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, UMR 6296 CNRS, BP 10448, F-63000 Clermont-Ferrand (France); Zambon, Daniel, E-mail: Daniel.Zambon@univ-bpclermont.fr [Université Clermont Auvergne, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, UMR 6296 CNRS, BP 10448, F-63000 Clermont-Ferrand (France)

    2017-04-15

    Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO{sub 3} system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO{sub 4} side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na{sub 2}CdPO{sub 4}F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1), c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na{sub 2}CaPO{sub 4}F and the fluorosilicate Ca{sub 2}NaSiO{sub 4}F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na{sub 2}M{sup II}PO{sub 4}F (M{sup II}=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and {sup 19}F, {sup 23}Na, {sup 31}P MAS NMR characterizations of Na{sub 2}CdPO{sub 4}F have been investigated. - Graphical abstract: The structure of the compound Na{sub 2}CdPO{sub 4}F, discovered during the study of the phase relationships in the NaF-CdO-NaPO{sub 3} system, has been determined and compared with other Na{sub 2}M{sup II}PO{sub 4}F fluorophosphates. - Highlights: • XRD analysis of the isothermal section of the NaF-CdO-NaPO{sub 3} system at 923 K. • Rietveld refinement of the high temperature polymorph β-NaCdPO{sub 4}. • Crystal structure of the new Na{sub 2}CdPO{sub 4}F fluorophosphate determined from powder XRD. • Crystal structure - composition relationships of Na{sub 2}M{sup II}PO{sub 4}F compounds

  10. Struggling readers learning with graphic-rich digital science text: Effects of a Highlight & Animate Feature and Manipulable Graphics

    Science.gov (United States)

    Defrance, Nancy L.

    Technology offers promise of 'leveling the playing field' for struggling readers. That is, instructional support features within digital texts may enable all readers to learn. This quasi-experimental study examined the effects on learning of two support features, which offered unique opportunities to interact with text. The Highlight & Animate Feature highlighted an important idea in prose, while simultaneously animating its representation in an adjacent graphic. It invited readers to integrate ideas depicted in graphics and prose, using each one to interpret the other. The Manipulable Graphics had parts that the reader could operate to discover relationships among phenomena. It invited readers to test or refine the ideas that they brought to, or gleaned from, the text. Use of these support features was compulsory. Twenty fifth grade struggling readers read a graphic-rich digital science text in a clinical interview setting, under one of two conditions: using either the Highlight & Animate Feature or the Manipulable Graphics. Participants in both conditions made statistically significant gains on a multiple choice measure of knowledge of the topic of the text. While there were no significant differences by condition in the amount of knowledge gained; there were significant differences in the quality of knowledge expressed. Transcripts revealed that understandings about light and vision, expressed by those who used the Highlight & Animate Feature, were more often conceptually and linguistically 'complete.' That is, their understandings included both a description of phenomena as well as an explanation of underlying scientific principles, which participants articulated using the vocabulary of the text. This finding may be attributed to the multiple opportunities to integrate graphics (depicting the behavior of phenomena) and prose (providing the scientific explanation of that phenomena), which characterized the Highlight & Animate Condition. Those who used the

  11. Spherical Li{sub 4}Ti{sub 5}O{sub 12} synthesized by spray drying from a different kind of solution

    Energy Technology Data Exchange (ETDEWEB)

    He Zhenjiang [School of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China); Wang Zhixing, E-mail: zhixingwang163@163.com [School of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China); Wu Feixiang; Guo Huajun; Li Xinhai; Xiong Xunhui [School of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China)

    2012-11-05

    Highlights: Black-Right-Pointing-Pointer The precursor powders comprise hollow particles. Black-Right-Pointing-Pointer H{sub 2}O{sub 2} acts as coordination agent that reacts with the Ti to form a large anion. Black-Right-Pointing-Pointer Li{sub 4}Ti{sub 5}O{sub 12} powders can be synthesized at a low temperature of 700 Degree-Sign C. Black-Right-Pointing-Pointer The spherical Li{sub 4}Ti{sub 5}O{sub 12} powders show excellent electrochemical performance. Black-Right-Pointing-Pointer We hope our work will be helpful for other research groups. - Abstract: High energy density Li{sub 4}Ti{sub 5}O{sub 12} powders comprising of spherical nanocrystalline are synthesized by spray drying followed by solid-state calcination. The influences of Li/Ti atomic ratios (0.784, 0.800, 0.816, and 0.832) on the performance of Li{sub 4}Ti{sub 5}O{sub 12} are investigated by means of Thermogravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), Transmission electron microscope (TEM), Galvanostatic cell cycling, as well as Ac impedance spectroscopy. The results indicate that, when the spray-drying precursors at the Li/Ti molar ratio of 0.816 are calcined at 700 Degree-Sign C for 16 h in air, a pure LTO phase with a lithium-excess composition is obtained, which shows the best properties. Between 1.0 and 2.5 V (vs. Li/Li{sup +}), the initial discharge capacities of the powder are 174, 168, 163, 153, and 136 mAhg{sup -1} at a constant current density of 0.1, 0.5, 1, 2, and 5 C, respectively. After 100 cycles, the discharge capacities of the LTO powders remain 97, 95, and 99% of initial discharge capacities at current densities of 1, 2, and 5 C, respectively.

  12. Crystal structure and characterization of the novel NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonded polar crystal [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Wojtas, M., E-mail: maciej.wojtas@chem.uni.wroc.pl [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Gagor, A. [W. Trzebiatowski Institute of Low Temperature and Structure Research, Polish Academy of Science, PO Box 1410, 50-950 Wroclaw (Poland); Czupinski, O. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Medycki, W. [Institute of Molecular Physics, Polish Academy of Science, Smoluchowskiego 17, 60-179 Poznan (Poland); Jakubas, R. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland)

    2012-03-15

    Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonds and molecular motions of the [BF{sub 4}]{sup -} units. The crystal structure of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. {sup 1}H and {sup 19}F NMR measurements indicate the reorientational motions of [BF{sub 4}]{sup -} anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II-I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic-inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic-inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], phase IV. The

  13. A novel research approach on the dynamic properties of photogenerated charge carriers at Ag{sub 2}S quantum-dots-sensitized TiO{sub 2} films by a frequency-modulated surface photovoltage technology

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yu; Zhang, Wei [Liaoning Key Laboratory for Green Synthesis and Preparative Chemistry of Advanced Materials, College of Chemistry, Liaoning University, Shenyang 110036 (China); Xie, Tengfeng; Wang, Dejun [College of Chemistry, Jilin University, Changchun 130012 (China); Song, Xi-Ming, E-mail: songlab@lnu.edu.cn [Liaoning Key Laboratory for Green Synthesis and Preparative Chemistry of Advanced Materials, College of Chemistry, Liaoning University, Shenyang 110036 (China)

    2013-09-01

    Graphical abstract: The changed SPV with chopping frequencies indicate the separation speeds of photogenerated charge carriers in different films. - Highlights: • Ag{sub 2}S-sensitized TiO{sub 2} films show good photoelectric responses in visible-light region. • Frequency-modulated SPV give dynamic information and evidence of Ag{sub 2}S QDSSCs’ performance. • Frequency-modulated SPV can supply complementary information in the study of Ag{sub 2}S ODSSCs. - Abstract: Ag{sub 2}S quantum-dots-sensitized TiO{sub 2} films with different amount of Ag{sub 2}S were fabricated by a successive ionic layer adsorption and reaction (SILAR) method. The separation and transport of photogenerated charge carriers at different spectral regions were studied by the frequency-modulated surface photovoltage technology. Some novel dynamic information of photogenerated charge carriers in a wide spectral range is found. The results indicate that the rate and direction of separation (diffusion) for photogenerated charge carriers are closely related to the performance of quantum-dots-sensitized solar cells (QDSSCs) based on the Ag{sub 2}S/TiO{sub 2} nano-structure.

  14. [Optimal energy supply in different age groups of critically ill children on mechanical ventilation].

    Science.gov (United States)

    Li, X H; Ji, J; Qian, S Y

    2018-01-02

    Objective: To analyze the resting energy expenditure and optimal energy supply in different age groups of critically ill children on mechanical ventilation in pediatric intensive care unit (PICU). Methods: Patients on mechanical ventilation hospitalized in PICU of Beijing Children's Hospital from March 2015 to March 2016 were enrolled prospectively. Resting energy expenditure of patients was calculated by US Med Graphic company critical care management (CCM) energy metabolism test system after mechanical ventilation. Patients were divided into three groups:10 years. The relationship between the measured and predictive resting energy expenditure was analyzed with correlation analysis; while the metabolism status and the optimal energy supply in different age groups were analyzed with chi square test and variance analysis. Results: A total of 102 patients were enrolled, the measured resting energy expenditure all correlated with predictive resting energy expenditure in different age groups (10 years ( r= 0.5, P= 0.0) ) . A total of 40 cases in group, including: 14 cases of low metabolism (35%), 14 cases of normal metabolism (35%), and 12 cases of high metabolism (30%); 45 cases in 3-10 years group, including: 22 cases of low metabolism (49%), 19 cases of normal metabolism (42%), 4 cases of high metabolism (9%); 17 cases in > 10 years group, including: 12 cases of low metabolism (71%), 4 cases of normal metabolism (23%), 1 case of high metabolism (6%). Metabolism status showed significant differences between different age groups ( χ (2)=11.30, P age groups ( F= 46.57, Pgroup, (184±53) kJ/ (kg⋅d) in 3-10 years group, and (120±30) kJ/ (kg⋅d) in > 10 years group. Conclusion: The resting energy metabolism of the critically ill children on mechanical ventilation is negatively related to the age. The actual energy requirement should be calculated according to different ages.

  15. Substitution studies of Mn and Fe in Ln{sub 6}W{sub 4}Al{sub 43} (Ln=Gd, Yb) and the structure of Yb{sub 6}Ti{sub 4}Al{sub 43}

    Energy Technology Data Exchange (ETDEWEB)

    Treadwell, LaRico J.; Watkins-Curry, Pilanda [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Department of Chemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); McAlpin, Jacob D. [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Prestigiacomo, Joseph; Stadler, Shane [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Chan, Julia Y., E-mail: Julia.Chan@utdallas.edu [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Department of Chemistry, University of Texas at Dallas, Richardson, TX 75080 (United States)

    2014-02-15

    The synthesis and characterization of Mn- and Fe-substituted Ln{sub 6}W{sub 4}Al{sub 43} (Ln=Gd, Yb) and Yb{sub 6}Ti{sub 4}Al{sub 43} are reported. The compounds adopt the Ho{sub 6}Mo{sub 4}Al{sub 43} structure type with lattice parameters of a∼11 Å and c∼17.8 Å with structural site preferences for Mn and Fe. The magnetization of Yb{sub 6}W{sub 4}Al{sub 43} is sensitive to Mn and Fe doping, which is evident by an increase in the field dependent magnetization. Gd{sub 6}W{sub 4}Al{sub 43}, Gd{sub 6}W{sub 4}Al{sub 42.31(11)}Mn{sub 0.69(11)}, and Gd{sub 6}W{sub 4}Al{sub 41.69(12)}Fe{sub 1.30(12)} order antiferromagnetically in the ab- and c-directions at 15, 14, and 13 K, respectively, with positive Weiss constants, suggesting the presence of ferromagnetic exchange interactions. Anisotropic magnetization data of Gd{sub 6}W{sub 4}Al{sub 43−y}T{sub y} (T=Mn, Fe) analogs are discussed. - Graphical abstract: The magnetic susceptibility of Ln{sub 6}W{sub 4−x}Al{sub 43−y}T{sub x+y} (Ln = Gd, Yb; T= Mn, Fe). Display Omitted - Highlights: • Single crystals of Ln{sub 6}W{sub 4−x}Al{sub 43−y}T{sub x+y} were grown with Al-flux. • Anisotropic magnetic behavior were determined on single crystals. • Gd{sub 6}W{sub 4−x}Al{sub 43−y}T{sub x+y} (T=Mn, Fe) analogs order antiferromagnetically.

  16. Influence of shear forces on the aggregation and sedimentation behavior of cerium dioxide (CeO{sub 2}) nanoparticles under different hydrochemical conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Bowen; Wang, Chao; Hou, Jun, E-mail: hhuhjyhj@126.com; Wang, Peifang, E-mail: pfwang2005@hhu.edu.cn; Miao, Lingzhan; Li, Yi; Ao, Yanhui; Yang, Yangyang; You, Guoxiang; Xu, Yi [Hohai University, Key Laboratory of Integrated Regulation and Resources Development on Shallow Lakes, Ministry of Education (China)

    2016-07-15

    This study contributed to a better understanding of the behavior of nanoparticles (NPs) in dynamic water. First, the aggregation behavior of CeO{sub 2} NPs at different pH values in various salt solutions was examined to determine the appropriate hydrochemical conditions for hydrodynamics study. Second, the aggregation behavior of CeO{sub 2} NPs under different shear forces was investigated at pH 4 and ionic strength 0 in various salt solutions to find out whether shear forces could influence the stability of the nanoparticles and if yes, how. Also, five-stage sedimentation tests were conducted to understand the influence of shear stress on the vertical distribution of CeO{sub 2} NPs in natural waters. The aggregation test showed that the shear force could increase the collision efficiency between NPs during aggregation and cause a relatively large mass of NPs to remain in suspension. Consequently, the nanoparticles had a greater possibility of continued aggregation. The sedimentation test under static conditions indicated that a large mass of NPs (>1000 nm) sink to the bottom layer, leaving only small aggregates dispersed in the upper or middle layer of the solution. However, later sedimentation studies under stirring conditions demonstrated that shear forces can disrupt this stratification phenomenon. These results suggest that shear forces can influence the spatial distribution of NPs in natural waters, which might lead to different toxicities of CeO{sub 2} NPs to aquatic organisms distributed in the different water layers. This study contributes to a better understanding of nanomaterial toxicology and provides a way for further research.Graphical Abstract.

  17. Vanadium-substituted heteropolyacids immobilized on amine- functionalized mesoporous MCM-41: A recyclable catalyst for selective oxidation of alcohols with H{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Xinbo [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); Wang, Danjun [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); College of Chemistry Chemical Engineering, Yanan University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an 716000 (China); Li, Kebin [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); Zhen, Yanzhong [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); College of Chemistry Chemical Engineering, Yanan University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an 716000 (China); Hu, Huaiming [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); Xue, Ganglin, E-mail: xglin707@163.com [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China)

    2014-09-15

    Graphical abstract: Vanadium-substituted phosphotungstic acids are immobilized on amine- functionalized mesoporous MCM-41 and the hybrid catalyst is proved to be a highly efficient solid catalyst for the oxidation of aromatic alcohols to the corresponding carbonyl compounds with H{sub 2}O{sub 2}, featured by the high conversion and selectivity, easy recovery, and quite steady reuse. - Highlights: • Vanadium-substituted phosphotungstic acid immobilized on amine-functionalized mesoporous MCM-41 are prepared. • HPAs were fixed on the inner surface of mesoporous MCM-41 by chemical bonding to aminosilane groups. • The hybrid catalyst showed much higher catalytic activity than the pure HPAs. • The hybrid catalyst is a highly efficient recyclable solid catalyst for the selective oxidation of aromatic alcohols. - Abstract: New hybrid materials of vanadium-substituted phosphotungstic acids (VHPW) immobilized on amine-functionalized mesoporous MCM-41 (VHPW/MCM-41/NH{sub 2}) are prepared and characterized by FT-IR, XRD, N{sub 2} adsorption, elemental analysis, SEM and TEM for their structural integrity and physicochemical properties. It is found that the structure of the heteropolyacids is retained upon immobilization over mesoporous materials. The catalytic activities of these hybrid materials are tested in the selective oxidation of alcohols to the carbonyl products with 30% aqueous H{sub 2}O{sub 2} as oxidant in toluene. The catalytic activities of different number of vanadium-substituted phosphotungstic acid are investigated, and among the catalysts, H{sub 5}[PV{sub 2}W{sub 10}O{sub 40}] immobilized on amine-functionalized MCM-41 exhibits the highest activity with 97% conversion and 99% selectivity in the oxidation of benzyl alcohol to benzaldehyde. The hybrid catalyst is proved to be a highly efficient recyclable solid catalyst for the selective oxidation of aromatic alcohols to the corresponding aldehydes with H{sub 2}O{sub 2}.

  18. Tungsten-based nanomaterials (WO{sub 3} & Bi{sub 2}WO{sub 6}): Modifications related to charge carrier transfer mechanisms and photocatalytic applications

    Energy Technology Data Exchange (ETDEWEB)

    Girish Kumar, S., E-mail: girichem@yahoo.co.in; Koteswara Rao, K.S.R., E-mail: raoksrk@gmail.com

    2015-11-15

    Graphical abstract: - Highlights: • Photocatalytic applications of WO{sub 3} and Bi{sub 2}WO{sub 6} based nanomaterial are reviewed. • Modifications to improve their performance are highlighted. • Charge carrier generation–separation–recombination is discussed. • Challenges and future prospects in this area are addressed. - Abstract: Heterogeneous photocatalysis is an ideal green energy technology for the purification of wastewater. Although titania dominates as the reference photocatalyst, its wide band gap is a bottleneck for extended utility. Thus, search for non-TiO{sub 2} based nanomaterials has become an active area of research in recent years. In this regard, visible light absorbing polycrystalline WO{sub 3} (2.4–2.8 eV) and Bi{sub 2}WO{sub 6} (2.8 eV) with versatile structure-electronic properties has gained considerable interest to promote the photocatalytic reactions. These materials are also explored in selective functional group transformation in organic reactions, because of low reduction and oxidation potential of WO{sub 3} CB and Bi{sub 2}WO{sub 6} VB, respectively. In this focused review, various strategies such as foreign ion doping, noble metal deposition and heterostructuring with other semiconductors designed for efficient photocatalysis is discussed. These modifications not only extend the optical response to longer wavelengths, but also prolong the life-time of the charge carriers and strengthen the photocatalyst stability. The changes in the surface-bulk properties and the charge carrier transfer dynamics associated with each modification correlating to the high activity are emphasized. The presence of oxidizing agents, surface modification with Cu{sup 2+} ions and synthesis of exposed facets to promote the degradation rate is highlighted. In depth study on these nanomaterials is likely to sustain interest in wastewater remediation and envisaged to signify in various green energy applications.

  19. TiO{sub 2} nanoparticles supported on the Fe{sub 3}O{sub 4}@SiO{sub 2} nanocomposites: a novel magnetic nanocatalyst for the synthesis of 2-aminothiazoles

    Energy Technology Data Exchange (ETDEWEB)

    Safari, Javad, E-mail: safari-jav@yahoo.com, E-mail: safari@kashanu.ac.ir; Abedi-Jazini, Zahra; Zarnegar, Zohre, E-mail: z-zarnegar@yahoo.com; Sadeghi, Masoud [University of Kashan, Laboratory of Organic Compound Research, Department of Organic Chemistry, College of Chemistry (Iran, Islamic Republic of)

    2015-12-15

    Nano TiO{sub 2} supported on the Fe{sub 3}O{sub 4}@SiO{sub 2} nanocomposites is introduced as a novel catalyst for the environmental synthesis of 2-aminothiazoles in PEG-200 as a green medium at room temperature. In this reaction, thiourea and N-bromosuccinimide were reacted with various ketones affording the desired 2-aminothiazole compounds. This green protocol has promising features for the reaction response such as simple procedure, high yields, and the ease of separation of pure product, short reaction time, and convenient manipulation. This catalyst was easily separated by an external magnet, and the recovered catalyst was reused several times without any significant loss of activity.Graphical abstract.

  20. Evaluating the perceived effectiveness of pregnancy-related cigarette package health warning labels among different gender/age groups.

    Science.gov (United States)

    Kollath-Cattano, Christy; Osman, Amira; Thrasher, James F

    2017-03-01

    The impact of pregnancy-related health warning labels (HWLs) appearing on cigarette packages on women of reproductive age and other socio-demographic groups is not well understood. The current study analyzes how different age/gender groups respond to pregnancy-related HWLs as compared to non-pregnancy HWLs. Data were analyzed from four waves of an online longitudinal study with adult smokers aged 18-64 in Australia, Canada, Mexico, and the US. Participants were classified into four age\\gender groups: women 40 and under; men 40 and under; women over 40; men over 40. Participants rated one pregnancy-related and several non-pregnancy related labels on worry, believability, and motivation to quit. Country-specific adjusted linear GEE were estimated regressing ratings for each of the three key outcomes for 1) pregnancy-related HWLs and 2) a rating difference score that subtracted the average ratings of the non-pregnancy warning from the rating of the pregnancy warning. All models adjusted for socio-demographics and smoking related variables. In Mexico and Australia, where graphic pregnancy-related HWL imagery is used (i.e., premature infant), women of reproductive age reported stronger believability, worry, and quit motivation than all other groups. Results were similar in the US, where text only HWLs are used. In contrast in Canada, where the pregnancy-related HWL imagery features a pregnant woman, ratings were unassociated with gender/age groups. Stronger effects among women of reproductive age were limited to pregnancy HWLs in each country, except Canada. HWLs that depict graphic effects to illustrate smoking-related pregnancy risks appear to be perceived as particularly effective among women of reproductive age. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. The responses of endothelial cells to Zr{sub 61}Ti{sub 2}Cu{sub 25}Al{sub 12} metallic glass in vitro and in vivo

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jing, E-mail: monkeys0109@sina.com; Ai, Hong-jun

    2014-07-01

    The goal of this study was to evaluate the biocompatibility of newly developed Zr{sub 61}Ti{sub 2}Cu{sub 25}Al{sub 12} metallic glass (denoted ZT1) and its parallel material, commercially pure titanium (CP-Ti), as dental implants. To this end, we evaluated their cytotoxicity in vitro using human umbilical vein endothelial cells (HUVECs) and in vivo by performing an oral mucosa irritation test in hamsters. Specifically, cytotoxicity was determined in HUVECs by evaluating their cell morphology using scanning electron microscopy (SEM) and their cell viability using CCK-8 assays. Moreover, we examined the mRNA levels of vascular endothelial growth factor and von Willebrand factor by quantitative PCR (qPCR). In the early stages of proliferation and differentiation, no differences were observed between HUVECs inoculated on ZT1 compared to those on CP-Ti. However, in the later stages of proliferation and differentiation, the HUVECs inoculated on ZT1 were significantly better than the cells cultured on CP-Ti. In the oral mucosa irritation test, we sutured sample discs into the cheek pouch of hamsters. After 2, 3, and 4 weeks, we harvested the corresponding mucosal tissues, stained them with hematoxylin and eosin, obtained blood samples for biochemical analysis, and finally, observed the topography of the sample discs by SEM. Immunohistochemistry and hematology analyses showed no differences in the biocompatibility of ZT1 and CP-Ti, and neither of these compounds caused irritation of the mucosa. In addition, SEM images showed that no pitting occurred on the sample discs. Together, these data indicate that ZT1 may be a good candidate for dental implants and should be further studied. - Graphical abstract: The results of blood analysis. (a) WBC, (b) Mon %, (c) Neu %, and (d) Eos %. - Highlights: • We used HUVECs to evaluate the cytotoxicity of Zr{sub 61}Ti{sub 2}Cu{sub 25}Al{sub 12} BMG. • We are the first to evaluate Zr{sub 61}Ti{sub 2}Cu{sub 25}Al{sub 12} BMG using an

  2. Synthesis of NiCo{sub 2}O{sub 4} nanostructures with different morphologies for the removal of methyl orange

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Yaxi; Li, Haizhen; Ruan, Zhongyuan; Cui, Guijia; Yan, Shiqiang, E-mail: yansq@lzu.edu.cn

    2017-01-30

    Highlights: • Magnetic materials NiCo{sub 2}O{sub 4} with six different morphologies were successfully synthesized by a facile method. • Adsorption capacity strongly depends on the morphology. • It could be easily recovered from solution. - Abstract: Aiming to investigate the adsorption removal performance of NiCo{sub 2}O{sub 4} as water purification adsorbents, magnetic materials NiCo{sub 2}O{sub 4} with six different morphologies were successfully synthesized by a facile method. NiCo{sub 2}O{sub 4} with six different morphologies were characterized by scanning electron microscope, Fourier transform infrared spectroscopy, X-ray diffraction, N{sub 2} adsorption-desorption, vibrating sample magnetometry and X-ray energy dispersive spectrometry. In this study, we mainly explored the effect of specific surface area, pore volume and pore size on the performance for the removal of methyl orange, and the adsorption capacity followed an order of (b) NiCo{sub 2}O{sub 4} nanorods > (e) balsam-like NiCo{sub 2}O{sub 4} > (f) rose-like NiCo{sub 2}O{sub 4} > (d) NiCo{sub 2}O{sub 4} nanoribbons > (a) NiCo{sub 2}O{sub 4} flowerlike nanostructures > (c) dandelion-like NiCo{sub 2}O{sub 4} spheres. The results indicated that NiCo{sub 2}O{sub 4} nanorods exhibited better adsorption performance. The reasons for the excellent adsorption capacity of NiCo{sub 2}O{sub 4} nanorods were also discussed in depth by analyzing scale and surface characteristics. Besides, NiCo{sub 2}O{sub 4} could be easily recovered from solution, which may avoid potential secondary pollution. Moreover, adsorption kinetics, the influence of pH and adsorption mechanism were comprehensively investigated. This finding indicated that NiCo{sub 2}O{sub 4} were promising adsorbents for water purification.

  3. Tl{sub 10}Hg{sub 3}Cl{sub 16}: Single crystal growth, electronic structure and piezoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Khyzhun, O.Y., E-mail: khyzhun@ipms.kiev.ua [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Piasecki, M. [Institute of Physics, J.Dlugosz University Częstochowa, Armii Krajowej 13/15, Częstochowa PL-42-217 (Poland); Kityk, I.V. [Electrical Engineering Department, Częstochowa University Technology, Armii Krajowej 17, PL-42-200 Częstochowa (Poland); Luzhnyi, I. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, 50 Pekarska Street, 79010 Lviv (Ukraine); Fochuk, P.M. [Yuriy Fed’kovych Chernivtsi National University, 2 Kotziubynskoho Street, 58012 Chernivtsi (Ukraine); Levkovets, S.I. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025 Lutsk (Ukraine); Karpets, M.V. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025 Lutsk (Ukraine)

    2016-10-15

    Single crystal of the ternary halide Tl{sub 10}Hg{sub 3}Cl{sub 16} was grown using Bridgman-Stockbarger method. For the Tl{sub 10}Hg{sub 3}Cl{sub 16} crystal, we have measured X-ray photoelectron spectra for both pristine and Ar{sup +} ion-bombarded surfaces and additionally investigated photoinduced piezoelectricity. Our data indicate that the Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface is very sensitive with respect to Ar{sup +} ion-bombardment. In particular, Ar{sup +} ion-bombardment with energy of 3.0 keV over 5 min at an ion current density of 14 μA/cm{sup 2} causes significant changes of the elemental stoichiometry of the Tl{sub 10}Hg{sub 3}Cl{sub 16} surface resulting in an abrupt decrease of the mercury content in the top surface layers of the studied single crystal. As a result of the treatment, the mercury content becomes nil in the top surface layers. In addition, the present XPS measurements allow for concluding about very low hygroscopicity of the Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface. The property is extremely important for the crystal handling in optoelectronic or nano-electronic devices working at ambient conditions. The photoinduced piezoelectricity has been explored for Tl{sub 10}Hg{sub 3}Cl{sub 16} depending on nitrogen (λ=371 nm) laser power density and temperature. - Graphical abstract: As-grown single crystal boule of Tl{sub 10}Hg{sub 3}Cl{sub 16}; dependence of the effective piezoelecric coefficient d{sub 33} versus the photoinducing nitrogen laser power density, I, at different temperatures, T; and packing of the polyhedra of halide atoms around Hg atoms in the Tl{sub 10}Hg{sub 3}Cl{sub 16} structure. - Highlights: • High-quality Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal has been grown by Bridgman-Stockbarger method. • Electronic structure of Tl{sub 10}Hg{sub 3}Cl{sub 16} is studied by the XPS method. • Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface is sensitive with respect to Ar{sup +} ion

  4. Surface study and sensing activity of nanotubular indium trioxide to NH{sub 3}, H{sub 2}S, NO{sub 2} and CO environmental pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Zamani, Mehdi, E-mail: m.zamani@du.ac.ir

    2016-02-15

    Graphical abstract: - Highlights: • Molecular and electronic structures of indium oxide nanotube were investigated. • Gas sensing performance of this compound was studied using DFT. • Interaction of environmental pollutants with nanotube surface was examined. - Abstract: Molecular and electronic structures of nanotubular indium trioxide were studied using B3LYP and CAM-B3LYP density functional methods. Three nanotube models including nanotubes with closed ends (CENT), one opened end (OOENT) and two opened ends (TOENT) were considered. The highest occupied molecular orbital (HOMO) of CENT is distributed over the entire nanotube; while it is distributed on the end cap of OOENT. In both CENT and OOENT, the distribution of the lowest unoccupied molecular orbital (LUMO) is on the end caps. HOMO and LUMO of TOENT are distributed on the center of nanotube. The sensing activity of OOENT to environmental pollutants was evaluated regarding the interaction of nanotube with NH{sub 3}, H{sub 2}S, NO{sub 2} and CO molecules. Adsorptions over different positions of OOENT are exothermic and the NH{sub 3} adsorption is thermodynamically more favorable. The selectivity of OOENT toward gaseous pollutants is investigated as NH{sub 3} > H{sub 2}S > CO > NO{sub 2}. Interaction of NO{sub 2} and CO over the closed end (end cap) of nanotube is preferred; while adsorption of NH{sub 3} and H{sub 2}S on the opened end is more favorable.

  5. Realities of Graphic Novels: An Interview with Frederick Aldama

    Directory of Open Access Journals (Sweden)

    Ruzbeh Babaee

    2017-07-01

    Full Text Available The trend about producing and reading graphic novels has grown since the late twentieth century. These books with comic backgrounds seem to have a miraculous energy. They have been even appealing to unenthusiastic readers. They tempt people of different age groups, races and genders. They are also used for teaching ESL courses, e-learning activities, designing reality games, and teaching creative writing. If you talk to its followers, you may get the feedback that graphic novels can fulfil your demands and dreams from writing your assignments to taking you to the moon. Although many researchers have investigated the benefits of graphic novels, many faculties and librarians are still reluctant to include graphic novels in their curricula. Perhaps it is simply the attitude of many teachers and librarians that graphic novels look like a comic book, and simply are not “real” books. They have too few words, too many pictures, and lack quality to be seriously considered as literature. In the following, I, Ruzbeh Babaee, did an interview with Distinguished Professor Frederick Luis Aldama on realities of graphic novels. Aldama is a distinguished scholar and Professor of English at The Ohio State University, United States. In the departments of English and Spanish & Portuguese he is involved in teaching courses on US Latino and Latin American cultural phenomena, literature, film, music, video games, and comic books.  He has founded and directed the White House Hispanic Bright Spot awarded LASER/Latino and Latin American Space for Enrichment Research. Professor Aldama won the Ohio Education Summit Award for Founding & Directing LASER in 2016. In April 2017, Aldama was awarded OSU’s Alumni Award for Distinguished Teaching and inducted into the Academy of Teaching. He is the author, co-author, and editor of 30 books, including his first book of fiction/graphic fiction, Long Stories Cut Short: Fictions from the Borderlands.

  6. Bayesian Graphical Models

    DEFF Research Database (Denmark)

    Jensen, Finn Verner; Nielsen, Thomas Dyhre

    2016-01-01

    Mathematically, a Bayesian graphical model is a compact representation of the joint probability distribution for a set of variables. The most frequently used type of Bayesian graphical models are Bayesian networks. The structural part of a Bayesian graphical model is a graph consisting of nodes...

  7. Graphics workflow optimization when editing standard tasks using modern graphics editing programs

    OpenAIRE

    Khabirova, Maja

    2012-01-01

    This work focuses on the description and characteristics of common problems which graphic designers face daily when working for advertising agencies. This work describes tasks and organises them according to the type of graphic being processed and the types of output. In addition, this work describes the ways these common tasks can be completed using modern graphics editing software. It also provides a practical definition of a graphic designer and graphic agency. The aim of this work is to m...

  8. Children's identification of graphic symbols representing four basic emotions: comparison of Afrikaans-speaking and Sepedi-speaking children.

    Science.gov (United States)

    DeKlerk, Hester M; Dada, Shakila; Alant, Erna

    2014-01-01

    Speech language pathologists recommend graphic symbols for AAC users to facilitate communication, including labelling and expressing emotions. The purpose of the current study was to describe and compare how 5- to 6-year-old Afrikaans- and Sepedi-speaking children identify and choose graphic symbols to depict four basic emotions, specifically happy, sad, afraid, and angry. Ninety participants were asked to select the graphic symbol from a 16-matrix communication overlay that would represent the emotion in response to 24 vignettes. The results of the t-tests indicated that the differences between the two groups' selection of target symbols to represent the four emotions are statistically significant. The results of the study indicate that children from different language groups may not perceive graphic symbols in the same way. The Afrikaans-speaking participants more often choose target symbols to represent target basic emotions than did the Sepedi-speaking participants. The most preferred symbols per emotion were identified and these different symbols were analysed in terms of facial features that distinguish them. Readers of this article will (1) recognise the importance of expressing basic emotions for children, particularly those that use AAC, (2) identify the possible limitations of line drawings for expressing and labelling basic emotions in typically developing children and (3) recognise the importance of cultural influences on recognition of basic emotions. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. PC Graphic file programing

    International Nuclear Information System (INIS)

    Yang, Jin Seok

    1993-04-01

    This book gives description of basic of graphic knowledge and understanding and realization of graphic file form. The first part deals with graphic with graphic data, store of graphic data and compress of data, programing language such as assembling, stack, compile and link of program and practice and debugging. The next part mentions graphic file form such as Mac paint file, GEM/IMG file, PCX file, GIF file, and TIFF file, consideration of hardware like mono screen driver and color screen driver in high speed, basic conception of dithering and conversion of formality.

  10. Epitaxial alloys of Al{sub x}Ga{sub 1−x}As:Mg with different types of conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Seredin, P.V., E-mail: paul@phys.vsu.ru [Voronezh State University, Universitetskaya pl., 1, 394006 Voronezh (Russian Federation); Lenshin, A.S. [Voronezh State University, Universitetskaya pl., 1, 394006 Voronezh (Russian Federation); Arsentyev, I.N., E-mail: arsentyev@mail.ioffe.ru [Ioffe Physical and Technical Institute, Polytekhnicheskaya, 26, 194021 St-Petersburg (Russian Federation); Tarasov, I.S. [Ioffe Physical and Technical Institute, Polytekhnicheskaya, 26, 194021 St-Petersburg (Russian Federation); Prutskij, Tatiana, E-mail: prutskij@yahoo.com [Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, Privada 17 Norte, No 3417, Col San Miguel Hueyotlipan, 72050 Puebla, Pue. (Mexico); Leiste, Harald; Rinke, Monika [Karlsruhe Nano Micro Facility, H.-von-Helmholtz-Platz, 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2016-10-01

    This project employed high-resolution X-ray diffraction, Raman spectroscopy and photoluminescence spectroscopy to investigate the structural, optical and band energy properties of the MOCVD epitaxial heterostructures, Al{sub x}Ga{sub 1−x}As:Mg/GaAs(100), with different levels of magnesium doping. It was shown that the choice of technological conditions used in the preparation of the Al{sub x}Ga{sub 1−x}As:Mg alloy allowed different types of conductivity and it was also possible to achieve significantly different concentrations of the charge carriers in the epitaxial film.

  11. Graphics with Mathematica fractals, Julia sets, patterns and natural forms

    CERN Document Server

    Getz, Chonat

    2004-01-01

    In this book we generate graphic images using the software Mathematica thus providing a gentle and enjoyable introduction to this rather technical software and its graphic capabilities. The programs we use for generating these graphics are easily adaptable to many variations.These graphic images are enhanced by introducing a variety of different coloring techniques.Detailed instructions are given for the construction of some interesting 2D and 3D fractals using iterated functions systems as well as the construction of many different types of Julia sets and parameter sets such as the Mandelbrot

  12. Effect of structural packing on the luminescence properties in tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Yin Xin; Shi Liu [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Wei Ang, E-mail: iamawei@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays, 9 Wenyuan Road, Nanjing 210046 (China); Wan Dongyun; Wang Yaoming [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Huang Fuqiang, E-mail: huangfq@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2012-08-15

    Tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba) were successfully synthesized, and the luminescence properties were investigated. Among the three compounds, Ca{sub 2}KNb{sub 5}O{sub 15} showed an obviously broad band of host luminescence at 460 nm with exciting at 269 nm. By doping Eu{sup 3+} into the M sites, Ca{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} displayed strong red emission from Eu{sup 3+} ions characteristic transitions, nearly four times higher than Sr{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} and seven times higher than Ba{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+}. Crystal packing factor (PF) was introduced to account for this luminescence difference, lower PF being correlated to higher luminescence intensity for perovskite-related structure. Both the as-prepared compounds and the literature examples were proved to fit this correlation. This can be explained through the influence of the structural packing on the environment distortion and crystal field splitting of the doping site. - Graphical abstract: Tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba) show the dependence of luminescence properties on structural packing, among which Ca{sub 2}KNb{sub 5}O{sub 15} has the superior luminescence. Highlights: Black-Right-Pointing-Pointer Tungsten bronze compounds were synthesized by solid state reaction. Black-Right-Pointing-Pointer Ca{sub 2}KNb{sub 5}O{sub 15} displayed remarkably blue host luminescence. Black-Right-Pointing-Pointer Ca{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} showed more intense red emission than M{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} (M=Sr, Ba). Black-Right-Pointing-Pointer The relationship between crystal packing factor and luminescence was obtained.

  13. Ab-initio study of the stability of the D8{sub m}-Nb{sub 5}Sn{sub 2}Ga and D8{sub m}-Ta{sub 5}SnGa{sub 2} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Colinet, Catherine, E-mail: ccolinet@simap.grenoble-inp.fr [Science et Ingénierie des Matériaux et Procédés, Grenoble INP, UJF, CNRS, 38402 Saint Martin d’Hères Cedex (France); Tedenac, Jean-Claude [Institut de Chimie Moléculaire et des Matériaux I.C.G., UMR-CNRS 5253, Université Montpellier II, Place E. Bataillon, 34095 Montpellier Cedex 5 (France)

    2015-03-15

    Graphical abstract: Thermodynamic data along the sections Ta{sub 5}Sn{sub 3}–Ta{sub 5}Ga{sub 3} at low and high temperature. - Highlights: • First principles calculations were performed along sections V{sub 5}Sn{sub 3}–V{sub 5}Ga{sub 3}, Nb{sub 5}Sn{sub 3}–Nb{sub 5}Ga{sub 3}, and Ta{sub 5}Sn{sub 3}–Ta{sub 5}Ga{sub 3}. • The ternary compound D8{sub m}-Nb{sub 5}Sn{sub 2}Ga is stable. • The phase D8{sub m}-Ta{sub 5}SnGa{sub 2} is stable in the D8{sub m} structure. • In this phase, the Sn and Ga atoms share the 8h sites. - Abstract: First principles calculations have been performed in the T–Sn–Ga (T = V, Nb, Ta) systems along the section x{sub T} = 0.625. The enthalpies of formation of the binary and ternary D8{sub m}, D8{sub 1}, and D8{sub 8} structures have been calculated. In the V–Sn–Ga system, no ternary structure is stable in the section. In the Nb–Sn–Ga system, the ternary compound D8{sub m}-Nb{sub 5}Sn{sub 2}Ga is stable. In the Ta–Sn–Ga system, a combination of the ab-initio calculations and Gibbs energy calculations using the sublattice model allows the show that the phase D8{sub m}-Ta{sub 5}(Sn,Ga){sub 2}Ga with a mixed occupancy of the 8h sites of the structure by Ga and Sn atoms is stable at high temperature due to the configurational entropy. These results are in agreement with the experimental determinations previously published in the literature.

  14. The complex metal-rich boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68, y=1.06) with a new structure type containing B{sub 4} zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Goerens, Christian [Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52064 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52064 Aachen (Germany)

    2012-08-15

    Polycrystalline samples and single crystals of the new complex boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B{sub 4} fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) A, b=14.995(2) A and c=3.234(1) A. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B{sub 4} fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior. - graphical abstract: The structure of Ti{sub 1.68(2)}Rh{sub 2.38(6)}Ir{sub 1.94(4)} B{sub 3}, a new structure type containing planar trans zigzag B{sub 4} units, is another example which illustrates the tendency of metal-rich borides to form B-B bonds with increasing boron content. Beside the B{sub 4} fragment it exhibits one-dimensional chains of titanium atoms and hold one-dimensional strings of face-sharing empty tetrahedral and square pyramidal clusters (see figure). Highlights

  15. The Li–Si–(O)–N system revisited: Structural characterization of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O

    Energy Technology Data Exchange (ETDEWEB)

    Casas-Cabanas, M. [CIC energiGUNE, Parque Tecnológico de Álava, Albert Einstein 48, ED.CIC, 01510 Miñano (Spain); Santner, H. [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, 08193 Bellaterra, Catalonia (Spain); Palacín, M.R., E-mail: rosa.palacin@icmab.es [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, 08193 Bellaterra, Catalonia (Spain)

    2014-05-01

    A systematic study of the Li–Si–(O)–N system is presented. The synthetic conditions to prepare Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are described and the structure of the last two compounds has been solved for the first time. While Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Graphical abstract: A systematic study of the Li–Si–(O)–N system is presented. Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Highlights: • Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are prepared. • The structures of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are presented. • Li{sub 21}Si{sub 3}N{sub 11} exhibits an anti-fluorite superstructure with Li and Si ordering.

  16. Cs{sub 4}P{sub 2}Se{sub 10}: A new compound discovered with the application of solid-state and high temperature NMR

    Energy Technology Data Exchange (ETDEWEB)

    Gave, Matthew A; Canlas, Christian G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Chung, In [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States); Iyer, Ratnasabapathy G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Kanatzidis, Mercouri G [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States)], E-mail: m-kanatzidis@northwestern.edu; Weliky, David P. [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States)], E-mail: weliky@chemistry.msu.edu

    2007-10-15

    The new compound Cs{sub 4}P{sub 2}Se{sub 10} was serendipitously produced in high purity during a high-temperature synthesis done in a nuclear magnetic resonance (NMR) spectrometer. {sup 31}P magic angle spinning (MAS) NMR of the products of the synthesis revealed that the dominant phosphorus-containing product had a chemical shift of -52.8 ppm that could not be assigned to any known compound. Deep reddish brown well-formed plate-like crystals were isolated from the NMR reaction ampoule and the structure was solved with X-ray diffraction. Cs{sub 4}P{sub 2}Se{sub 10} has the triclinic space group P-1 with a=7.3587(11) A, b=7.4546(11) A, c=10.1420(15) A, {alpha}=85.938(2){sup o}, {beta}=88.055(2){sup o}, and {gamma}=85.609(2){sup o} and contains the [P{sub 2}Se{sub 10}]{sup 4-} anion. To our knowledge, this is the first compound containing this anion that is composed of two tetrahedral (PSe{sub 4}) units connected by a diselenide linkage. It was also possible to form a glass by quenching the melt in ice water, and Cs{sub 4}P{sub 2}Se{sub 10} was recovered upon annealing. The static {sup 31}P NMR spectrum at 350 deg. C contained a single peak with a -35 ppm chemical shift and a {approx}7 ppm peak width. This study highlights the potential of solid-state and high-temperature NMR for aiding discovery of new compounds and for probing the species that exist at high temperature. - Graphical abstract: The new compound Cs{sub 4}P{sub 2}Se{sub 10} was discovered following a high-temperature in situ synthesis in the NMR spectrometer and the structure was determined by single-crystal X-ray diffraction. It contains the new [P{sub 2}Se{sub 10}]{sup 4-} anion.

  17. Quaternary rare-earth sulfides RE{sub 3}M{sub 0.5}GeS{sub 7} (RE=La–Nd, Sm; M=Co, Ni) and Y{sub 3}Pd{sub 0.5}SiS{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Iyer, Abishek K. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900 (China); Lee, Emma J. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada); Lin, Xinsong [Centre for Oil Sands Sustainability, Northern Alberta Institute of Technology, Edmonton, Alberta, Canada T6N 1E5 (Canada); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada)

    2017-06-15

    The two metal-deficient series of quaternary Ge-containing sulfides RE{sub 3}M{sub 0.5}GeS{sub 7} (RE = La–Nd, Sm; M = Co, Ni), as well as the related Si-containing sulfide Y{sub 3}Pd{sub 0.5}SiS{sub 7}, were prepared by reactions of the elements at 1050 °C. Single-crystal X-ray diffraction analysis performed on all compounds confirmed noncentrosymmetric hexagonal structures (space group P6{sub 3}, Z =2) with cell parameters in the ranges of a =10.0–10.3 Å and c =5.7–5.8 Å for RE{sub 3}Co{sub 0.5}GeS{sub 7} and RE{sub 3}Ni{sub 0.5}GeS{sub 7}, or a =9.7891(3) Å and c =5.6840(4) Å for Y{sub 3}Pd{sub 0.5}SiS{sub 7}. They are classified as La{sub 3}Mn{sub 0.5}SiS{sub 7}-type structures, with M atoms centred within octahedra (in contrast to La{sub 3}CuSiS{sub 7}-type structures in which M atoms occupy trigonal planar sites) and Ge atoms centred within tetrahedra, both types of polyhedra being arranged in one-dimensional stacks aligned along the c-direction. Charge balance requirements dictate half-occupancy of the M sites. However, bond valence sum arguments indicated that the M atoms are somewhat underbonded within these octahedral sites, so that there is evidence that in some compounds, they can also enter the trigonal planar site at low occupancy (~5%). Magnetic measurements on RE{sub 3}Co{sub 0.5}GeS{sub 7} (RE = Ce, Pr, Sm) revealed paramagnetic behaviour for the Ce and Pr members and apparent antiferromagnetic ordering (T{sub N} =14 K) for the Sm member; fitting to the Curie-Weiss law gave effective magnetic moments consistent with the presence of RE{sup 3+} and Co{sup 2+} species. Band structure calculations on ordered models of La{sub 3}M{sub 0.5}GeS{sub 7} (M = Co, Ni) showed that the Fermi level cuts through M 3d states in the DOS curve and supported the presence of strong M–S and Ge–S bonding interactions. - Graphical abstract: RE{sub 3}M{sub 0.5}GeS{sub 7} (M = Co, Ni) and Y{sub 3}Pd{sub 0.5}SiS{sub 7} contain M atoms partially occupying

  18. Difference between T sub 1 and T sub 2 weighted MR images in avascular necrosis of the femoral head

    Energy Technology Data Exchange (ETDEWEB)

    Kokubo, Takashi; Yoshikawa, Koki; Itai, Yuzo; Iio, Masahiro; Takatori, Yoshio; Kamogawa, Morihide; Ninomiya, Setsuo [Tokyo Univ. (Japan). Faculty of Medicine

    1990-01-01

    T{sub 1} and T{sub 2} weighted MR images were compared in 32 hips with avascular necrosis, and the difference between them was discussed. In 27 of 32 hips, abnormal low intensity area in the affected femoral head is smaller in T{sub 2} weighted images than in T{sub 1} weighted images. The area of low intensity on T{sub 1} weighted image and high on T{sub 2} weighted image might be granuloma in reactive tissue and surrounding hyperemia. The difference between T{sub 1} and T{sub 2} weighted images must be taken into consideration especially in determination of the border of affected bone. (author).

  19. Synthesis, structural and electrical properties of [C{sub 2}H{sub 10}N{sub 2}][(SnCl(NCS){sub 2}]{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Karoui, Sahel [Laboratoire genie de materiaux et environnement, ENIS, BP.1173,3038- Sfax, Universite de Sfax (Tunisia); Kamoun, Slaheddine, E-mail: slah.kamoun@gmail.com [Laboratoire genie de materiaux et environnement, ENIS, BP.1173,3038- Sfax, Universite de Sfax (Tunisia); Jouini, Amor [Laboratoire de Chimie du Solide, Departement de Chimie, Faculte des Sciences de Monastir, 5019 Monastir (Tunisia)

    2013-01-15

    Synthesis, structural and electrical properties are given for a new organic stannous pseudo halide material. The structure of the [C{sub 2}H{sub 10}N{sub 2}][(SnCl(NCS){sub 2}]{sub 2} reveals that the adjacent Sn(II) centres are bridged by a pair of SCN{sup -} anions to form a 1-D array giving rise to the anionic chains (SnCl(NCS){sub 2}){sub n}{sup n-}. These chains are themselves interconnected by means of N-H Horizontal-Ellipsis Cl(S) hydrogen bonds originating from the organic cation [(NH{sub 3}){sub 2}(CH{sub 2}){sub 2}]{sup 2+}. The AC impedance measurements were performed as a function of both frequency and temperature. The electrical conduction and dielectric relaxation have been studied. The activation energy associated with the electrical relaxation determined from the electric modulus spectra was found close to that of the activation energy obtained for DC conductivity. The conduction mechanisms are attributed to the quantum mechanical tunneling model in phase I and to the proton hopping among hydrogen vacancies in phase II. - Graphical abstract: Atomic coordination in [C2H10N2][SnCl(NCS)2)2]. Highlights: Black-Right-Pointing-Pointer X-ray diffraction analysis shows the 1D network character of the structure. Black-Right-Pointing-Pointer DSC experiments show a phase transition at 336 K. Black-Right-Pointing-Pointer The AC conductivity is interpreted in terms of Jonsher's law. Black-Right-Pointing-Pointer Two conduction mechanisms are proposed for phase I and II.

  20. Luminescence properties of phosphate phosphor Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fu [College of Science, Hebei North University, Zhangjiakou 075000 (China); Liu, Yufeng, E-mail: liuyufeng4@126.com [State Key Lab of Power Systems, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Tian, Xiaodong; Dong, Guoyi [College of Physics Science and Technology, Hebei University, Baoding 071002 (China); Yu, Quanmao [Institute of Functional Materials, Jiangxi University of Finance & Economics, Nanchang 330013 (China)

    2015-05-15

    A series of reddish orange-emitting phosphate phosphors Ba{sub 3}Y{sub 1−x}(PO{sub 4}){sub 3}:xSm{sup 3+}(0.01≤x≤0.20) were synthesized by solid-state reaction. X-ray diffraction and photoluminescence spectra were utilized to characterize the structure and luminescence properties of as-synthesized phosphors. The optimized phosphors Ba{sub 3}Y{sub 0.95}(PO{sub 4}){sub 3}:0.05Sm{sup 3+} present several excitation bands from 300 to 500 nm, and exhibit intense reddish orange-emitting properties. The energy transfer type between Sm{sup 3+} ions was confirmed as d–d interaction by using Van Uitert model. The chromatic properties of the typical sample Ba{sub 3}Y(PO{sub 4}){sub 3}:0.05Sm{sup 3+} phosphor have been found to have chromaticity coordinates of (0.583, 0.405), which are located in reddish orange region under the excitation of 401 nm. These results indicated that Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+} phosphors have potential applications in the field of lighting and display due to their effective excitation in the near-ultraviolet range. - Graphical abstract: The color coordinates for 5 mol% Sm{sup 3+} doped Ba{sub 3}Y(PO{sub 4}){sub 3} phosphor were calculated to be (0.583, 0.405), which are located in reddish orange region under the excitation of 401 nm. The peaks of Ba{sub 3}Y{sub 0.95}(PO{sub 4}){sub 3}:0.05Sm{sup 3+} phosphor with the highest emission intensity at 600 nm are broader than those of Y{sub 2}O{sub 3}:Eu{sup 3+} and Y{sub 2}O{sub 2}S:Eu{sup 3+} phosphors. All these characteristics suggest that Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+} phosphors are suitable for near-UV (370–410 nm) excitation and can be applicable to near UV-based WLEDs. ▪ - Highlights: • Different concentration Sm{sup 3+}-doped Ba{sub 3}Y(PO{sub 4}){sub 3} phosphors were fabricated by solid state method. • The optimized phosphors present the several excitation bands from 300 to 500 nm. • The Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+} shows bright reddish orange

  1. Stability of fluorite-type La{sub 2}Ce{sub 2}O{sub 7} under extreme conditions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, F.X., E-mail: zhangfx@umich.edu [Department of Earth and Environmental Sciences, The University of Michigan, Ann Arbor, MI 48109 (United States); State Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao, Hebei 066004 (China); Tracy, C.L. [Department of Materials Science and Engineering, The University of Michigan, Ann Arbor, MI 48109 (United States); Lang, M. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37966 (United States); Ewing, R.C. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States)

    2016-07-25

    The structural stability of fluorite-type La{sub 2}Ce{sub 2}O{sub 7} was studied at pressure up to ∼40 GPa and under hydrothermal conditions of ∼1 GPa and up to 350 °C, respectively, using synchrotron X-ray diffraction (XRD) and Raman scattering measurements. XRD measurements indicated that the fluorite-type La{sub 2}Ce{sub 2}O{sub 7} is not stable at pressures greater than 22.6 GPa and gradually transformed to a high-pressure phase. The high-pressure phase is not stable and changed back to the fluorite-type structure when pressure is released. The La{sub 2}Ce{sub 2}O{sub 7} fluorite is also not stable under hydrothermal conditions and began to react with water at 200–250 °C. Both Raman and XRD results suggest that lanthanum hydroxide La(OH){sub 3} and La{sup 3+}-doped CeO{sub 2} fluorite are the dominant products after hydrothermal treatment. - Graphical abstract: The fluorite-type La{sub 2}Ce{sub 2}O{sub 7} reacted with water at hydrothermal condition (1 GPa, and above 200 °C), and formed rare earth hydroxides. - Highlights: • La{sub 2}Ce{sub 2}O{sub 7} transforms to a metastable phase at pressure higher than 21 GPa. • La{sub 2}Ce{sub 2}O{sub 7} reacts with water at ∼1 GPa and above 200 °C. • The pressure-induced phase transition is reversible.

  2. Coal lithotypes before and after saturation with CO{sub 2}; insights from micro- and mesoporosity, fluidity, and functional group distribution

    Energy Technology Data Exchange (ETDEWEB)

    Mastalerz, M.; Drobniak, A. [Indiana Geological Survey, Indiana University, 611 North Walnut Grove Ave., Bloomington, IN 47405-2208 (United States); Walker, R. [Pearson Coal Petrography, 7300 W. 15th Ave, Gary, IN 46406 (United States); Morse, D. [Illinois State Geological Survey, University of Illinois, Champaign, Illinois, 61820 (United States)

    2010-09-01

    Four lithotypes, vitrain, bright clarain, clarain, and fusain, were hand-picked from the core of the Pennsylvanian Springfield Coal Member (Petersburg Formation) in Illinois. These lithotypes were analyzed petrographically and for meso- and micropore characteristics, functional group distribution using FTIR techniques, and fluidity. High-pressure CO{sub 2} adsorption isotherm analyses of these lithotypes were performed and, subsequently, all samples were reanalyzed in order to investigate the effects of CO{sub 2}. After the high-pressure adsorption isotherm analysis was conducted and the samples were reanalyzed, there was a decrease in BET surface area for vitrain from 31.5 m{sup 2}/g in the original sample to 28.5 m{sup 2}/g, as determined by low-pressure nitrogen adsorption. Bright clarain and clarain recorded a minimal decrease in BET surface area, whereas for fusain there was an increase from 6.6 m{sup 2}/g to 7.9 m{sup 2}/g. Using low-pressure CO{sub 2} adsorption techniques, a small decrease in the quantity of the adsorbed CO{sub 2} is recorded for vitrain and bright clarain, no difference is observed for clarain, and there is an increase in the quantity of the adsorbed CO{sub 2} for fusain. Comparison of the FTIR spectra before and after CO{sub 2} injection for all lithotypes showed no differences with respect to functional group distribution, testifying against chemical nature of CO{sub 2} adsorption. Gieseler plastometry shows that: 1) softening temperature is higher for the post-CO{sub 2} sample (389.5 C vs. 386 C); 2) solidification temperature is lower for the post-CO{sub 2} sample (443.5 C vs. 451 C); and 3) the maximum fluidity is significantly lower for the post-CO{sub 2} sample (4 ddpm vs. 14 ddpm). (author)

  3. Magnetically separable mesoporous Fe{sub 3}O{sub 4}/silica catalysts with very low Fe{sub 3}O{sub 4} content

    Energy Technology Data Exchange (ETDEWEB)

    Grau-Atienza, A.; Serrano, E.; Linares, N. [Molecular Nanotechnology Laboratory, Department of Inorganic Chemistry, University of Alicante, Carretera San Vicente s/n, E-03690 Alicante (Spain); Svedlindh, P. [Department of Engineering Sciences, Uppsala University, Box 534, SE-75121 Uppsala (Sweden); Seisenbaeva, G., E-mail: Gulaim.Seisenbaeva@slu.se [Department of Chemistry and Biotechnology, BioCenter SLU, Box 7015, SE-75007 Uppsala (Sweden); García-Martínez, J., E-mail: j.garcia@ua.es [Molecular Nanotechnology Laboratory, Department of Inorganic Chemistry, University of Alicante, Carretera San Vicente s/n, E-03690 Alicante (Spain)

    2016-05-15

    Two magnetically separable Fe{sub 3}O{sub 4}/SiO{sub 2} (aerogel and MSU-X) composites with very low Fe{sub 3}O{sub 4} content (<1 wt%) have been successfully prepared at room temperature by co-condensation of MPTES-functionalized Fe{sub 3}O{sub 4} nanoparticles (NPs) with a silicon alkoxide. This procedure yields a homogeneous incorporation of the Fe{sub 3}O{sub 4} NPs on silica supports, leading to magnetic composites that can be easily recovered using an external magnetic field, despite their very low Fe{sub 3}O{sub 4} NPs content (ca. 1 wt%). These novel hybrid Fe{sub 3}O{sub 4}/SiO{sub 2} materials have been tested for the oxidation reaction of 3,3′,5,5′-tetramethylbenzidine (TMB) with hydrogen peroxide showing an enhancement of the stability of the NPs in the Fe{sub 3}O{sub 4}/silica aerogel as compared to the Fe{sub 3}O{sub 4} NPs alone, even after five catalytic cycles, no leaching or agglomeration of the Fe{sub 3}O{sub 4}/SiO{sub 2} systems. - Graphical abstract: Novel magnetically separable mesoporous silica-based composites with very low magnetite content. - Highlights: • An innovative way to prepare magnetically separable composites with <1 wt% NPs. • The Fe{sub 3}O{sub 4}/silica composites are readily magnetized/demagnetized. • The Fe{sub 3}O{sub 4}/silica composites can be easily recovered using an external magnetic field. • Excellent catalytic performance and recyclability despite the low Fe{sub 3}O{sub 4} NPs content.

  4. Moessbauer investigation of Sm{sub 2}Fe{sub 17-x}Ga{sub x} powders at different steps of the HDDR process

    Energy Technology Data Exchange (ETDEWEB)

    Steyaert, S.; Breton, J.-M. le; Teillet, J. [Rouen Univ. (France). Groupe de Metall. Phys.; Kubis, M.; Handstein, A.; Mueller, K.H. [Rouen Univ. (France). Groupe de Metall. Phys.]|[Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany). Inst. fuer Metallische Werkstoffe

    1998-07-01

    Sm{sub 2}Fe{sub 17-x}Ga{sub x} powders (x=0,0.5,1,2) obtained at different steps of the HDDR process were analysed by Moessbauer spectrometry. For the homogenised powders, the mean hyperfine field of the Sm{sub 2}Fe{sub 17-x}Ga{sub x} contribution increases with Ga content in agreement with a lattice expansion. The anisotropy change from planar to uniaxial is confirmed in samples with x = 2. In the hydrogenated powders, the value of the mean hyperfine field of Sm{sub 2}Fe{sub 17-x}Ga{sub x}H{sub y} is greater than that of Sm{sub 2}Fe{sub 17-x}Ga{sub x} in the corresponding homogenised powders, in agreement with the presence of hydrogen in the 2:17 structure. It decreases with increasing Ga amount, suggesting that the H content in the Sm{sub 2}Fe{sub 17-x}Ga{sub x}H{sub y} phase decreases with increasing Ga content. In the disproportionated powders, the disproportionation reaction is incomplete for x {>=} 1 as the contributions of both the Sm{sub 2}Fe{sub 17-x}Ga{sub x}H{sub y} and {alpha}-Fe(Ga) phases are observed in the corresponding Moessbauer spectra. This indicates that for x {>=} 1 the hydrogen diffusion is inhibited during hydrogenation. (orig.)

  5. Life of Pizza Pie: The Implications of Sub-Group Comparisons in Education

    Science.gov (United States)

    Thomas, Tara N.

    2013-01-01

    Current educational statistics have pitted subgroups against one another without consideration of the actual population sizes of each group. This paper is intended to provided a clearer understanding of the current usage of sub-group comparisons in American education. (Contains 4 figures.)

  6. Students' Preferred Learning Styles in Graphic Communications

    Science.gov (United States)

    Ernst, Jeremy V.; Clark, Aaron C.

    2008-01-01

    The objective of this study was to identify changes in dominant preferred learning styles of students based on instructional presentation of course content. This study evaluates dominant preferred learning styles of two groups of university students. The first group of students was enrolled in a course that introduces graphical representation in…

  7. Study on photocurrent of bilayers photoanodes using different combination of WO{sub 3} and Fe{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Memar, Amir; Daud, Wan Ramli Wan; Eftekhari, Ehsan; Minggu, Lorna Jeffery [Institute of Fuel Cell, University Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Hosseini, Soraya [Department Chemical and Environmental Engineering, University Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia)

    2010-08-15

    Bilayer photoanodes were prepared onto glass substrates (FTO) in order to improve generated photocurrents using UV-vis light by water splitting process. A comparative study of photocatalytic was performed over the films surface using Fe{sub 2}O{sub 3,} WO{sub 3} and mixture of bicomponents (Fe{sub 2}O{sub 3}:WO{sub 3}). Different types of films were prepared using Fe{sub 2}O{sub 3,} WO{sub 3} and bicomponents (mixture) on FTO substrates. The films were grown by sol gel method with the PEG-300 as the structure-directing agent. The photo-generated of the samples were determined by measuring the currents and voltages under illumination of UV-vis light. The morphology, structure and related composition distribution of the films have been characterized by SEM, XRD and EDX respectively. Photocurrent measurements indicated surface roughness as the effective parameter in this study. The deposited surfaces by bicomponents or mixture are flat without any feature on the surface while the deposited surfaces by WO{sub 3} appears rough surface as small round (egg-shaped particles) and cauliflower-like. The surface deposited by Fe{sub 2}O{sub 3} show rough no as well as WO{sub 3} surface. The deposited surfaces by WO{sub 3} reveal the higher value of photocurrent measurement due to surface roughness. Indeed, the roughness can be effective in increasing contact surface area between film and electrolyte and diffuse reflection (light scattering effect). The solution (Fe{sub 2}O{sub 3}:WO{sub 3}) shows the low photocurrent value in compare to WO{sub 3} and Fe{sub 2}O{sub 3} hat it may be due to decomposition the compound at 450 {+-} 1 C to iron-tungstate Fe{sub 2}(WO{sub 4}){sub 3}. (author)

  8. Y-chromosomal variation in Sub-Saharan Africa: insights into the history of Niger-Congo groups

    Science.gov (United States)

    de Filippo, Cesare; Barbieri, Chiara; Whitten, Mark; Mpoloka, Sununguko Wata; Gunnarsdóttir, Ellen Drofn; Bostoen, Koen; Nyambe, Terry; Beyer, Klaus; Schreiber, Henning; de Knijff, Peter; Luiselli, Donata; Stoneking, Mark; Pakendorf, Brigitte

    2013-01-01

    Technological and cultural innovations, as well as climate changes, are thought to have influenced the diffusion of major language phyla in sub-Saharan Africa. The most widespread and the richest in diversity is the Niger-Congo phylum, thought to have originated in West Africa ~10,000 years ago. The expansion of Bantu languages (a family within the Niger-Congo phylum) ~5,000 years ago represents a major event in the past demography of the continent. Many previous studies on Y chromosomal variation in Africa associated the Bantu expansion with haplogroup E1b1a (and sometimes its sub-lineage E1b1a7). However, the distribution of these two lineages extends far beyond the area occupied nowadays by Bantu speaking people, raising questions on the actual genetic structure behind this expansion. To address these issues, we directly genotyped 31 biallelic markers and 12 microsatellites on the Y chromosome in 1195 individuals of African ancestry focusing on areas that were previously poorly characterized (Botswana, Burkina Faso, D.R.C, and Zambia). With the inclusion of published data, we analyzed 2736 individuals from 26 groups representing all linguistic phyla and covering a large portion of Sub-Saharan Africa. Within the Niger-Congo phylum, we ascertain for the first time differences in haplogroup composition between Bantu and non-Bantu groups via two markers (U174 and U175) on the background of haplogroup E1b1a (and E1b1a7), which were directly genotyped in our samples and for which genotypes were inferred from published data using Linear Discriminant Analysis on STR haplotypes. No reduction in STR diversity levels was found across the Bantu groups, suggesting the absence of serial founder effects. In addition, the homogeneity of haplogroup composition and pattern of haplotype sharing between Western and Eastern Bantu groups suggest that their expansion throughout Sub-Saharan Africa reflects a rapid spread followed by backward and forward migrations. Overall, we found

  9. Growth of niobium on the three-dimensional topological insulator Bi{sub 2}Te{sub 1.95}Se{sub 1.05}

    Energy Technology Data Exchange (ETDEWEB)

    Meixner, Philipp [Novel Materials Group, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of); Lim, Seong Joon [Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of); Park, Joonbum; Kim, Jun Sung [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Fischer, Saskia F. [Novel Materials Group, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Seo, Jungpil [NANOSPM Lab, Daegu Gyeongbuk Institute of Science and Technology, Daegu 711-873 (Korea, Republic of); Kuk, Young [Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of)

    2016-01-15

    Graphical abstract: - Highlights: • We grew niobium on topological insulator at different substrate temperatures. • Local density of states is modified by deposited Nb islands. • We found a downward shift of the Dirac point, since niobium acts as a donor. • Nb grew in layer-by-layer growth mode up to an annealing temperature of 450 °C. • We applied a new cleaving method allowing for sample heating of flux-grown TI. - Abstract: While applying a new cleaving method, we investigated the growth of Nb on the three-dimensional (3D) topological insulator (TI) Bi{sub 2}Te{sub 1.95}Se{sub 1.05} by scanning tunneling microscopy and spectroscopy. After the deposition of nearly a full monolayer of Nb by high-energy electron-beam evaporation, we observed a downshift of the bands and the Dirac point on the TI surface, which is the result of an n-type doping of the TI by transition metal adatoms. Extra peaks in the spectroscopy results upon Nb deposition might indicate a Rashba-split of the bulk bands. Nb grew in small 10 nm wide islands upon sub-monolayer growth and in a layer-by-layer growth mode up to an annealing temperature of 450 °C.

  10. Quench behavior of Sr{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2}/Ag tapes with AC and DC transport currents at different temperature

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qi [Key Laboratory of Applied Superconductivity, Chinese Academy of Sciences, Beijing 100190 (China); Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Institute of Science, Information Engineering University, Zhengzhou 450001 (China); Zhang, Guomin, E-mail: gmzhang@mail.iee.ac.cn [Key Laboratory of Applied Superconductivity, Chinese Academy of Sciences, Beijing 100190 (China); Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190 (China); Yang, Hua [Institute of Science, Information Engineering University, Zhengzhou 450001 (China); Li, Zhenming; Liu, Wei [China Electric Power Research Institute, Beijing 100192 (China); Jing, Liwei [Key Laboratory of Applied Superconductivity, Chinese Academy of Sciences, Beijing 100190 (China); Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190 (China); Yu, Hui; Liu, Guole [Key Laboratory of Applied Superconductivity, Chinese Academy of Sciences, Beijing 100190 (China); Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China)

    2016-09-15

    Highlights: • Quench behavior of Sr{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2}/ Ag tape with AC transport current was reported for the first time. • The measurement are performed as a function of different temperature (20 K–30 K), transport current (AC and DC) and operating frequency (50 Hz–250 Hz). • The study is concentrated on the research of quench development, and the discussions of NZPV and MQE values. - Abstract: In applications, superconducting wires may carry AC or DC transport current. Thus, it is important to understand the behavior of normal zone propagation in conductors and magnets under different current conditions in order to develop an effective quench protection system. In this paper, quench behavior of Ag sheathed Sr{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} (Sr-122 in the family of iron-based superconductor) tapes with AC and DC transport current is reported. The measurements are performed as a function of different temperature (20 K–30 K), varying transport current and operating frequency (50 Hz–250 Hz). The focus of the research is the minimum quench energy (MQE), the normal zone propagation velocity (NZPV) and the comparison of the related results with AC and DC transport current.

  11. New polymers containing BF{sub 2}-benzoylacetonate groups. Synthesis, luminescence, excimer and exciplex formation

    Energy Technology Data Exchange (ETDEWEB)

    Fedorenko, Elena V., E-mail: gev@ich.dvo.ru [Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 159, Prosp. 100 letiya Vladivostoka, Vladivostok 690022 (Russian Federation); Mirochnik, Anatolii G.; Beloliptsev, Anton Yu. [Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 159, Prosp. 100 letiya Vladivostoka, Vladivostok 690022 (Russian Federation)

    2017-05-15

    In the present study, a new synthetic method for the functionalization of polystyrene (PS) and (styrene-methyl methacrylate) copolymer has been developed. Using the new method, polymers containing BF{sub 2}-benzoylacetonate groups have been obtained through double acylation by acetic anhydride with boron trifluoride. Luminescence of the produced polymers in solutions and films has been studied. Quantum yields of polymer solution luminescence are significantly higher than those of the low-molecular-weight analog – boron difluoride benzoylacetonate. For the polymer, in which styrene fragments are separated by methyl methacrylate groups, at low concentrations of the polymer in solution one observes the monomer luminescence of BF{sub 2}-benzoylacetonate groups, while at high concentrations – the excimer luminescence. In case of PS-based polymers, in which BF{sub 2}-benzoylacetonate groups and phenyl rings are not separated, in diluted solutions one observes the fluorescence of the intramolecular exciplexes, while at the concentration increase – the luminescence of intermolecular exciplexes. The ability of excimer formation is responsible for the increased photostability of the produced polymers. - Highlights: •Polymers containing BF{sub 2}-benzoylacetonate groups have been synthesized. •Luminescence of the produced polymers in solutions and films has been studied. •Formation of excimers and exciplexes in solution has been revealed. •Formation of excimers in films increases their photostability.

  12. On the Role of Computer Graphics in Engineering Design Graphics Courses.

    Science.gov (United States)

    Pleck, Michael H.

    The implementation of two- and three-dimensional computer graphics in a freshmen engineering design course at the university level is described. An assessment of the capabilities and limitations of computer graphics is made, along with a presentation of the fundamental role which computer graphics plays in engineering design instruction.…

  13. Intuitive Music and Graphic Notation

    DEFF Research Database (Denmark)

    Bergstrøm-Nielsen, Carl

    Describes subjects existing at Aalborg University since the middle eighties. "Intuitive Music" trains free improvisation through exercises including group-dynamic exercises, awareness exercises and parameter exercises. Students also create open compositions. "Graphic notation"concerns aural scores....... Students' works are quoted. The writer discusses the theoretical context and advocates for giving more attention to music as the medium in which music therapy takes place, referring to language theory and Jakobson. NB: the description of the two subjects are, at the present moment (2011) no longer up...... to date. Intuitive music stresses less making compositions and more using the main instrument intuitively. Graphic notation has been integrated into a larger subject (also taught by the present author) which also comprises other methods of description and interpretation of music....

  14. Intercorrelated Ag{sub 3}PO{sub 4} nanoparticles decorated with graphic carbon nitride: Enhanced stability and photocatalytic activities for water treatment

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Jia; Chai, Yuanyuan; Liu, Qianqian; Zhang, Lu; Dai, Wei-Lin, E-mail: wldai@fudan.edu.cn

    2017-05-01

    Highlights: • Ag{sub 3}PO{sub 4} nanoparticles decorated with graphite-like carbon nitride material (g-C{sub 3}N{sub 4}). • Synthesized by a template-free in situ precipitation method. • Excellent (7 times higher) photooxidation ability. • Much more stable than pure Ag{sub 3}PO{sub 4} in the photodegradation process. • Formation of heterojunction between Ag{sub 3}PO{sub 4} and g-C{sub 3}N{sub 4} contributed to the separation efficiency. - Abstract: The method of decorating Ag{sub 3}PO{sub 4} nanoparticles with carbon nitride material (g-C{sub 3}N{sub 4}) is demonstrated as an efficient pathway to remarkably improve the stability and photocatalytic performance of Ag{sub 3}PO{sub 4} nanoparticles which have been widely used in photocatalysis, but limited by the instability. The improved material herein results in the largely enhanced photocatalytic performance for water purification under visible light irradiation, which was nearly 7 times as high as that of pure Ag{sub 3}PO{sub 4}. Meanwhile, the as-obtained materials show the unique stable property, mainly contributed by the protection effect of decorated g-C{sub 3}N{sub 4} sheet. Additionally, the radical trapping experiments revealed that the introduction of g-C{sub 3}N{sub 4} transformed the photocatalytic mechanism to some degree, where ·O{sub 2}{sup −} played a more important role. The tremendous enhancement in catalytic performance may be attributed to the larger surface area, controllable particle size and the synergistic effect between Ag{sub 3}PO{sub 4} and g-C{sub 3}N{sub 4}, promoting the separation efficiency of the photogenerated electron-hole pairs. The decorating system can in principle be broadly put into use for unstable photocatalysts.

  15. Efficient conversion from UV light to near-IR emission in Yb{sup 3+}-doped triple-layered perovskite CaLaNb{sub 3}O{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yuting; Li, Yuze; Qin, Lin; Huang, Yanlin [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Qin, Chuanxiang, E-mail: qinchuanxiang@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Tsuboi, Taiju [Jiangsu-Singapore Joint Research Center for Organic/Bio-Electronics & Information Displays and Institute of Advanced Materials (IAM), Nanjing Tech University, Nanjing 211816 (China); Huang, Wei, E-mail: wei-huang@njtech.edu.cn [Jiangsu-Singapore Joint Research Center for Organic/Bio-Electronics & Information Displays and Institute of Advanced Materials (IAM), Nanjing Tech University, Nanjing 211816 (China)

    2015-04-15

    Graphical abstract: CaRNb{sub 3}O{sub 10} is a self-activated oxide due to charge transfer transition in octahedral NbO{sub 6} groups. CaLaNb{sub 3}O{sub 10}:Yb{sup 3+} presents intense IR emission due to the cooperative energy transfer from host (NbO{sub 6}) to Yb{sup 3+} is responsible. It could be expected to be potentially applicable for enhancing photovoltaic conversion efficiency of Si-based solar cells. - Abstract: Yb{sup 3+}-doped triple-layered perovskite CaLaNb{sub 3}O{sub 10} micro-particles were synthesized via the solid-state reaction method. The crystal structure and morphology of the polycrystalline samples were investigated by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) measurements, respectively. The reflectance spectra, photoluminescence (PL) excitation and emission spectra, the decay curves, and the absolute quantum efficiency (QE) of the near-infrared (NIR) emission (910–1100 nm) were measured. Under excitation of UV light, Yb{sup 3+}-doped perovskite shows an intense NIR emission attributed to the {sup 2}F{sub 5/2} → {sup 2}F{sub 7/2} transitions of Yb{sup 3+} ions, which could match maximum spectral response of a Si-based solar cell. This is beneficial for its possible application in an enhancement of the photovoltaic conversion efficiency of solar energy utilization. The efficient energy transfer in Yb{sup 3+}-doped CaLaNb{sub 3}O{sub 10} from NbO{sub 6} groups into Yb{sup 3+} ions was confirmed by the spectra and fluorescent decay measurements. Cooperative energy transfer (CET) was supposed to be the NIR emission mechanism.

  16. The PC graphics handbook

    CERN Document Server

    Sanchez, Julio

    2003-01-01

    Part I - Graphics Fundamentals PC GRAPHICS OVERVIEW History and Evolution Short History of PC Video PS/2 Video Systems SuperVGA Graphics Coprocessors and Accelerators Graphics Applications State-of-the-Art in PC Graphics 3D Application Programming Interfaces POLYGONAL MODELING Vector and Raster Data Coordinate Systems Modeling with Polygons IMAGE TRANSFORMATIONS Matrix-based Representations Matrix Arithmetic 3D Transformations PROGRAMMING MATRIX TRANSFORMATIONS Numeric Data in Matrix Form Array Processing PROJECTIONS AND RENDERING Perspective The Rendering Pipeline LIGHTING AND SHADING Lightin

  17. Motion compensation in digital subtraction angiography using graphics hardware.

    Science.gov (United States)

    Deuerling-Zheng, Yu; Lell, Michael; Galant, Adam; Hornegger, Joachim

    2006-07-01

    An inherent disadvantage of digital subtraction angiography (DSA) is its sensitivity to patient motion which causes artifacts in the subtraction images. These artifacts could often reduce the diagnostic value of this technique. Automated, fast and accurate motion compensation is therefore required. To cope with this requirement, we first examine a method explicitly designed to detect local motions in DSA. Then, we implement a motion compensation algorithm by means of block matching on modern graphics hardware. Both methods search for maximal local similarity by evaluating a histogram-based measure. In this context, we are the first who have mapped an optimizing search strategy on graphics hardware while paralleling block matching. Moreover, we provide an innovative method for creating histograms on graphics hardware with vertex texturing and frame buffer blending. It turns out that both methods can effectively correct the artifacts in most case, as the hardware implementation of block matching performs much faster: the displacements of two 1024 x 1024 images can be calculated at 3 frames/s with integer precision or 2 frames/s with sub-pixel precision. Preliminary clinical evaluation indicates that the computation with integer precision could already be sufficient.

  18. Insight into cation disorder of Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Bini, Marcella [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy); Ferrari, Stefania, E-mail: stefania.ferrari@unipv.it [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy); Capsoni, Doretta; Spreafico, Clelia; Tealdi, Cristina; Mustarelli, Piercarlo [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy)

    2013-04-15

    Transition metal lithium orthosilicates are promising cathode materials for lithium-ion batteries. Here we report a combined experimental (in situ X-ray diffraction) and computational (static lattice and molecular dynamics) study of the thermal behavior of the Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4} orthosilicate from room temperature to 950 °C. Our X-ray results showed that Pmnb polymorph is the most stable all over the explored temperature range. A significant cation disorder up to 80%, based on the anti-site defect, was found. The defect concentration depends on the synthesis route and temperature, and is completely reversible after the thermal treatments. Moreover, a careful analysis of the impurity phases allowed us to identify Li{sub 2}SiO{sub 3}, Fe{sub 3}O{sub 4} and Li{sub 3}Fe{sub 5}O{sub 8}, the last one never reported before. The minimization of defects by opportunely tuning the synthetic parameters would be of great importance in view of potential applications of these materials in lithium batteries. - Graphical abstract: A combined experimental in situ X-ray diffraction and computational study of the thermal behavior of the Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4} is reported herein. The anti-site defect does justify the diffraction patterns changes with temperature. Highlights: ► Study of the thermal behavior of Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4}. ► The anti-site defect does justify the diffraction patterns changes with temperature. ► The Pmnb polymorph is stable in the investigated temperaturerange.

  19. Enhanced photocatalytic activity of Bi{sub 2}O{sub 3}–Ag{sub 2}O hybrid photocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinjuan, E-mail: lxj669635@126.com [Institute of Coordination Bond Metrology and Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Liu, Junying [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai 200062 China (China); Chu, Haipeng [Institute of Coordination Bond Metrology and Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Li, Jinliang; Yu, Wei [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai 200062 China (China); Zhu, Guang [Anhui Key Laboratory of Spin Electron and Nanomaterials, Suzhou University, Suzhou 234000 (China); Niu, Lengyuan [Institute of Coordination Bond Metrology and Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Sun, Zhuo [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai 200062 China (China); Pan, Likun, E-mail: lkpan@phy.ecnu.edu.cn [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai 200062 China (China); Sun, Chang Q. [Institute of Coordination Bond Metrology and Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China)

    2015-08-30

    Graphical abstract: Bi{sub 2}O{sub 3}–Ag{sub 2}O composites were fabricated for visible light photocatalytic degradation of phenol with a high degradation rate of 92% for 60 min. - Highlights: • Bi{sub 2}O{sub 3}–Ag{sub 2}O composites were synthesized via a co-precipitation method. • The photocatalytic activity for the degradation of phenol is investigated. • A high degradation rate of 92% for 60 min is achieved under visible light irradiation. - Abstract: Bi{sub 2}O{sub 3}–Ag{sub 2}O hybrid photocatalysts were successfully synthesized via a co-precipitation method. The morphology, structure and photocatalytic performance in the degradation of phenol were characterized by using scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction, electrochemical impedance spectra and UV–vis absorption spectroscopy, respectively. The results show that Bi{sub 2}O{sub 3}–Ag{sub 2}O hybrid photocatalysts exhibit enhanced photocatalytic performance in the degradation of phenol with a maximum degradation rate of 92% for 60 min under visible light irradiation compared with pure Bi{sub 2}O{sub 3} (57%), which is ascribed to the increase in light adsorption and the reduction in electron–hole pair recombination with the introduction of Ag{sub 2}O.

  20. From Ba{sub 3}Ta{sub 5}O{sub 14}N to LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}: Decreasing the optical band gap of a photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Anke, B. [Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Bredow, T. [Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstr. 4, 53115 Bonn (Germany); Pilarski, M.; Wark, M. [Institut für Chemie, Carl von Ossietzky Universität Oldenburg, Carl-von-Ossietzky-Str. 9-11, 26129 Oldenburg (Germany); Lerch, M., E-mail: martin.lerch@tu-berlin.de [Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany)

    2017-02-15

    Yellow LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was successfully synthesized as phase-pure material crystallizing isostructurally to previously reported Ba{sub 3}Ta{sub 5}O{sub 14}N and mixed-valence Ba{sub 3}Ta{sup V}{sub 4}Ta{sup IV}O{sub 15}. The electronic structure of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was studied theoretically with the range-separated hybrid method HSE06. The most stable structure was obtained when lanthanum was placed on 2a and nitrogen on 4h sites confirming Pauling's second rule. By incorporating nitrogen, the measured band gap decreases from ∼3.8 eV for the oxide via 2.74 eV for Ba{sub 3}Ta{sub 5}O{sub 14}N to 2.63 eV for the new oxide nitride, giving rise to an absorption band well in the visible-light region. Calculated fundamental band gaps confirm the experimental trend. The atom-projected density of states has large contributions from N2p orbitals close to the valence band edge. These are responsible for the observed band gap reduction. Photocatalytic hydrogen formation was investigated and compared with that of Ba{sub 3}Ta{sub 5}O{sub 14}N revealing significantly higher activity for LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} under UV-light. - Graphical abstract: X-ray powder diffraction pattern of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} with the results of the Rietveld refinements. Inset: Unit cell of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} and polyhedral representation of the crystal structure. - Highlights: • Synthesis of a new oxide nitride LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}. • Refinement of the crystal structure. • Quantum chemical calculations provided band gap close to the measured value. • New phase shows a higher photocatalytic H{sub 2} evolution rate compared to prior tested Ba{sub 3}Ta{sub 5}O{sub 14}N.

  1. Fe{sub 3}O{sub 4}/PS magnetic nanoparticles: Synthesis, characterization and their application as sorbents of oil from waste water

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Liuhua; Hao, Gazi; Gu, Junjun; Zhou, Shuai; Zhang, Ning; Jiang, Wei, E-mail: superfine_jw@126.com

    2015-11-15

    In this work, Fe{sub 3}O{sub 4}/PS composites with a rough surface and different coating rates were successfully designed and synthesized by emulsion polymerization. We carried out some comparative experiments to compare magnetic properties and oil absorption properties of the nano-magnetic materials. It had been found that several prepared groups of magnetic nanocomposites have a core–shell structure and good coating rates. These nanoparticles combined with unsinked, highly hydrophobic and superoleophilic properties. The absorption capacity of Fe{sub 3}O{sub 4}/PS composites for organic solvents and the composites could absorb diesel oil up to 2.492 times of its own weight. It is more important that the oil could be readily removed from the surfaces of nanoparticles by a simple ultrasonic treatment whereas the nanocomposites particles still kept highly hydrophobic and superoleophilic characteristics. With a combination of simple synthesis process, low density, magnetic responsibility and excellent hydrophobicity, Fe{sub 3}O{sub 4}/PS nanocomposites as a promising absorbent have great potential in the application of spilled oil recovery and environmental protection. - Graphical abstract: In this article, Fe{sub 3}O{sub 4}/PS nanoparticles present a property called selective adsorption. When the nanocomposites are added into watchglass with a layer diesel oil dyed by Sudan red for clarity on a water surface, oil is quickly absorbed in few seconds and then keeps a balance of adsorption. Owing to the presence of Fe{sub 3}O{sub 4} nanoparticles, the nanocomposites could be collected to the oil-polluted region by a magnet bar. The particles can dissolve in ethanol by ultrasonic washing. After that we can regenerate the magnetic composite materials through filtering, washing and drying, the process is showed in the following Figure. Adsorption and desorption of Fe{sub 3}O{sub 4}/PS nanoparticles. - Highlights: • We prepared Fe{sub 3}O{sub 4}/PS nanocomposites with

  2. Crystal structure and thermal expansion of a CsCe{sub 2}Cl{sub 7} scintillator

    Energy Technology Data Exchange (ETDEWEB)

    Zhuravleva, M., E-mail: mzhuravl@utk.edu [Scintillation Materials Research Center, University of Tennessee, Knoxville, TN (United States); Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN (United States); Lindsey, A. [Scintillation Materials Research Center, University of Tennessee, Knoxville, TN (United States); Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN (United States); Chakoumakos, B.C. [Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN 37996 (United States); Custelcean, R. [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Meilleur, F. [Biology and Soft Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Hughes, R.W.; Kriven, W.M. [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL (United States); Melcher, C.L. [Scintillation Materials Research Center, University of Tennessee, Knoxville, TN (United States); Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN (United States)

    2015-07-15

    We used single-crystal X-ray diffraction data to determine crystal structure of CsCe{sub 2}Cl{sub 7}. It crystallizes in a P112{sub 1}/b space group with a=19.352(1) Å, b=19.352(1) Å, c=14.838(1) Å, γ=119.87(2)°, and V=4818.6(5) Å{sup 3}. Differential scanning calorimetry measurements combined with the structural evolution of CsCe{sub 2}Cl{sub 7} via X-ray diffractometry over a temperature range from room temperature to the melting point indicates no obvious intermediate solid–solid phase transitions. The anisotropy in the average linear coefficient of thermal expansion of the a axis (21.3×10{sup –6}/°C) with respect to the b and c axes (27.0×10{sup –6}/°C) was determined through lattice parameter refinement of the temperature dependent diffraction patterns. These findings suggest that the reported cracking behavior during melt growth of CsCe{sub 2}Cl{sub 7} bulk crystals using conventional Bridgman and Czochralski techniques may be largely attributed to the anisotropy in thermal expansion. - Graphical abstract: Three-dimensional quadric surface of thermal expansion coefficient of CsCe{sub 2}Cl{sub 7} at room temperature (sphere – isotropic) and near melting point (ellipsoid – anisotropic). - Highlights: • Crystal structure of CsCe{sub 2}Cl{sub 7} was solved through X-ray diffraction. • Linear coefficients of thermal expansion were determined from in-situ XRD in 25–650 °C. • Anisotropy of the a axis with respect to b and c axes (21.3 vs 27.0×10{sup –6}/°C) was found. • No solid–solid phase transitions were observed via XRD and thermal analysis.

  3. Synthesis and characterization of the lead borate Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Schoenegger, Sandra; Ortner, Teresa S.; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2016-11-01

    A lead borate with the composition Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} was synthesized through a hydrothermal synthesis, using lead metaborate in combination with sodium nitrate and potassium nitrate. The compound crystallizes in the trigonal, non-centrosymmetric space group P3{sub 2} (no. 145) with the lattice parameters a = 1176.0(4), c = 1333.0(4) pm, and V = 0.1596(2) nm{sup 3}. Interestingly, the data of Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} correct the structure of a literature known lead borate with the composition ''Pb{sub 6}B{sub 11}O{sub 18}(OH){sub 9}''. For the latter compound, nearly identical lattice parameters of a = 1176.91(7) and c = 1333.62(12) pm were reported, possessing a crystal structure, in which the localization and refinement of one boron atom was obviously overlooked. The structure of Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} is built up from trigonal planar BO{sub 3} and tetrahedral BO{sub 4} groups forming complex chains. The Pb{sup 2+} cations are located between neighboring polyborate chains. The here reported compound Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} and ''Pb{sub 6}B{sub 11}O{sub 18}(OH){sub 9}'' were, however, produced under different synthesis conditions. While ''Pb{sub 6}B{sub 11}O{sub 18}(OH){sub 9}'' was synthesized via a hydrothermal synthesis including ethylenediamine and acetic acid, the here reported lead borate Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} could be obtained under moderate hydrothermal conditions (240 C) without the addition of organic reagents.

  4. Insight into the effects of different ageing protocols on Rh/Al{sub 2}O{sub 3} catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Baohuai [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, 100084 Beijing (China); Ran, Rui, E-mail: ranr@tsinghua.edu.cn [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, 100084 Beijing (China); Cao, Yidan; Wu, Xiaodong; Weng, Duan [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, 100084 Beijing (China); Fan, Jun [The Administrative Center for China' s Agenda 21, 100038 Beijing (China); Wu, Xueyuan [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, 100084 Beijing (China)

    2014-07-01

    In this work, a catalyst of Rh loaded on Al{sub 2}O{sub 3} was prepared by impregnating method with rhodium nitrate aqueous solution as the Rh precursor. The catalyst was aged under different protocols (lean, rich, inert and cyclic) to obtain several aged samples. All the Rh/Al{sub 2}O{sub 3} samples were characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) method, CO-chemisorption, H{sub 2}-temperature programmed reduction (H{sub 2}-TPR), transmission electron microscope (TEM) and X-ray photoelectron spectroscopy (XPS). It was found that a specific ageing treatment could strongly affect the catalytic activity. The N{sub 2} aged and the H{sub 2} aged samples had a better catalytic activity for CO + NO reaction than the fresh sample while the air aged and the cyclic aged samples exhibited much worse activity. More surface Rh content and better reducibility were obtained in the N{sub 2} and the H{sub 2} aged samples and the Rh particles existed with an appropriate size, which were all favorable to the catalytic reaction. However, the air and the cyclic ageing protocols induced a strong interaction between Rh species and the Al{sub 2}O{sub 3} support, which resulted in a severe sintering of particles of Rh species and the loss of active sites. The structure evolution scheme of the catalysts aged in different protocols was also established in this paper.

  5. Thermoelectric properties of p-type Ag{sub 1−x}(Pb{sub 1−y}Sn{sub y}){sub m}Sb{sub 1−z}Te{sub m+2}

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Kyunghan [Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States); Center for Nanoparticle Research, Institute for Basic Science, (IBS), Seoul 151-742 (Korea, Republic of); Kong, Huijun; Uher, Ctirad [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Kanatzidis, Mercouri G., E-mail: m-kanatzidis@northwestern.edu [Department of Chemistry, Northwestern University, Evanston, IL 60208 (United States)

    2016-10-15

    The thermoelectric properties of Ag{sub 1−x}(Pb{sub 1−y}Sn{sub y}){sub m}Sb{sub 1−z}Te{sub m+2} (4≤m≤16, −0.1≤x≤0.3, 1/3≤y≤2/3, 0.2≤z≤0.4; Lead Antimony Silver Tellurium Tin, LASTT-m) compositions were investigated in the temperature range of 300 to ~670 K. All samples crystallize in the average NaCl-type structure without any noticeable second phase and exhibit very narrow bandgaps of <0.1 eV. We studied a range of m values, silver concentrations (x), Pb/Sn ratios (y), and antimony concentrations (z) to determine their effects on the thermoelectric properties. The samples were investigated as melt grown polycrystalline ingots. Varying the Ag contents, the Pb/Sn ratios, and the Sb contents off-stoichiometry allowed us to control the electrical conductivity, the Seebeck coefficient, and the thermal conductivity. The electrical conductivity tends to decrease with decreasing m values. The highest ZT of ~1.1 was achieved at ~660 K for Ag{sub 0.9}Pb{sub 5}Sn{sub 5}Sb{sub 0.8}Te{sub 12} mainly due to the very low lattice thermal conductivity of ~0.4 W/(m K) around 660 K. Also, samples with charge-balanced stoichiometries, Ag(Pb{sub 1−y}Sn{sub y}){sub m}SbTe{sub m+2}, were studied and found to exhibit a lower power factor and higher lattice thermal conductivity than the Ag{sub 1−x}(Pb{sub 1−y}Sn{sub y}){sub m}Sb{sub 1−z}Te{sub m+2} compositions. - Graphical abstract: The Ag{sub 1−x}(Pb{sub 1−y}Sn{sub y}){sub m}Sb{sub 1−z}Te{sub m+2} system defines a complex and flexible class of tunable thermoelectric class of materials with high performance.

  6. Rietveld refinement and dielectric properties of (Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})-(Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3}) ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Kaswan, Kavita, E-mail: kaswan.kavita@gmail.com; Agarwal, Ashish; Sanghi, Sujata; Singh, Ompal [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar-125001 (India)

    2015-06-24

    (1-x)(Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})-x(Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3}) lead free ceramics (NBT, NBT-BBFO; x = 0.0, 0.1 respectively) have been synthesized by conventional solid state reaction method. Crystalline phase of sintered ceramics was investigated at room temperature using X-ray diffraction. Rietveld refinement of XRD data performed by FullProf revealed that both the samples exhibited rhombohedral structure with R3c space group. Dielectric properties of these ceramics were studied at different temperatures in a wide frequency range using impedance analyzer. Dielectric constant and dielectric loss were found to be increase with increase of BBFO content. The prepared ceramics exhibit a broad maximum in dielectric permittivity at 593K and dispersive permittivity at high temperatures. The NBT-BBFO sample shows a relaxor ferroelectric behavior at different frequencies.

  7. Electronic structure and vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Adichtchev, S.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Bazarov, B.G.; Bazarova, Zh.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Gavrilova, T.A. [Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Grossman, V.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, Novosibirsk, 630090 (Russian Federation); Meng, G.S. [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Key Laboratory of Quantum Information, University of Science and Technology of China, Chinese Academy of Sciences, Hefei, Anhui 230026 (China); Lin, Z.S., E-mail: zslin@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Surovtsev, N.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2013-03-15

    Graphical abstract: With the KRbAl{sub 2}B{sub 2}O{sub 7} powder formed by solid state synthesis (left), Raman spectrum (right upper) and XPS valence electronic states (right lower) were measured, agreed with the first-principles results. Highlights: ► KRbAl{sub 2}B{sub 2}O{sub 7} powder was obtained by solid state synthesis. ► Vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7} were determined by unpolarized Raman spectrum. ► Electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} were measured by XPS. ► Experimental electronic structure is consistent with the first-principles result. ► KRbAl{sub 2}B{sub 2}O{sub 7} has a noticeable refractive indices increase and small NLO effects decrease compared to K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. - Abstract: The physical properties of KRbAl{sub 2}B{sub 2}O{sub 7} have been considered in comparison with those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7} and Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The vibrational parameters of KRbAl{sub 2}B{sub 2}O{sub 7} have been measured by Raman spectroscopy as very similar to those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} have been evaluated by X-ray photoelectron spectroscopy and ab initio computations using CASTEP package. A noticeable refractive indices increase and small decrease of nonlinear optical properties have been found in KRbAl{sub 2}B{sub 2}O{sub 7} in reference to optical parameters of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}.

  8. New compounds bearing [M(S{sub 2}O{sub 7}){sub 3}]{sup 2-} anions (M = Si, Ge, Sn): Syntheses and characterization of A{sub 2}[Si(S{sub 2}O{sub 7}){sub 3}] (A = Na, K, Rb), A{sub 2}[Ge(S{sub 2}O{sub 7}){sub 3}] (A = Li, Na, K, Rb, Cs), A{sub 2}[Sn(S{sub 2}O{sub 7}){sub 3}] (A = Na, K), and the unique germanate Hg{sub 2}[Ge(S{sub 2}O{sub 7}){sub 3}]Cl{sub 2} with cationic {sup 1}{sub ∞}[HgCl{sub 2/2}]{sup +} chains

    Energy Technology Data Exchange (ETDEWEB)

    Logemann, Christian; Witt, Julia; Wickleder, Mathias S. [Universitaet Oldenburg, Institut fuer Reine und Angewandte Chemie (Germany); Gunzelmann, Daniel; Senker, Juergen [Universitaet Bayreuth, Lehrstuhl fuer Anorganische Chemie III (Germany)

    2012-10-15

    The reaction of the group 14 tetrachlorides MCl{sub 4} (M = Si, Ge, Sn) with oleum (65 % SO{sub 3}) at elevated temperatures led to the unique anionic complexes [M(S{sub 2}O{sub 7}){sub 3}]{sup 2-} that show the central M atoms in coordination of three chelating S{sub 2}O{sub 7}{sup 2-} groups. The mean distances M-O within the complexes increase from 175 pm (M = Si) via 186 pm (M = Ge) up to 200 pm (M = Sn). The charge balance for the [M(S{sub 2}O{sub 7}){sub 3}]{sup 2-} anions is achieved by alkaline metal ions A{sup +} (A = Li, Na, K, Rb, Cs) which were implemented in the syntheses in form of their sulfates. The size of the A{sup +} ions, i.e. their coordination requirement causes the crystallographic differences in the crystal structures, while the structure of the complex [M(S{sub 2}O{sub 7}){sub 3}]{sup 2-} anions remains essentially unaffected. Furthermore, we were able to characterize the unique germanate Hg{sub 2}[Ge(S{sub 2}O{sub 7}){sub 3}]Cl{sub 2} which forms when HgCl{sub 2} is added as a source for the counter cation. The Hg{sup 2+} and the Cl{sup -} ions form infinite cationic chains according to {sup 1}{sub ∞}[HgCl{sub 2/2}]{sup +} which take care for the charge compensation. For selected examples of the compounds the thermal behavior has been monitored by means of thermal analyses and X-ray powder diffraction. For A being an alkaline metal the decomposition product is a mixture of the sulfates A{sub 2}SO{sub 4} and the dioxides MO{sub 2}, whereas Hg{sub 2}[Ge(S{sub 2}O{sub 7}){sub 3}]Cl{sub 2} shows a more complicated decomposition. The tris-(disulfato)-silicate Na{sub 2}[Si(S{sub 2}O{sub 7}){sub 3}] has additionally been examined by solid state {sup 29}Si and {sup 23}Na NMR spectroscopic measurements. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. The stress, surface spin and dipolar interaction in the diluted NiFe{sub 2}O{sub 4} nanoparticles by the SiO{sub 2} matrix: Characterization and analyses

    Energy Technology Data Exchange (ETDEWEB)

    Sun, X.; Ma, Y.Q., E-mail: yqma@ahu.edu.cn; Xu, S.T.; Xu, Y.F.; Geng, B.Q.

    2015-09-15

    Well-dispersed uniform NiFe{sub 2}O{sub 4} nanoparticles (NPs) with an average particle size of 15.4 nm were synthesized by thermal decomposition of a metal–organic salt, and then were diluted in a SiO{sub 2} matrix via a sol–gel method with different concentration. The magnetization (M) dependence of NiFe{sub 2}O{sub 4}/SiO{sub 2} on the temperature (T) and on the applied magnetic field (H) was systematically characterized by the Quantum Design superconducting quantum interference device (SQUID) PPMS system. The results of M ~ H/T divide the magnetic properties between 10 K and 300 K into two regions: the low temperature blocked-particle regime below the blocking temperature T{sub B} and the interacting superparamagnetic (ISP) regime above T{sub B}. In the ISP regime, all samples deviate from the ideal Langevin superparamagnetic behavior due to the effective anisotropy induced by the stress, surface spins and interparticle dipolar interaction. The Raman spectra indicate that the stress in all samples exhibits the vibration behavior, which leads to the effective anisotropy and hence coercivity vibration. - Graphical abstract: Display Omitted - Highlights: • Increase of NiFe{sub 2}O{sub 4} NPs' concentration elevates T{sub B} and broadens ZFC peak. • NiFe{sub 2}O{sub 4}/SiO{sub 2} samples do not exhibit the ideal superparamagnetism above T{sub B}. • Stress leads to the effective anisotropy and hence H{sub c} vibration. • Stress vibration was characterized in detail by the Raman spectra.

  10. Magneto-transport properties of La{sub 0.75}Ca{sub 0.15}Sr{sub 0.1}MnO{sub 3} with YBa{sub 2}Cu{sub 3}O{sub 7–δ} addition

    Energy Technology Data Exchange (ETDEWEB)

    Zghal, E. [Laboratoire de Physique des Matériaux, Université de Sfax, Faculté des Sciences de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Koubaa, M., E-mail: mohamedkoubaa@yahoo.fr [Laboratoire de Physique des Matériaux, Université de Sfax, Faculté des Sciences de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Berthet, P. [Institut de Chimie Moléculaire et Matériaux d’Orsay, Bâtiment 410 Université Paris-Sud XI, 15 rue Georges Clémenceau, 91405 Orsay Cedex (France); Sicard, L. [ITODYS, Université Paris Diderot, CNRS UMR 7086, 15 rue Jean Antoine de Baïf, 75205 Paris (France); Cheikhrouhou-Koubaa, W. [Laboratoire de Physique des Matériaux, Université de Sfax, Faculté des Sciences de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Decorse-Pascanut, C. [Institut de Chimie Moléculaire et Matériaux d’Orsay, Bâtiment 410 Université Paris-Sud XI, 15 rue Georges Clémenceau, 91405 Orsay Cedex (France); Cheikhrouhou, A. [Laboratoire de Physique des Matériaux, Université de Sfax, Faculté des Sciences de Sfax, B. P. 1171, 3000 Sfax (Tunisia); and others

    2016-09-15

    We report the structural, magnetic, electrical and magentoresistance properties of (La{sub 0.75}Ca{sub 0.15}Sr{sub 0.1}MnO{sub 3}){sub 1−x}(YBa{sub 2}Cu{sub 3}O{sub 7−δ}){sub x} (with x=0, 0.025, 0.05, 0.075, 0.1, 0.2, and 0.3) composites synthesized through sol–gel method. The powder X-ray diffraction patterns indicate no evidence of reaction between La{sub 0.75}Ca{sub 0.15}Sr{sub 0.1}MnO{sub 3} (LCSMO) and YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO). The addition of YBCO induces a reduction of the total magnetization while the Curie temperature remains almost constant (∼312 K). The behavior of the electrical resistivity evolves differently depending on the doping level. Above the paramagnetic–insulating transition temperature the resistivity data were best-fitted by using the adiabatic small polaron and variable range hopping models. Ferromagnetic–metallic regime in the composites seems to emanate from the electron–phonon or/and electron–magnon scattering processes. With increasing the YBCO doping content (until x=0.1), the positive magnetoresistance (MR) of YBCO phase dominates the negative MR of LCSMO one, which gives rise to the decreasing of MR of the composites. - Highlights: • LCSMO compound possess an orthorhombic-distorted structure (Pbnm space group). • YBCO crystallizes in orthorhombic structure (Pmmm space group). • Resistivity increases with increasing YBCO content in LCSMO/YBCO composites. • A detailed analysis of the transport mechanisms. • Coexistence of positive and negative MR in the composites.

  11. Hexagonal perovskites with cationic vacancies. 33. Compounds of type Ba/sub 6-x/Sr/sub x/B/sub 2-y//sup 3 +/SE/sub y//sup 3 +/W/sub 3/vacantO/sub 18/

    Energy Technology Data Exchange (ETDEWEB)

    Lindner, I; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1982-12-01

    In the series Ba/sub 6-x/Sr/sub x/Lu/sub 2-y/SE/sub y//sup 3 +/W/sub 3/vacantO/sub 18/ a substitution of Sr/sup 2 +/ for Ba/sup 2 +/ is possible. According to intensity calculations on powder data of BaSr/sub 5/Lu/sub 1.6/Ho/sub 0.4/W/sub 3/vacantO/sub 18/ the compounds crystallize in a rhombohedral 18 L type with the sequence (hhccc)/sub 3/; space group R-3m. The refined, intensity related R' value is 11.5%. The differences in properties (diffuse reflectance spectra, photoluminescence) between the hexagonal modifications Ba/sub 6/B/sub 2-y//sup 3 +/SE/sub y//sup 3 +/W/sub 3/vacantO/sub 18/ (B/sup 3 +/ = Gd, Y, Lu; SE/sup 3 +/ = Sm, Eu, Tb, Dy, Ho, Er, Tm) and the corresponding cubic HT modifications are discussed.

  12. Investigation of the hydrothermal crystallisation of the perovskite solid solution NaCe{sub 1−x}La{sub x}Ti{sub 2}O{sub 6} and its defect chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Harunsani, Mohammad H. [Department of Chemistry, University of Warwick, Coventry CV4 7AL (United Kingdom); Woodward, David I. [Department of Physics, University of Warwick, Coventry CV4 7Al (United Kingdom); Peel, Martin D.; Ashbrook, Sharon E. [School of Chemistry, and EaStCHEM University of St. Andrews, North Haugh, St. Andrews, KY16 9ST (United Kingdom); Walton, Richard I., E-mail: r.i.walton@warwick.ac.uk [Department of Chemistry, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2013-11-15

    Perovskites of nominal composition NaCe{sub 1−x}La{sub x}Ti{sub 2}O{sub 6} (0≤x≤1) crystallise directly under hydrothermal conditions at 240 °C. Raman spectroscopy shows distortion from the ideal cubic structure and Rietveld analysis of powder X-ray and neutron diffraction reveals that the materials represent a continuous series in rhombohedral space group R3-bar c. Ce L{sub III}-edge X-ray absorption near edge structure spectroscopy shows that while the majority of cerium is present as Ce{sup 3+} there is evidence for Ce{sup 4+}. The paramagnetic Ce{sup 3+} affects the chemical shift and line width of {sup 23}Na MAS NMR spectra, which also show with no evidence for A-site ordering. {sup 2}H MAS NMR of samples prepared in D{sub 2}O shows the inclusion of deuterium, which IR spectroscopy shows is most likely to be as D{sub 2}O. The deuterium content is highest for the cerium-rich materials, consistent with oxidation of some cerium to Ce{sup 4+} to provide charge balance of A-site water. - Graphical abstract: A multi-element A-site perovskite crystallises directly from aqueous, basic solutions at 240 °C; while the paramagnetic effect of Ce{sup 3+} on the {sup 23}Na NMR shows a homogeneous solid-solution, the incorporation of A-site water is also found from {sup 2}H NMR and IR, with oxidation of some cerium to charge balance proved by XANES spectroscopy. Display Omitted - Highlights: • Direct hydrothermal synthesis allows crystallisation of a perovskite solid-solution. • XANES spectroscopy shows some oxidation of Ce{sup 3+} to Ce{sup 4+}. • The paramagnetism of Ce{sup 3+} shifts and broadens the {sup 23}Na solid-state NMR. • The perovskite materials incorporate water as an A-site defect.

  13. The Graphical User Interface: Crisis, Danger, and Opportunity.

    Science.gov (United States)

    Boyd, L. H.; And Others

    1990-01-01

    This article describes differences between the graphical user interface and traditional character-based interface systems, identifies potential problems posed by graphic computing environments for blind computer users, and describes some programs and strategies that are being developed to provide access to those environments. (Author/JDD)

  14. Mutual passivation of group IV donors and isovalent nitrogen in diluted GaN{sub x}As{sub 1-x} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Yu, K.M.; Wu, J.; Walukiewicz, W.; Shan, W.; Beeman, J.; Mars, D.E.; Chamberlin, D.R.; Scarpulla, M.A.; Dubon, O.D.; Ridgway, M.C.; Geisz, J.F.

    2003-07-23

    We demonstrate the mutual passivation of electrically active group IV donors and isovalent N atoms in the GaN{sub x}As{sub 1-x} alloy system. This phenomenon occurs through the formation of a donor-nitrogen bond in the nearest neighbor IV{sub Ga}-N{sub As} pairs. In Si doped GaInN{sub 0.017}As{sub 0.983} the electron concentration starts to decrease rapidly at an annealing temperature of 700 C from {approx} 3 x 10{sup 19}cm{sup -3} in the as-grown state to less than 10{sup 16}cm{sup -3} after an annealing at 900 C for 10 s. At the same time annealing of this sample at 950 C increases the gap by about 35 meV, corresponding to a reduction of the concentration of the active N atoms by an amount very close to the total Si concentration. We also show that the formation of Si{sub Ga}-N{sub As} pairs is controlled by the diffusion of Si via Ga vacancies to the nearest N{sub As} site. The general nature of this mutual passivation effect is confirmed by our study of Ge doped GaN{sub x}As{sub 1-x} layers formed by N and Ge co-implantation in GaAs followed by pulsed laser melting.

  15. Neutron powder diffraction analysis of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Martinelli, A., E-mail: alberto.martinelli@spin.cnr.it [SPIN-CNR, C.so Perrone 24, 16152 Genova (Italy); Ferretti, M. [SPIN-CNR, C.so Perrone 24, 16152 Genova (Italy); Universita degli Studi di Genova, Dipartimento di Chimica e Chimica Industriale, Via Dodecaneso 31, 16146 Genova (Italy); Cimberle, M.R. [IMEM-CNR, Via Dodecaneso 33, 16146, Genova (Italy); Ritter, C. [Institute Laue-Langevin, 6 rue Jules Horowitz, 38042 Grenoble Cedex 9 (France)

    2012-12-15

    The crystal and magnetic structures of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3} have been investigated between 5 K and 300 K by means of high resolution neutron powder diffraction followed by Rietveld refinement and dc magnetic measurements. During cooling orbital ordering at the Mn sub-lattice takes place at T{sub OO}{approx}280 K in both compounds, inducing an orthorhombic to monoclinic phase transition. As the temperature is further decreased an antiferromagnetic CE-type structure occurs in both compounds at T{sub N}{approx}105 K. The comparison with other (Ln{sub 0.50}Ca{sub 0.50})MnO{sub 3} compounds reveals that at room temperature the average Jahn-Teller distortion increases sharply with the decrease of the ionic radius for lanthanides heavier than Sm. The ordered magnetic moment progressively decreases as the lanthanide ionic radius decreases on account of the decreased values of the Mn-O-Mn bond angles. - Graphical abstract: Rietveld refinement plot for (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} obtained from neutron powder diffraction data collected at 5 K; the inset shows the CE-type spin ordering taking place at the Mn sub-lattice. Highlights: Black-Right-Pointing-Pointer The crystal and magnetic structures of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3} were analyzed by neutron powder diffraction. Black-Right-Pointing-Pointer Orbital ordering takes place below T{sub OO}{approx}280 K in both compounds. Black-Right-Pointing-Pointer An antiferromagnetic CE-type structure occurs in both compounds below T{sub N}{approx}105 K. Black-Right-Pointing-Pointer A Comparison with other (Ln{sub 0.50}Ca{sub 0.50})MnO{sub 3} compounds is reported.

  16. ElectroEncephaloGraphics: Making waves in computer graphics research.

    Science.gov (United States)

    Mustafa, Maryam; Magnor, Marcus

    2014-01-01

    Electroencephalography (EEG) is a novel modality for investigating perceptual graphics problems. Until recently, EEG has predominantly been used for clinical diagnosis, in psychology, and by the brain-computer-interface community. Researchers are extending it to help understand the perception of visual output from graphics applications and to create approaches based on direct neural feedback. Researchers have applied EEG to graphics to determine perceived image and video quality by detecting typical rendering artifacts, to evaluate visualization effectiveness by calculating the cognitive load, and to automatically optimize rendering parameters for images and videos on the basis of implicit neural feedback.

  17. Synergic effect of the TiO{sub 2}-CeO{sub 2} nanoconjugate system on the band-gap for visible light photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Contreras-García, M.E. [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); García-Benjume, M. Lorena, E-mail: lbenjume@yahoo.com [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); Macías-Andrés, Víctor I. [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); Barajas-Ledesma, E. [Universidad de La Ciénega del Estado de Michoacán de Ocampo, Avenida Universidad 3000, C.P. 59000, Sahuayo, Michoacán (Mexico); Medina-Flores, A. [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); Espitia-Cabrera, M.I. [Facultad de Ingeniería Química, edificio “M”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico)

    2014-04-01

    Graphical abstract: - Highlights: • Nanostructured TiO{sub 2}-CeO{sub 2} films are successfully synthesized by combining of sputtering and electrophoresis methods. • Synergic effect of CeO{sub 2} on TiO{sub 2} band gap was demonstrated, CeO{sub 2} diminishes it from 3.125 to 2.74. • Morphologic characterization of the nanoconjugate TiO{sub 2}-CeO{sub 2} films by different microscopy techniques. - Abstract: The TiO{sub 2}-CeO{sub 2} photocatalytic system in films is proposed here, in order to obtain photocatalytic systems that can be excited by solar light. The films were obtained through the electrophoretic deposition (EPD) of TiO{sub 2}-CeO{sub 2} gel on sputtered Ti Corning glass substrates. The synergic effect of CeO{sub 2} in TiO{sub 2} films was analyzed as a function of the optical band gap reduction at different concentrations (1, 5, 10, and 15 mol%). The effect of two thermal treatments was also evaluated. The lowest band gap value was obtained for the sample with 5 mol% ceria that was thermally treated at 700 °C. The nanostructured films were characterized by Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high angle annular dark field (HAADF), high resolution transmission electron microscopy (HRTEM), and atomic force microscopy (AFM). The nanocomposites were formed by TiO{sub 2} and CeO{sub 2} nanoparticles in the anatase and fluorite type phases, respectively.

  18. The electrochemical behavior of Co(TPTZ){sub 2} complex on different carbon based electrodes modified with TiO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ortaboy, Sinem, E-mail: ortaboy@istanbul.edu.tr; Atun, Gülten, E-mail: gatun@istanbul.edu.tr

    2015-04-15

    Electrochemical behavior of cobalt (II) complex with the N-donor ligand 2,2′-bipyridyl-1,3,5-tripyridyl-s-triazine (TPTZ) was investigated to elucidate the electron-proton transfer mechanisms. The electrochemical response of the complex was studied using square-wave voltammetry (SWV) and electrochemical impedance spectroscopy (EIS) techniques. A conventional three-electrode system, consisting of glassy carbon (GCE), TiO{sub 2} modified glassy carbon (T/GCE), carbon paste (CPE) and TiO{sub 2} modified carbon paste (T/CPE) working electrodes were employed. The ligand/metal ratio and stability constant of the complex as well as the mechanisms of the electrode processes were elucidated by examining the effects of pH, ligand concentration and frequency on the voltammograms. The EIS results indicated that the samples modified with TiO{sub 2} had the higher charge transfer resistance than that of the bare electrodes and also suggested that the electroactivity of the electrode surfaces increased in the following order, T/CPE > CPE > T/GCE > GCE. The surface morphology of the working electrodes was also characterized by atomic force microscopy (AFM). The values of surface roughness parameters were found to be consistent with the results obtained by EIS experiments. - Graphical abstract: Schematic illustration of the experimental process. - Highlights: • Electrochemical behavior of Co(TPTZ){sub 2} complex studied by SWV and EIS techniques. • GCE, CPE T/GCE and T/CPE were used as working electrodes for comparative studies. • The surface morphologies of the electrodes were characterized by AFM. • Mechanisms were proposed from the effects of pH, ligand concentration and frequency. • EIS and morphologic relationships of the surfaces were established successfully.

  19. Structural, electronic and magnetic properties of the series of double perovskites (Ca,Sr){sub 2−x}La{sub x}FeIrO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Bufaiçal, L., E-mail: lbufaical@ufg.br [Instituto de Física, Universidade Federal de Goiás, 74001-970 Goiânia, GO (Brazil); Adriano, C. [Instituto de Física “Gleb Wataghin”, UNICAMP, 13083-859 Campinas, SP (Brazil); Lora-Serrano, R. [Instituto de Física, Universidade Federal de Uberlândia, 38400-902 Uberlândia, MG (Brazil); Duque, J.G.S. [Núcleo de Física, Universidade Federal de Sergipe, Campus Itabaiana, 49500-000 Itabaiana, SE (Brazil); Mendonça-Ferreira, L. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-170 Santo André, SP (Brazil); Rojas-Ayala, C.; Baggio-Saitovitch, E.; Bittar, E.M. [Centro Brasileiro de Pesquisas Físicas, 22290-180 Rio de Janeiro, RJ (Brazil); Pagliuso, P.G. [Instituto de Física “Gleb Wataghin”, UNICAMP, 13083-859 Campinas, SP (Brazil)

    2014-04-01

    Polycrystalline samples of the series of double perovskites Sr{sub 2−x}La{sub x}FeIrO{sub 6} were synthesized. Their structural, electronic and magnetic properties were investigated by X-ray powder diffraction, Mössbauer spectroscopy, magnetic susceptibility, heat capacity and electrical resistivity experiments. The compounds crystallize in a monoclinic structure and were fitted in space group P2{sub 1}/n, with a significant degree of Fe/Ir cationic disorder. As in Ca{sub 2−x}La{sub x}FeIrO{sub 6} the Sr-based system seems to evolve from an antiferromagnetic ground state for the end members (x=0.0 and x=2.0) to a ferrimagnetic order in the intermediate regions (x∼1). Since Mössbauer spectra indicate that Fe valence remains 3+ with doping, this tendency of change in the nature of the microscopic interaction could be attributed to Ir valence changes, induced by La{sup 3+} electrical doping. Upon comparing both Ca and Sr series, Sr{sub 2−x}La{sub x}FeIrO{sub 6} is more structurally homogenous and presents higher magnetization and transition temperatures. Magnetic susceptibility measurements at high temperatures on Sr{sub 1.2}La{sub 0.8}FeIrO{sub 6} indicate a very high ferrimagnetic Curie temperature T{sub C}∼700K. For the Sr{sub 2}FeIrO{sub 6} compound, electrical resistivity experiments under applied pressure suggest that this material might be a Mott insulator. - Graphical abstract: The Weiss constant as a function of La doping for the (Ca,Sr){sub 2−x}La{sub x}FeIrO{sub 6} series, indicating changes in Fe–Ir magnetic coupling on both families. - Highlights: • The double perovskite series (Ca,Sr){sub 2−x}La{sub x}FeIrO{sub 6} were synthesized. • Changes in the Fe-Ir magnetic coupling due to La doping on both series. • Evidence of high T{sub C} on Sr{sub 1.2}La{sub 0.8}FeIrO{sub 6}. • Indication of Mott insulator behavior on Sr{sub 2}FeIrO{sub 6}.

  20. Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs)

    Energy Technology Data Exchange (ETDEWEB)

    Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

    2015-01-15

    Three new isostructural quaternary antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) have been synthesized by using alkali metal thiosulfate flux and structurally characterized by X-ray diffraction. Their structures contain A{sup +} ions around the [Sb{sub 2}Sn{sub 3}S{sub 10}]{sup 2−} chains, which are built from SbS{sub 3} pyramids, SnS{sub 6} octahedra and SnS{sub 4} tetrahedra. Raman and Mössbauer spectroscopic measurements corroborate the oxidation states and coordination environments of Sb(III) and Sn(IV). All three compounds are wide band gap semiconductors. Potassium compound undergoes partial exchange with strontium, cadmium and lead ions. - Graphical abstract: Syntheses, crystal structure, spectroscopic and partial ion-exchange studies of new one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) are described. - Highlights: • Syntheses of new alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs). • Wide band gap semiconductors with one-dimensional structure. • Topotactic partial exchange of K{sup +} ions of K{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} with Sr{sup 2+}, Cd{sup 2+} and Pb{sup 2+} ions.

  1. Heavy ion irradiations on synthetic hollandite-type materials: Ba{sub 1.0}Cs{sub 0.3}A{sub 2.3}Ti{sub 5.7}O{sub 16} (A=Cr, Fe, Al)

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Ming, E-mail: mtang@lanl.gov [Materials Science & Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Tumurugoti, Priyatham; Clark, Braeden; Sundaram, S.K. [Kazuo Inamori School of Engineering, The New York State College of Ceramics, Alfred University, Alfred, NY 14802 (United States); Amoroso, Jake; Marra, James [Materials Science & Technology Directorate, Savannah River National Laboratory, Aiken, SC 29808 (United States); Sun, Cheng [Materials Science & Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Lu, Ping [Sandia National Laboratories, Albuquerque, NM 87185 (United States); Wang, Yongqiang [Materials Science & Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Jiang, Ying-Bing [TEM Laboratory, University of New Mexico, Albuquerque, NM 87131 (United States)

    2016-07-15

    The hollandite supergroup of minerals has received considerable attention as a nuclear waste form for immobilization of Cs. The radiation stability of synthetic hollandite-type compounds described generally as Ba{sub 1.0}Cs{sub 0.3}A{sub 2.3}Ti{sub 5.7}O{sub 16} (A=Cr, Fe, Al) were evaluated by heavy ion (Kr) irradiations on polycrystalline single phase materials and multiphase materials incorporating the hollandite phases. Ion irradiation damage effects on these samples were examined using grazing incidence X-ray diffraction (GIXRD) and transmission electron microscopy (TEM). Single phase compounds possess tetragonal structure with space group I4/m. GIXRD and TEM observations revealed that 600 keV Kr irradiation-induced amorphization on single phase hollandites compounds occurred at a fluence between 2.5×10{sup 14} Kr/cm{sup 2} and 5×10{sup 14} Kr/cm{sup 2}. The critical amorphization fluence of single phase hollandite compounds obtained by in situ 1 MeV Kr ion irradiation was around 3.25×10{sup 14} Kr/cm{sup 2}. The hollandite phase exhibited similar amorphization susceptibility under Kr ion irradiation when incorporated into a multiphase system. - Graphical abstract: 600 keV Kr irradiation-induced amorphization on single phase hollandites compounds occurred at a fluence between 2.5×10{sup 14} Kr/cm{sup 2} and 5×10{sup 14} Kr/cm{sup 2}. The hollandite phase exhibited similar amorphization susceptibility under Kr ion irradiation when incorporated into a multiphase system. This is also the first time that the critical amorphization fluence of single phase hollandite compounds were determined at a fluence of around 3.25×10{sup 14} Kr/cm{sup 2} by in situ 1 MeV Kr ion irradiation. Display Omitted.

  2. Steganography of vector graphics and typography in infrared security printing

    Directory of Open Access Journals (Sweden)

    Tajana Koren Ivančević

    2016-03-01

    Full Text Available The paper elaborates on linear graphics and typographic elements in the function of hiding information in security printing. Hidden information is introduced with the goal to protect the originality of the produced graphic designs so their counterfeiting would be impossible. Those graphic designs are made with programmed linear and typographical elements that have different response in the part of the spectrum visible to the human eye, and in the near infrared part of the spectrum observed with instruments. In order to have different response in the said spectrum parts, in each of the two designs colors are separated in two different ways. In order to achieve unique results, complex algorithms and random numbers are used for color separation. Unique graphic designs have been obtained by merging design and security against counterfeiting.

  3. Sb{sub 2}Te{sub 3} nanobelts and nanosheets: Hydrothermal synthesis, morphology evolution and thermoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Guo-Hui [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Zhu, Ying-Jie, E-mail: y.j.zhu@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Cheng, Guo-Feng; Ruan, Yin-Jie [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)

    2013-02-15

    Graphical abstract: Sb{sub 2}Te{sub 3} nanobelts and nanosheets were synthesized by a hydrothermal method, and the morphology evolution from Sb{sub 2}Te{sub 3} nanobelts to nanosheets with the prolonging hydrothermal time was observed. Highlights: Black-Right-Pointing-Pointer Hydrothermal synthesis of Sb{sub 2}Te{sub 3} nanobelts and nanosheets is demonstrated. Black-Right-Pointing-Pointer The morphology of Sb{sub 2}Te{sub 3} can be adjusted by varying hydrothermal time. Black-Right-Pointing-Pointer The morphology evolution of Sb{sub 2}Te{sub 3} from nanobelts to nanosheets is observed. Black-Right-Pointing-Pointer High Seebeck coefficients (S) of Sb{sub 2}Te{sub 3} nanobelts and nanosheets are attained. - Abstract: Sb{sub 2}Te{sub 3} nanobelts and nanosheets were synthesized by a hydrothermal method using SbCl{sub 3} and TeO{sub 2} as the antimony and tellurium source, hydrazine hydrate as a reducing reagent, polyvinyl alcohol as a surfactant and water as the solvent. The effects of experimental parameters on the product were investigated. The experiments indicated that the elemental Te formed during the reaction, acting as a reactive and self-sacrificial template for the formation of Sb{sub 2}Te{sub 3} nanobelts. The morphology evolution from Sb{sub 2}Te{sub 3} nanobelts to nanosheets with the prolonging hydrothermal time was observed. The products were characterized by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), selected area electron diffraction (SAED), Fourier transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC). The thermoelectric properties of the tablet samples of Sb{sub 2}Te{sub 3} nanostructured powders with different morphologies prepared by a room-temperature pressurized method were investigated.

  4. Nuclear reactors; graphical symbols

    International Nuclear Information System (INIS)

    1987-11-01

    This standard contains graphical symbols that reveal the type of nuclear reactor and is used to design graphical and technical presentations. Distinguishing features for nuclear reactors are laid down in graphical symbols. (orig.) [de

  5. In-situ and self-distributed: A new understanding on catalyzed thermal decomposition process of ammonium perchlorate over Nd{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Min, E-mail: zoumin3362765@163.com; Wang, Xin, E-mail: wangx@mail.njust.edu.cn; Jiang, Xiaohong, E-mail: jxh0668@sina.com; Lu, Lude, E-mail: lulude17@yahoo.com

    2014-05-01

    Catalyzed thermal decomposition process of ammonium perchlorate (AP) over neodymium oxide (Nd{sub 2}O{sub 3}) was investigated. Catalytic performances of nanometer-sized Nd{sub 2}O{sub 3} and micrometer-sized Nd{sub 2}O{sub 3} were evaluated by differential scanning calorimetry (DSC). In contrast to universal concepts, catalysts in different sizes have nearly similar catalytic activities. Based on structural and morphological variation of the catalysts during the reaction, combined with mass spectrum analyses and studies of unmixed style, a new understanding of this catalytic process was proposed. We believed that the newly formed chloride neodymium oxide (NdOCl) was the real catalytic species in the overall thermal decomposition of AP over Nd{sub 2}O{sub 3}. Meanwhile, it was the “self-distributed” procedure which occurred within the reaction that also worked for the improvement of overall catalytic activities. This work is of great value in understanding the roles of micrometer-sized catalysts used in heterogeneous reactions, especially the solid–solid reactions which could generate a large quantity of gaseous species. - Graphical abstract: In-situ and self-distributed reaction process in thermal decomposition of AP catalyzed by Nd{sub 2}O{sub 3}. - Highlights: • Micro- and nano-Nd{sub 2}O{sub 3} for catalytic thermal decomposition of AP. • No essential differences on their catalytic performances. • Structural and morphological variation of catalysts digs out catalytic mechanism. • This catalytic process is “in-situ and self-distributed” one.

  6. Ternary g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} nanocomposites: Novel magnetically separable visible-light-driven photocatalysts for efficiently degradation of dye pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi, Mitra; Habibi-Yangjeh, Aziz, E-mail: ahabibi@uma.ac.ir

    2015-08-01

    In this work, novel magnetically separable g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} nanocomposites were successfully prepared by anchoring Fe{sub 3}O{sub 4} and Ag{sub 3}VO{sub 4} on surface of the g-C{sub 3}N{sub 4} sheets. The prepared samples were fairly characterized using X-ray diffraction, energy dispersive analysis of X-rays, scanning electron microscopy, transmission electron microscopy, UV–vis diffuse reflectance spectroscopy, photoluminescence spectroscopy, thermogravimetric analysis, and vibrating sample magnetometry techniques. Compared with the g-C{sub 3}N{sub 4} and g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4} samples, the g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} nanocomposites displayed higher photocatalytic activity for degradation of rhodamine B under visible-light irradiation. Photocatalytic activity of the nanocomposite with 60% of Ag{sub 3}VO{sub 4} was about 14, 8, and 3-fold higher than those of the g-C{sub 3}N{sub 4}, g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}, and Ag{sub 3}VO{sub 4} samples, respectively. Furthermore, influence of refluxing time, calcination temperature, and scavengers of the reactive species on the degradation activity was investigated in detail and the results were discussed. The enhanced photocatalytic activity of the nanocomposites was attributed to efficiently separation of the charge carriers and their increased visible-light harvesting ability. - Graphical abstract: Display Omitted - Highlights: • g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} was prepared as ternary novel visible-light-driven photocatalyst. • Among the prepared samples, g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/Ag{sub 3}VO{sub 4} (60%) has the best activity. • The activity was related to efficiently generation and separation of charge carriers. • The photocatalyst was magnetically separated from the treated solution.

  7. Hexagonal perovskites with cationic vacancies. 32. Photoluminescence of trivalent rare earth in the systems Ba/sub 2-y/Sr/sub y/La/sub 2-x/RE/sub x/MgW/sub 2/vacantO/sub 12/

    Energy Technology Data Exchange (ETDEWEB)

    Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1982-06-01

    In the series Ba/sub 2-y/Sr/sub y/La/sub 2-x/RE/sub x/MgW/sub 2/vacantO/sub 12/ the Ba/sup 2 +/ can be completely substituted by Sr/sup 2 +/. All compounds crystallize in the rhombohedral 12 L-type (space group R-3m; sequence (hhcc)/sub 3/). By doping the stacking polytypes with some of the trivalent rare earths efficient visible photoluminescence is obtained. The simultaneous incorporation of two different rare earth ions leads to two-color-phosphors, which, according to the excitation energy used, emit either mainly the typical spectrum from one or the other activator; the corresponding luminescence mechanism are discussed.

  8. Synthesis and properties of a new quadruple perovskite: A-site ordered PbMn{sub 3}Mn{sub 4}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Locherer, T.; Dinnebier, R.; Kremer, R.K. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart (Germany); Greenblatt, M., E-mail: martha@rutchem.rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854 (United States); Jansen, M. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart (Germany)

    2012-06-15

    PbMn{sub 3}Mn{sub 4}O{sub 12} a quadruple perovskite was prepared by high pressure and high temperature synthesis. Powder X-ray diffraction (PXD) and differential scanning calorimetry reveal a structural phase transition at {approx}380 K. Rietveld refinement of the synchrotron room temperature data indicate rhombohedral symmetry (R-3) with a=6.43675(4) A and {alpha}=109.556(2) Degree-Sign . Similar 423 K PXD data refined in a body centered cubic cell (Im-3) with a=7.4283(9) A. The temperature variation of magnetization, shows a magnetic field dependent antiferromagnetic-like transition at 68 K, and dynamic fluctuations indicative of magnetic frustration. The semiconducting electrical behavior indicates a large decrease in the conductivity near 68 K. The temperature dependence of the real part of the dielectric constant, {epsilon}{sub real} increases dramatically at {approx}68 K, and shows relaxor-type ferroelectric behavior as a function of frequency. The intimate coupling of magnetic, electrical and dielectric properties at 68 K in PbMn{sub 3}Mn{sub 4}O{sub 12} suggests possible multiferroic behavior. - Graphical abstract: Resistance vs. temperature plot showing drastically increasing resistances at temperatures below 68 K (a). Formation of a frequency dependency of the dielectric constant between 68 K and ambient temperature (b). Sharp cusp in the magnetic susceptibility observed at 68 K which is suppressed with increasing magnetic field (c) indicates coupling of magnetic, electric and dielectric effects. Highlights: Black-Right-Pointing-Pointer PbMn{sub 3}Mn{sub 4}O{sub 12} a quadruple perovskite was prepared at high pressure. Black-Right-Pointing-Pointer A structural transition is seen at 380 K from space group R-3-to-Im-3. Black-Right-Pointing-Pointer An antiferromagnetic transition is observed at 68 K. Black-Right-Pointing-Pointer It is semiconducting with a large decrease in the conductivity near 68 K. Black-Right-Pointing-Pointer The temperature dependence

  9. Tailored temperature window of CuO{sub x}/WO{sub x}–ZrO{sub 2} for NO{sub x} reduction via adjusting the calcination temperature of WO{sub x}–ZrO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Si, Zhichun, E-mail: si.zhichun@sz.tsinghua.edu.cn [Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Wu, Xiaodong [State Key Laboratory of New Ceramics and Fine Process, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Yangtze Delta Region Institute of Tsinghua University, Zhejiang 314000 (China); Weng, Duan, E-mail: duanweng@tsinghua.edu.cn [State Key Laboratory of New Ceramics and Fine Process, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Ma, Ziran; Ma, Jing [State Key Laboratory of New Ceramics and Fine Process, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)

    2013-02-15

    WO{sub x}–ZrO{sub 2} support was calcined at various temperatures for obtaining controllable activity of copper catalysts for NO{sub x} reduction by ammonia. The temperature window of copper catalyst for over 80% NO{sub x} conversion shifts from 180–300 to 230–350 °C by elevating the calcination temperature of WO{sub x}–ZrO{sub 2} support from 500 to 600 °C, due to the increased Brønsted acidity and reduced structure and electronic interactions between copper oxides and tungsten oxides arising from the polymerization of WO{sub x} clusters on surface of support. Calcining WO{sub x}–ZrO{sub 2} support at 700 °C leads to the reduced redox property of copper oxides on the Cu–O–W interface and the formation of bulk-like CuO, results in a low activity of catalyst. - Graphical abstract: The temperature window of catalyst for over 80% NO{sub x} conversion shifts from 180-300 °C to 230–350 °C by elevating the calcination temperature of WO{sub x}–ZrO{sub 2} support from 500 °C to 600 °C. Highlights: ► The temperature window of catalyst is tailored by calcining the support. ► The mechanisms of tailoring the temperature window of catalyst are discussed. ► The polymerization of WO{sub x} leads to the increased Brønsted acidity of catalysts. ► The CuO{sub x}/WO{sub x} interactions are reduced by elevating calcination temperature of support.

  10. Luminescent, optical and electronic properties of La{sub 3}Ta{sub 0.5}Ga{sub 5.5}O{sub 14} single crystals grown in different atmospheres

    Energy Technology Data Exchange (ETDEWEB)

    Spassky, D.A., E-mail: deris2002@mail.ru [National University of Science and Technology (MISiS), Leninsky Prospekt, 4, Moscow 119049 (Russian Federation); Institute of Physics, University of Tartu, Ravila 14c, Tartu 50411 (Estonia); Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Brik, M.G. [Institute of Physics, University of Tartu, Ravila 14c, Tartu 50411 (Estonia); College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Kozlova, N.S.; Kozlova, A.P.; Zabelina, E.V. [National University of Science and Technology (MISiS), Leninsky Prospekt, 4, Moscow 119049 (Russian Federation); Buzanov, O.A. [Fomos-Materials, Buzheninova 16, Moscow 107023 (Russian Federation); Belsky, A. [Institute of Light and Matter, CNRS, University Lyon1, Villeurbanne 69622 (France)

    2016-09-15

    Luminescent, optical and electronic properties of La{sub 3}Ta{sub 0.5}Ga{sub 5.5}O{sub 14} single crystals grown in different atmospheres are presented. The absorption bands at 255, 290, 350 and 480 nm were detected; the intensity of bands increases with the concentration of oxygen in the growth atmosphere. It is shown that the shift of the fundamental absorption edge with the temperature obeys Urbach rule. The corresponding fitting allowed to estimate the slope coefficient σ=0.35, which implies self-trapping of excitons in La{sub 3}Ta{sub 0.5}Ga{sub 5.5}O{sub 14}. Calculations of the band structure, partial densities of states and reflectivity spectra were performed. The bandgap of La{sub 3}Ta{sub 0.5}Ga{sub 5.5}O{sub 14} was determined as E{sub g}=5.6 eV. The luminescence properties under UV, VUV and X-ray excitation were studied. Intrinsic emission band at 440–450 nm is attributed to the excitons self-trapped at TaO{sub 6} molecular complexes. Extrinsic emission bands at 410, 440 and 550 nm are attributed to the emission of excitons trapped by antisite defects, F-centers and oxygen deficient oxyanionic complexes.

  11. Luminescence of one dimensional ZnO, GeO{sub 2}–Zn{sub 2}GeO{sub 4} nanostructure through thermal evaporation of Zn and Ge powder mixture

    Energy Technology Data Exchange (ETDEWEB)

    Pham, Vuong-Hung, E-mail: vuong.phamhung@hust.edu.vn; Kien, Vu Trung; Tam, Phuong Dinh; Huy, Pham Thanh

    2016-07-15

    Graphical abstract: - Highlights: • ZnO and GeO{sub 2}–ZnGeO{sub 4} nanowires were fabricated by thermal evaporation of Zn and Ge powder mixture. • Morphology of specimens were observed to have a nanowire structure to rod-like morphology. • Strong NBE emission band with suppressed visible green emission band were observed on the dominant ZnO nanowires. • Strong emission of ∼530 nm were observed on the GeO{sub 2}–Zn{sub 2}GeO{sub 4} nanowires. - Abstract: This paper reports the first attempt for fabrication of thermal evaporated Zn–Ge powder mixture to achieve near-band-edge (NBE) emission of ZnO and visible emission of GeO{sub 2}–Zn{sub 2}GeO{sub 4} nanowires with controllable intensities. The nanowires were fabricated by thermal evaporation of Zn and Ge powder mixture, particularly, by using different Zn:Ge ratio, temperature and evaporated times. The morphology of nanowires was depended on the Zn and Ge ratio that was observed to have a nanowire structure to rod-like morphology. The thermal evaporation of Zn:Ge powder mixture resulted in formation of dominant ZnO or GeO{sub 2}–Zn{sub 2}GeO{sub 4} nanowires as a function of evaporated parameters. These results suggest that the application of thermal evaporation of Zn and Ge mixture for potential application in synthesis of ZnO or GeO{sub 2}–Zn{sub 2}GeO{sub 4} nanowires for optoelectronic field.

  12. Formal Analysis of Graphical Security Models

    DEFF Research Database (Denmark)

    Aslanyan, Zaruhi

    , software components and human actors interacting with each other to form so-called socio-technical systems. The importance of socio-technical systems to modern societies requires verifying their security properties formally, while their inherent complexity makes manual analyses impracticable. Graphical...... models for security offer an unrivalled opportunity to describe socio-technical systems, for they allow to represent different aspects like human behaviour, computation and physical phenomena in an abstract yet uniform manner. Moreover, these models can be assigned a formal semantics, thereby allowing...... formal verification of their properties. Finally, their appealing graphical notations enable to communicate security concerns in an understandable way also to non-experts, often in charge of the decision making. This dissertation argues that automated techniques can be developed on graphical security...

  13. Exfoliated Pd/HNb{sub 3}O{sub 8} nanosheet as highly efficient bifunctional catalyst for one-pot cascade reaction

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Nahaeng; Chung, Young-Min, E-mail: ymchung@kunsan.ac.kr

    2016-05-01

    Graphical abstract: - Highlights: • Ultrathin and highly acidic HNb{sub 3}O{sub 8} nanosheet was prepared by exfoliation of layered niobium oxide. • Pd/HNb{sub 3}O{sub 8} nanosheet showed excellent catalytic performance for one-pot cascade reaction. • The reaction performance of Pd/HNb{sub 3}O{sub 8} nanosheet is 7.1 and 1.2 times higher than that of layered Pd/KNb{sub 3}O{sub 8} or Pd/HNb{sub 3}O{sub 8}, respectively. • Significant promoting effect of support acidity on the reaction performance was observed. - Abstract: Ultrathin two-dimensional metal oxide nanosheets have drawn attention as potential solid acid catalysts owing to their strong acidity, attributed to the bridged OH groups formed on the nanosheets. In this study, a new class of bifunctional acid–metal catalyst was realized by the deposition of Pd on layered niobium oxide (KNb{sub 3}O{sub 8} and HNb{sub 3}O{sub 8}) or its exfoliated nanosheet (Pd/HNb{sub 3}O{sub 8}-NS) and applied to one-pot cascade deacetalization and hydrogenation. It was found that the acid strength of the support exerted a large influence not only on the promotion of the first deacetalization step, but also on the acceleration of the subsequent hydrogenation step. Comparative experiments using a series of Pd/HZSM-5 catalysts with different acidities reconfirmed the crucial role of acid strength on hydrogenation. However, the superior catalytic activity of Pd/HNb{sub 3}O{sub 8}-NS for hydrogenation compared to that of Pd/HZSM-5 of similar acidity suggests a more efficient ensemble effect of the strong acid sites with the nearby metal sites on the nanosheet surface. Among the catalysts used, Pd/HNb{sub 3}O{sub 8}-NS showed the best catalytic performance for one-pot cascade reaction affording the desired product (benzyl alcohol) in approximately 92% yield, which was 7.1 and 1.2 times higher than that of layered Pd/KNb{sub 3}O{sub 8} or Pd/HNb{sub 3}O{sub 8}, respectively. The excellent catalytic performance of Pd/HNb{sub 3

  14. Hydrothermal synthesis of CdS/Bi{sub 2}MoO{sub 6} heterojunction photocatalysts with excellent visible-light-driven photocatalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Yi; Yan, Xu; Liu, Chunbo; Hong, Yuanzhi; Zhu, Lin; Zhou, Mingjun; Shi, Weidong, E-mail: swd1978@ujs.edu.cn

    2015-10-30

    Graphical abstract: - Highlights: • The novel CdS/Bi{sub 2}MoO{sub 6} heterojunction were synthesized for the first time via a two-step hydrothermal process. • The CdS/Bi{sub 2}MoO{sub 6} heterojunction exhibited an excellent visible-light-driven photocatalytic activity for RhB degradation. • The photocatalytic activity of this heterojunction also evaluated by TC, MB degradation. • The mechanism of this photocatalysis system was firstly proposed. - Abstract: A novel CdS/Bi{sub 2}MoO{sub 6} heterojunction photocatalysts were successfully prepared via two-step hydrothermal methods. The prepared samples were characterized by various physicochemical techniques, such as XRD, SEM, TEM, HRTEM, XPS, UV–vis and PL. The obtained samples exhibited highly photocatalytic activity toward the degradation of the different kinds of organic dyes and tetracycline in aqueous solution under visible light irradiation (λ > 420 nm). The optimum photocatalytic efficiency of CdS-2 sample for the degradation rhodamine B (RhB) was about 25.3 and 3.7 times higher than that of individual CdS and Bi{sub 2}MoO{sub 6}, respectively. In addition, the possible photocatalytic mechanism was analyzed by different active species trapping experiments. The results indicated that the h{sup +} and ·O{sub 2}{sup −} were the main active species for the photocatalytic degradation of RhB. Moreover, the prepared sample shows good stability and recyclability properties which are beneficial for its practical application.

  15. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C{sub 4}H{sub 5}O{sub 6})(C{sub 4}H{sub 4}O{sub 6})][3H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Bhat Zahoor; Want, Basharat, E-mail: bawant@kashmiruniversity.ac.in [Solid State Research Laboratory, Department of Physics, University of Kashmir, Srinagar 190006 (India)

    2016-04-14

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C{sub 4}H{sub 5}O{sub 6})(C{sub 4}H{sub 4}O{sub 6})][3H{sub 2}O]. X-ray crystal structure analyses reveal that it crystallizes in the P4{sub 1}2{sub 1}2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  16. Flow and heat distribution analysis of different transformer sub-stations

    International Nuclear Information System (INIS)

    Hasini, H; Shuaib, N H; Yogendran, S B; Toh, K B

    2013-01-01

    This paper describes CFD investigation on the flow and heat transfer in transformers at different sub-station buildings. The analysis aimed to determine the cooling capability of the existing transformer building employing natural ventilation system to dissipate heat sufficiently when new dry-type transformer operating under full load condition is used. The transformer and building models were developed based on the actual transformer configuration in operation at three different locations in Malaysia. The calculation was carried out on three different types of sub-stations namely stand-alone, attach-to-building and underground. The effect of natural ventilation speed and building volume on the transformer surfaces temperature are also investigated. It was predicted that the existing sub-station configuration is able to dissipate heat produced from the dry type transformer by using its natural ventilation system regardless of the sub-station types. However, the smallest building case shows relatively high surrounding temperature

  17. The graphics future in scientific applications-trends and developments in computer graphics

    CERN Document Server

    Enderle, G

    1982-01-01

    Computer graphics methods and tools are being used to a great extent in scientific research. The future development in this area will be influenced both by new hardware developments and by software advances. On the hardware sector, the development of the raster technology will lead to the increased use of colour workstations with more local processing power. Colour hardcopy devices for creating plots, slides, or movies will be available at a lower price than today. The first real 3D-workstations will appear on the marketplace. One of the main activities on the software sector is the standardization of computer graphics systems, graphical files, and device interfaces. This will lead to more portable graphical application programs and to a common base for computer graphics education.

  18. Synthesis, crystal structure, optical, and electronic study of the new ternary thorium selenide Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Prakash, Jai [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Mesbah, Adel [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule-Bât. 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Beard, Jessica [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036), Institut Jean Barriol, Université de Lorraine, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy (France); Malliakas, Christos D. [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States)

    2015-11-15

    The compound Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. Its crystal structure features one-dimensional chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. Each Th atom in these chains is coordinated to two Se–Se single-bonded pairs and four Se atoms to give rise to a pseudooctahedral geometry around Th. The Th–Se distances are consistent with Th{sup 4+} and hence charge balance of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is achieved as 3×Ba{sup 2+}, 1×Th{sup 4+}, 3×Se{sup 2−}, and 2×Se{sub 2}{sup 2−}. From optical measurements the band gap of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is 1.96(2) eV. DFT calculations indicate that the compound is a semiconductor. - Graphical abstract: Local coordination environment of Th atoms in the Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} structure. - Highlights: • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. • The structure features chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is a semiconductor with a band gap of 1.96(2) eV.

  19. Enhanced photocatalytic activity for degrading pollutants of g-C{sub 3}N{sub 4} by promoting oxygen adsorption after H{sub 3}BO{sub 3} modification

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chengming; Raziq, Fazal; Liu, Chong; Li, Zhijun [Key Laboratory of Functional Inorganic Materials Chemistry (Heilongjiang University), Ministry of Education, School of Chemistry and Materials Science, Harbin 150080 (China); Sun, Liqun [Key Laboratory of Functional Inorganic Materials Chemistry (Heilongjiang University), Ministry of Education, School of Chemistry and Materials Science, Harbin 150080 (China); College of Chemical Engineering, Daqing Normal University, Daqing 163712 (China); Jing, Liqiang, E-mail: jinglq@hlju.edu.cn [Key Laboratory of Functional Inorganic Materials Chemistry (Heilongjiang University), Ministry of Education, School of Chemistry and Materials Science, Harbin 150080 (China)

    2015-12-15

    Graphical abstract: - Highlights: • G-C{sub 3}N{sub 4} is modified by a hydrothermal post treatment with orthoboric acid. • The surface modification could enhance the separation of photogenerated charges. • This leads to the enhanced photocatalytic activities for degrading pollutants. • The borate acid modification favors O{sub 2} adsorption to promote charge separation. - Abstract: The g-C{sub 3}N{sub 4} has been modified by a hydrothermal post treatment with orthoboric acid. It is shown that the surface modification with an appropriate amount of orthoboric acid obviously enhances the surface photovoltage responses of g-C{sub 3}N{sub 4}, clearly indicating that the separation of photogenerated charges is greatly improved. This is well responsible for the enhanced photocatalytic activities for degrading representative gas-phase acetaldehyde, and liquid-phase phenol. Moreover, it is demonstrated that the amount of O{sub 2} adsorbed on the surfaces of g-C{sub 3}N{sub 4} is greatly increased after H{sub 3}BO{sub 3} modification based on the O{sub 2} temperature-programmed desorption curves. It is suggested that the orthoboric acid modification favors O{sub 2} adsorption to promote the photogenerated electrons captured for improved photocatalytic activities. This work would provide feasible routes to further improve the photocatalytic performance of semiconductors for degrading pollutants.

  20. Photocatalytic reduction of CO{sub 2} into methanol and ethanol over conducting polymers modified Bi{sub 2}WO{sub 6} microspheres under visible light

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Weili, E-mail: wldai81@126.com; Xu, Hai; Yu, Juanjuan; Hu, Xu; Luo, Xubiao, E-mail: luoxubiao@126.com; Tu, Xinman; Yang, Lixia

    2015-11-30

    Graphical abstract: - Highlights: • Conducting polymers modified Bi{sub 2}WO{sub 6} HHMS (CP/Bi{sub 2}WO{sub 6}) was successfully synthesized. • The introduction of CP decreases the recombination of photogenerated e{sup –}–h{sup +} pairs. • The PTh/Bi{sub 2}WO{sub 6} exhibites good stability and recyclability for CO{sub 2} photoreduction. • The possible photocatalytic mechanism was discussed and proposed. - Abstract: Bi{sub 2}WO{sub 6} hierarchical hollow microspheres (HHMS) modified with different conducting polymers (polyaniline, polypyrrole, and polythiophene) were successfully synthesized by ‘in situ’ deposition oxidative polymerization method, and evaluated as photocatalysts for the photocatalytic reduction of CO{sub 2} with H{sub 2}O to methanol and ethanol. It was found that the introduction of conducting polymers obviously decreased the recombination of photogenerated electron–hole pairs, thus promoting the photocatalytic activity of Bi{sub 2}WO{sub 6}. Among the as-fabricated photocatalysts, polythiophene modified Bi{sub 2}WO{sub 6} (PTh/Bi{sub 2}WO{sub 6}) exhibited the best photoelectronic and photocatalytic performance, due to the narrow band gap and good charge mobility of polythiophene. The results demonstrate that the methanol and ethanol yield over PTh/Bi{sub 2}WO{sub 6} was 56.5 and 20.5 μmol g{sub cat}{sup −1} in 4 h, respectively. The total yield of hydrocarbons is 2.8 times higher than that over pure Bi{sub 2}WO{sub 6}. It is noted that the catalyst exhibits good recyclability and stability. After five consecutive runs, the PTh/Bi{sub 2}WO{sub 6} catalyst shows no significant loss of photocatalytic activity. The possible photocatalytic mechanism was proposed which is beneficial for further improving the activity of photocatalysts. The approach described in this study provides a simple and reliable strategy for the rational design of efficient visible light-driven photocatalysts for photoreduction of CO{sub 2} to hydrocarbons.

  1. Graphic Storytelling

    Science.gov (United States)

    Thompson, John

    2009-01-01

    Graphic storytelling is a medium that allows students to make and share stories, while developing their art communication skills. American comics today are more varied in genre, approach, and audience than ever before. When considering the impact of Japanese manga on the youth, graphic storytelling emerges as a powerful player in pop culture. In…

  2. Graphic and Arousing? Emotional and Cognitive Reactions to Tobacco Graphic Health Warnings and Associated Quit-Related Outcomes Among Low SEP Population Groups.

    Science.gov (United States)

    Bekalu, Mesfin Awoke; Ramanadhan, Shoba; Bigman, Cabral A; Nagler, Rebekah H; Viswanath, Kasisomayajula

    2018-02-01

    Research on graphic health warnings (GHWs) indicates that beyond changing cognitions about the health effects of smoking, GHWs evoke emotional reactions that can influence quit-related outcomes. Emotions can be classified based on valence (positive or negative) and arousal (calm or excited). However, although considerable research has examined the differential effectiveness of positive versus negative GHW-evoked emotions, research investigating the role of arousal activation in quit-related behaviors is scarce. This study examined associations between quit-related outcomes (intention and attempt to quit) and GHWs-evoked negative emotions classified as high and low in arousal activation as well as cognitive reactions among smokers of low socioeconomic position (SEP). It also examined whether perceived health risks of smoking moderate the relationship between emotional and cognitive reactions to GHWs and quit-related outcomes. Data were collected from low SEP smokers in three Massachusetts communities. Participants were screened and randomized to view one of the nine GHWs initially proposed for use by the U.S. Food and Drug Administration (FDA) and answered pre- and post-exposure questions. Results showed that GHW-evoked negative emotions high in arousal activation and cognitive reactions were both significantly associated with intention to quit during immediate post-test, controlling for age, warning label difference, and prior quit intention. However, these associations did not hold for quit attempts at follow-up. Perceived health risks of smoking moderated the association between cognitive reactions to GHWs and quit attempts at follow-up. The findings suggest that not all negative emotions evoked by GHWs are effective. Negative emotions high in arousal activation may be more effective in influencing quit-related behavioral intentions in low SEP groups. Additionally, unlike emotional reactions, cognitive reactions to GHWs may have effects that last relatively

  3. The BiCu{sub 1−x}OS oxysulfide: Copper deficiency and electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Berthebaud, D.; Guilmeau, E.; Lebedev, O.I. [Laboratoire CRISMAT, UMR 6508 CNRS/ENSICAEN/UCBN, 6 bd du Maréchal Juin, F-14050 CAEN Cedex 4 (France); Maignan, A., E-mail: antoine.maignan@ensicaen.fr [Laboratoire CRISMAT, UMR 6508 CNRS/ENSICAEN/UCBN, 6 bd du Maréchal Juin, F-14050 CAEN Cedex 4 (France); Gamon, J.; Barboux, P. [Institut de Recherche de Chimie de Paris, Ecole Nationale Supérieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 09 France (France)

    2016-05-15

    An oxysulfide series of nominal compositions BiCu{sub 1−x}OS with x<0.20 has been prepared and its structural properties characterized by combining powder X-ray diffraction and transmission electron microscopy techniques. It is found that this oxysulfide, crystallizing in the P4/nmm space group, tends to adopt a constant amount of copper vacancy corresponding to x=0.05 in the BiCu{sub 1−x}OS formula. The presence of Cu vacancies is confirmed by HAADF-STEM analysis showing, in the Cu atomic columns, alternating peaks of different intensities in some very localized regions. For larger Cu deficiencies (x>0.05 in the nominal composition), other types of structural nanodefects are evidenced such as bismuth oxysulfides of the “BiOS” ternary system which might explain the report of superconductivity for the BiCu{sub 1−x}OS oxysulfide. Local epitaxial growth of the BiCuOS oxysulfide on top of CuO is also observed. In marked contrast to the BiCu{sub 1−x}OSe oxyselenide, these results give an explanation to the limited impact of Cu deficiency on the Seebeck coefficient in BiCu{sub 1−x}OS compounds. - Graphical abstract: High resolution TEM image showing a Bi(Cu)OS/Bi{sub 2}O{sub 2}S interface and corresponding dislocation region. The Bi(Cu)OS structure adopts a rather constant Cu content (near 0.95); starting from BiCuOS leads to the formation of defects such as the Bi{sub 2}O{sub 2}S oxysulfide.

  4. XPS and EELS characterization of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Grosvenor, A.P., E-mail: andrew.grosvenor@usask.ca [Department of Chemistry, University of Saskatchewan, Saskatoon, SK S7N 5C9 (Canada); Bellhouse, E.M., E-mail: erika.bellhouse@arcelormittal.com [Global R & D—Hamilton, ArcelorMittal Dofasco, 1330 Burlington St. E, Hamilton, ON L8N 3J5 (Canada); Korinek, A., E-mail: korinek@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); Bugnet, M., E-mail: bugnetm@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); McDermid, J.R., E-mail: mcdermid@mcmaster.ca [Steel Research Centre, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada)

    2016-08-30

    Graphical abstract: XPS and EELS spectra were acquired from Mn2Al2O4, MnSiO3 and Mn2SiO4 standards and unique features identified that will allow unambiguous identification of these compounds when studying the selective oxidation of advanced steels. - Highlights: • Mn2Al2O4, MnSiO3 and Mn2SiO4 standards were synthesized and characterized using both XPS and EELS. • Unique features in both the XPS high resolution and EELS spectra were identified for all compounds. • The spectra can be used to identify these compounds when studying the selective oxidation of steels. - Abstract: X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn{sub 2}SiO{sub 4}, MnSiO{sub 3}, and MnAl{sub 2}O{sub 4} by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

  5. A Theoretical Analysis of Learning with Graphics--Implications for Computer Graphics Design.

    Science.gov (United States)

    ChanLin, Lih-Juan

    This paper reviews the literature pertinent to learning with graphics. The dual coding theory provides explanation about how graphics are stored and precessed in semantic memory. The level of processing theory suggests how graphics can be employed in learning to encourage deeper processing. In addition to dual coding theory and level of processing…

  6. Properties of different temperature annealed Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films prepared by RF sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Yu Zhou; Liu Lian; Yan Yong; Zhang Yanxia; Li Shasha; Yan Chuanpeng; Zhang Yong [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education of China, Superconductivity and New Energy R and D Center (SNERDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); Zhao Yong, E-mail: yzhao@swjtu.edu.cn [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education of China, Superconductivity and New Energy R and D Center (SNERDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer The Cu(In,Ga)Se{sub 2} and Cu(In,Ga)2Se{sub 3.5} films follow different process to form CIGS phase. Black-Right-Pointing-Pointer Composition loss of the annealed Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films are different. Black-Right-Pointing-Pointer Hexagonal CuSe phase exhibits unique transport feature. Black-Right-Pointing-Pointer Conductivity of the CIGS films is affected by the 'variable range hopping' mechanism. - Abstract: We have investigated the effect of annealing temperature on structural, compositional, electrical properties of the one-step RF sputtered Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films. After the annealing at various temperatures, loss of Se element is significant for the Cu(In,Ga)Se{sub 2} films and meanwhile composition of the annealed Cu(In,Ga){sub 2}Se{sub 3.5} films keeps almost constant. The as-deposited Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films show amorphous structure and they follow different transformation process to form chalcopyrite structure. Electrical conductivity of the annealed CIGS films related to their chemical composition. Cu(In,Ga)Se{sub 2} films annealed at 150 Degree-Sign C show unique electron transport mechanism for the formation of hexagonal CuSe phase. Electrical conductivity of the chalcopyrite structure films are dominated by the 'variable range hopping' transport mechanism. The annealed Cu(In,Ga){sub 2}Se{sub 3.5} films present higher density of disorders than the annealed Cu(In,Ga)Se{sub 2} films for their significant Cu deficient composition.

  7. The Graphical User Interface Crisis: Danger and Opportunity.

    Science.gov (United States)

    Boyd, Lawrence H.; And Others

    This paper examines graphic computing environments, identifies potential problems in providing access to blind people, and describes programs and strategies being developed to provide this access. The paper begins with an explanation of how graphic user interfaces differ from character-based systems in their use of pixels, visual metaphors such as…

  8. Investigation of the molecular motions in Cd(NH/sub 3/)/sub 6/Cl/sub 2/ by NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pislewski, N [Polska Akademia Nauk, Poznan. Inst. Fizyki Molekularnej; Ferris, L T.H. [University Coll., London (UK). Dept. of Chemistry

    1981-07-01

    NMR results are reported for intramolecular motion in Cd(NH/sub 3/)/sub 6/Cl/sub 2/. Below the 180 K phase transition, the motion of the NH/sub 3/ groups is well described by the Hilt-Hubbard theory with an activation energy of 9.63 kJ/mol. The inter-proton distance in NH/sub 3/ determined from relaxational measurements is 0.161 nm. Several K below and above the transition point, two phases with different spin-lattice relaxation times coexist.

  9. Heterogeneous Multicore Parallel Programming for Graphics Processing Units

    Directory of Open Access Journals (Sweden)

    Francois Bodin

    2009-01-01

    Full Text Available Hybrid parallel multicore architectures based on graphics processing units (GPUs can provide tremendous computing power. Current NVIDIA and AMD Graphics Product Group hardware display a peak performance of hundreds of gigaflops. However, exploiting GPUs from existing applications is a difficult task that requires non-portable rewriting of the code. In this paper, we present HMPP, a Heterogeneous Multicore Parallel Programming workbench with compilers, developed by CAPS entreprise, that allows the integration of heterogeneous hardware accelerators in a unintrusive manner while preserving the legacy code.

  10. Mechanism of γ-irradiation induced phase transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Jagadeesha Angadi, V. [Department of Physics, Bangalore University, Bangalore, Karnataka 560056 (India); Anupama, A.V.; Choudhary, Harish K.; Kumar, R. [Materials Research Centre, Indian Institute of Science, Bangalore, 560012 (India); Somashekarappa, H.M. [Center for Application of Radioisotopes and Radiation Technology, Mangalore University, Mangalore 574199 (India); Mallappa, M. [Department of Chemistry, Government Science College, Bangalore 560001 (India); Rudraswamy, B. [Department of Physics, Bangalore University, Bangalore, Karnataka 560056 (India); Sahoo, B., E-mail: bsahoo@mrc.iisc.ernet.in [Materials Research Centre, Indian Institute of Science, Bangalore, 560012 (India)

    2017-02-15

    The structural, infrared absorption and magnetic property transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} samples irradiated with different doses (0, 15, 25 and 50 kGy) of γ-irradiation were investigated in this work and a mechanism of phase transformation/decomposition is provided based on the metastable nature of the Mn-atoms in the spinel lattice. The nano-powder sample was prepared by solution combustion route and the pellets of the sample were exposed to γ-radiation. Up to a dose of 25 kGy of γ-radiation, the sample retained the single phase cubic spinel (Fd-3m) structure, but the disorder in the sample increased. On irradiating the sample with 50 kGy γ-radiation, the spinel phase decomposed into new stable phases such as α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases along with amorphous MnO phase, leading to a change in the surface morphology of the sample. Along with the structural transformations the magnetic properties deteriorated due to breakage of the ferrimagnetic order with higher doses of γ-irradiation. Our results are important for the understanding of the stability, durability and performance of the Mn-Zn ferrite based devices used in space applications. - Graphical abstract: The nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramic sample transforms to crystalline α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases (and amorphous MnO phase) at a γ-irradiation dose of 50 kGy, as MnO goes out of the spinel lattice. The high energy γ-irradiation causes structural damage to the nanomaterials leading to change in morphology of the sample as seen in the SEM images. - Highlights: • Mn atoms are more unstable in the Mn-Zn ferrite spinel lattice than Zn-atoms. • Displacement of Mn atoms by γ-radiation from the lattice renders phase transformation. • In Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, Mn-ferrite cell transforms to crystalline α-Fe{sub 2}O{sub 3} and amorphous MnO. • The stable ZnFe{sub 2}O{sub

  11. Graphic Turbulence Guidance

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Forecast turbulence hazards identified by the Graphical Turbulence Guidance algorithm. The Graphical Turbulence Guidance product depicts mid-level and upper-level...

  12. Surface properties and dye loading behavior of Zn{sub 2}SnO{sub 4} nanoparticles hydrothermally synthesized using different mineralizers

    Energy Technology Data Exchange (ETDEWEB)

    Annamalai, Alagappan; Eo, Yang Dam [Department of Advanced Technology Fusion, Konkuk University, 1 Hwayang-dong, Kwangjin-gu, Seoul 143-701 (Korea, Republic of); Im, Chan [Department of Chemistry, Konkuk University, 1 Hwayang-dong, Kwangjin-gu, Seoul 143-701 (Korea, Republic of); Lee, Man-Jong, E-mail: leemtx@konkuk.ac.kr [Department of Advanced Technology Fusion, Konkuk University, 1 Hwayang-dong, Kwangjin-gu, Seoul 143-701 (Korea, Republic of)

    2011-10-15

    We present for the first time the influence of different mineralizers on the isoelectric point (IEP) of zinc stannate (Zn{sub 2}SnO{sub 4}) nanoparticles hydrothermally prepared using three different mineralizers, viz., Na{sub 2}CO{sub 3}, KOH and tert-butyl amine, and the effect of the IEPs on the dye loading behavior of Zn{sub 2}SnO{sub 4} based photoelectrodes in dye sensitized solar cells (DSSCs). To produce highly crystalline, uniform sized Zn{sub 2}SnO{sub 4} nanoparticles, hydrothermal processing parameters, such as reaction temperature, time, and the mineralizers used have been critically adjusted. The structural and morphological features of the as-synthesized Zn{sub 2}SnO{sub 4} nanoparticles have been observed using both scanning and transmission electron microscopy. For the surface state characterization of shape- and size-controlled Zn{sub 2}SnO{sub 4} nanoparticles, the IEPs of Zn{sub 2}SnO{sub 4} surfaces were determined through zeta potential measurements. The IEPs were found to be 5.7, 7.4 and 8.1 for Zn{sub 2}SnO{sub 4} nanoparticles formed using Na{sub 2}CO{sub 3}, KOH and tert-butyl amine, respectively, suggesting that the surface properties of Zn{sub 2}SnO{sub 4} nanoparticles can be manipulated through the choice of the mineralizers used during the hydrothermal reaction. The amount of N719 dye loading on the surfaces of Zn{sub 2}SnO{sub 4} electrodes having different IEPs was also evaluated. It was revealed that the higher the IEP, the higher the dye loading amount, which means that the IEP mainly affects the dye loading at the dye-metal oxide interface. - Highlights: {yields} The effect of various mineralizers on the isoelectric point of Zn{sub 2}SnO{sub 4} was discussed. {yields} The IEP of Zn{sub 2}SnO{sub 4} can be modified by the choice of mineralizer. {yields} Change in IEP affects the surface properties and the morphology of Zn{sub 2}SnO{sub 4} particles. {yields} Modified surface affects the N719 dye loading behaviour of the Zn{sub 2

  13. Effect of Mg substitution on crystal structure and hydrogenation of Ce{sub 2}Ni{sub 7}-type Pr{sub 2}Ni{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Iwase, Kenji, E-mail: fbiwase@mx.ibaraki.ac.jp [Department of Materials Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Mori, Kazuhiro [Research Reactor Institute, Kyoto University, 2-1010 Asashiro-nishi, Kumatori, Sennan, Osaka 590-0494 (Japan); Terashita, Naoyoshi [Japan Metals & Chemicals Co., Ltd., Nishiokitama-gun, Yamagata 999-1351 (Japan); Tashiro, Suguru; Suzuki, Tetsuya [Department of Materials Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan)

    2017-03-15

    The effect of Pr being substituted by Mg in Pr{sub 2}Ni{sub 7} with a Ce{sub 2}Ni{sub 7}-type structure was investigated by X-ray diffraction (XRD) and pressure−composition (P−C) isotherm measurements. The maximum hydrogen capacity of Pr{sub 2}Ni{sub 7} reached 1.24 H/M in the first absorption process. However, 0.61 H/M hydrogen remained in the sample after the first desorption and the reversible hydrogen capacity decreased to 0.63 H/M. Severe peak broadening was observed in the XRD profile of Pr{sub 2}Ni{sub 7}H{sub 5.4} after the first P−C isotherm cycle. The metal sublattice of Pr{sub 2}Ni{sub 7}H{sub 5.4} is deformed and changes from the Ce{sub 2}Ni{sub 7}-type structure to a lower symmetry during hydrogenation, with no detection of an amorphous phase. Pr{sub 1.5}Mg{sub 0.5}Ni{sub 7} consists of two phases: 80% Gd{sub 2}Co{sub 7}-type and 20% PuNi{sub 3}-type phases. Mg substitution leads to the relative stability of the Gd{sub 2}Co{sub 7}-type and PuNi{sub 3}-type structures. The Gd{sub 2}Co{sub 7}-type and PuNi{sub 3}-type structures are retained after the P-C isotherm. The reversible hydrogen capacity reached 1.05 H/M. The structural change during the hydrogen absorption−desorption cycle and the hydrogenation characteristics are changed by Mg atoms replacing Pr in the MgZn{sub 2}-type cell. - Graphical abstract: The maximum hydrogen capacity is 1.2 H/M in the first absorption process and the reversible capacity is 0.63 H/M.

  14. Synthesis, structure and chemical bonding of CaFe{sub 2−x}Rh{sub x}Si{sub 2} (x=0, 1.32, and 2) and SrCo{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Hlukhyy, Viktor, E-mail: viktor.hlukhyy@lrz.tu-muenchen.de; Hoffmann, Andrea V.; Fässler, Thomas F.

    2013-07-15

    The finding of superconductivity in Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} put the attention on the investigation of compounds that crystallize with ThCr{sub 2}Si{sub 2} structure type such as AT{sub 2}X{sub 2} (A=alkali/alkaline earth/rare earth element; T=transition metal and X=element of the 13–15th group). In this context the silicides CaFe{sub 2}Si{sub 2}, CaFe{sub 0.68(6)}Rh{sub 1.32(6)}Si{sub 2}, CaRh{sub 2}Si{sub 2} and SrCo{sub 2}Si{sub 2} have been synthesized by reaction of the elements under an argon atmosphere. Single crystals were obtained by special heat treatment in welded niobium/tantalum ampoules. The compounds were investigated by means of powder and single crystal X-ray diffraction. All compounds crystallize in the ThCr{sub 2}Si{sub 2}-type structure with space group I4/mmm (No. 139): a=3.939(1) Å, c=10.185(1) Å, R{sub 1}=0.045, 85 F{sup 2} values, 8 variable parameters for CaFe{sub 2}Si{sub 2}; a=4.0590(2) Å, c=9.9390(8) Å, R{sub 1}=0.030, 90 F{sup 2} values, 10 variable parameters for CaFe{sub 0.68(6)}Rh{sub 1.32(6)}Si{sub 2}; a=4.0695(1) Å, c=9.9841(3) Å, R{sub 1}=0.031, 114 F{sup 2} values, 9 variable parameters for CaRh{sub 2}Si{sub 2}; and a=3.974(1) Å, c=10.395(1) Å, R{sub 1}=0.036, 95 F{sup 2} values, 8 variable parameters for SrCo{sub 2}Si{sub 2}. The structure of SrCo{sub 2}Si{sub 2} contains isolated [Co{sub 2}Si{sub 2}]{sup 2−} 2D-layers in the ab-plane whereas in CaFe{sub 2−x}Rh{sub x}Si{sub 2} the [T{sub 2}Si{sub 2}] layers (T=Fe and Rh) are interconnected along the c-axis via Si3Si bonds resulting in a three-dimentional (3D) [T{sub 2}Si{sub 2}]{sup 2−} polyanions and therefore belong to the so-called collapsed form of the ThCr{sub 2}Si{sub 2}-type structure. The SrCo{sub 2}Si{sub 2} and CaRh{sub 2}Si{sub 2} are isoelectronic to the parent 122 iron–pnictide superconductors AeFe{sub 2}As{sub 2} (Ae=alkaline earth elements), whereas CaFe{sub 2}Si{sub 2} is a full substituted variant (As/Si) of CaFe{sub 2}As{sub 2

  15. Graphic Presentation: An Empirical Examination of the Graphic Novel Approach to Communicate Business Concepts

    Science.gov (United States)

    Short, Jeremy C.; Randolph-Seng, Brandon; McKenny, Aaron F.

    2013-01-01

    Graphic novels have been increasingly incorporated into business communication forums. Despite potential benefits, little research has examined the merits of the graphic novel approach. In response, we engage in a two-study approach. Study 1 explores the potential of graphic novels to affect learning outcomes and finds that the graphic novel was…

  16. Piezoelectric properties enhanced of Sr{sub 0.6}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9} ceramic by (LiCe) modification with charge neutrality

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Pinyang, E-mail: fpy_2000@163.com [Shaanxi Key Laboratory of Photoelectric Functional Materials and Devices, School of Materials and Chemical Engineering, Xi’an Technological University, Xi’an 710032 (China); Xi, Zengzhe; Long, Wei; Li, Xiaojuan [Shaanxi Key Laboratory of Photoelectric Functional Materials and Devices, School of Materials and Chemical Engineering, Xi’an Technological University, Xi’an 710032 (China); Li, Jin [Northwest Institute For Non-ferrous Metal Research, Xi’an 710016 (China)

    2013-09-01

    Graphical abstract: The oxygen vacancies were confirmed by the left figure. The role of oxygen vacancy on piezoelectric activities was obtained by comparing to the varieties of oxygen vacancy concentration and piezoelectric coefficient with (LiCe) modification. -- Highlights: • The Sr{sub 0.6}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9} ceramic by (LiCe) modification with the charge neutrality was synthesized by the solid state reaction method. • The Curie temperature and piezoelectric coefficient were found to be T{sub c} ∼590 °C and d{sub 33} ∼32 pC/N, respectively. • The mechanism of piezoelectric activities improved by (LiCe) modification was discussed. -- Abstract: Aurivillius-type ceramics, Sr{sub 0.6−x}(LiCe){sub x/2.5}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9}(SLCBNBNO) with the charge neutrality, were synthesized by using conventional solid-state processing. Phase analysis was performed by X-ray diffraction analyses (XRD) and Raman spectroscopy. Microstructural morphology was assessed by the scanning electron microscopy (SEM). Structural, dielectric, piezoelectric, ferroelectric, and electromechanical properties of the SLCBNBNO ceramics were investigated. Piezoelectric properties were significantly enhanced compared to Sr{sub 0.6}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9} (SBNBN) ceramic and the maximum of piezoelectric coefficient d{sub 33} of the SBNBN-LC6 ceramic was 32 pC/N with higher Curie temperature (T{sub c} ∼590 °C). In addition, mechanisms for the piezoelectric properties enhanced of the SBNBN-based ceramics were discussed.

  17. Different doping effect on physical properties of non-magnetic Pt and Ga in CaFe{sub 4}As{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Dapeng

    2015-02-25

    Highlights: • CaFe{sub 3.64}Pt{sub 0.36}As{sub 3} and CaFe{sub 3.64}Ga{sub 0.36}As{sub 3} were grown using Sn flux method. • The two magnetic transition temperatures of CaFe{sub 4}As{sub 3} remain untouched upon Pt or Ga doping. • The effects of Pt and Ga doping give a different modification of physical properties and electronic structure in CaFe{sub 4}As{sub 3}. • The magnetic structure of CaFe{sub 4}As{sub 3} is insusceptible to non-magnetic dopants. - Abstract: We have successfully doped Pt and Ga into CaFe{sub 4}As{sub 3} and investigated the structure and physical properties of CaFe{sub 3.64}X{sub 0.36}As{sub 3} (X = Pt, Ga). Two magnetic transition temperatures remain unchanged upon Pt or Ga doping, as confirmed by specific heat, electrical resistivity and magnetic susceptibility. The electrical resistivity of CaFe{sub 4}As{sub 3} is reduced by approximately half with Pt dopant but increases by an order of magnitude with Ga doping, consistent with the changes in their Hall coefficients, which indicates the effects of Pt and Ga doping give us a different modification on physical properties and electronic structure in CaFe{sub 4}As{sub 3}.

  18. Monodisperse and core-shell structured SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+} (Ln=Eu, Tb, Dy, Sm, Er, Ho, and Tm) spherical particles: A facile synthesis and luminescent properties

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhenhe, E-mail: xuzh056@163.com [College of Applied Chemistry, Shenyang University of Chemical Technology, Shenyang 100142 (China); Feng, Bin [China National Aviation Fuel Group Corporation, Planning and Development Department, Beijing 100088 (China); Bian, Shasha; Liu, Tao; Wang, Mingli; Gao, Yu; Sun, Di; Gao, Xin [College of Applied Chemistry, Shenyang University of Chemical Technology, Shenyang 100142 (China); Sun, Yaguang, E-mail: yaguangsun@yahoo.com.cn [College of Applied Chemistry, Shenyang University of Chemical Technology, Shenyang 100142 (China)

    2012-12-15

    The core-shell structured SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+} particles were realized by coating the Lu{sub 2}O{sub 3}:Ln{sup 3+} phosphors onto the surface of non-aggregated, monodisperse and spherical SiO{sub 2} particles by the Pechini sol-gel method. The as-synthesized products were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), energy-dispersive X-ray (EDX) spectra, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), photolumiminescence (PL), and low-voltage cathodoluminescence (CL). The results indicate that the 800 Degree-Sign C annealed sample consists of crystalline Lu{sub 2}O{sub 3} shells and amorphous SiO{sub 2} cores, in spherical shape with a narrow size distribution. The as-obtained particles show strong light emission with different colors corresponding to different Ln{sup 3+} ions under ultraviolet-visible light excitation and low-voltage electron beams excitation, which have potential applications in fluorescent lamps and field emission displays. - Graphical Abstract: Representative SEM and TEM images of the core-shell structured SiO{sub 2}-Lu{sub 2}O{sub 3}:Eu{sup 3+} particles; CIE chromaticity diagram showing the emission colors for SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+}; Multicolor emissions of SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+} particles. Highlights: Black-Right-Pointing-Pointer The core-shell particles were realized by coating the phosphors onto the surface of SiO{sub 2} particles. Black-Right-Pointing-Pointer The sample consists of crystalline Lu{sub 2}O{sub 3} shells and amorphous SiO{sub 2} cores. Black-Right-Pointing-Pointer The particles show different light emission colors corresponding to Ln{sup 3+} ions. Black-Right-Pointing-Pointer They have potential applications in fluorescent lamps and field emission displays.

  19. A review on g-C{sub 3}N{sub 4}-based photocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Jiuqing; Xie, Jun [College of Materials and Energy, Key Laboratory of Energy Plants Resource and Utilization, Ministry of Agriculture, Key Laboratory of Biomass Energy of Guangdong Regular Higher Education Institutions, South China Agricultural University, Guangzhou, 510642 (China); Chen, Xiaobo, E-mail: chenxiaobo@umkc.edu [Department of Chemistry, University of Missouri – Kansas City, Kansas City, MO, 64110 (United States); Li, Xin, E-mail: Xinliscau@yahoo.com [College of Materials and Energy, Key Laboratory of Energy Plants Resource and Utilization, Ministry of Agriculture, Key Laboratory of Biomass Energy of Guangdong Regular Higher Education Institutions, South China Agricultural University, Guangzhou, 510642 (China)

    2017-01-01

    Graphical abstract: The photocatalytic fundamentals, versatile properties, design strategies and potential applications of g-C{sub 3}N{sub 4}-based photocatalysts were systematically summarized and addressed. - Highlights: • The photocatalytic fundamentals of g-C{sub 3}N{sub 4} were systematically summarized. • The versatile properties of g-C{sub 3}N{sub 4} photocatalysts were highlighted. • The different design strategies of g-C{sub 3}N{sub 4} photocatalysts were reviewed. • The important photocatalytic applications of g-C{sub 3}N{sub 4} were also addressed. - Abstract: As one of the most appealing and attractive technologies, heterogeneous photocatalysis has been utilized to directly harvest, convert and store renewable solar energy for producing sustainable and green solar fuels and a broad range of environmental applications. Due to their unique physicochemical, optical and electrical properties, a wide variety of g-C{sub 3}N{sub 4}-based photocatalysts have been designed to drive various reduction and oxidation reactions under light irradiation with suitable wavelengths. In this review, we have systematically summarized the photocatalytic fundamentals of g-C{sub 3}N{sub 4}-based photocatalysts, including fundamental mechanism of heterogeneous photocatalysis, advantages, challenges and the design considerations of g-C{sub 3}N{sub 4}-based photocatalysts. The versatile properties of g-C{sub 3}N{sub 4}-based photocatalysts are highlighted, including their crystal structural, surface phisicochemical, stability, optical, adsorption, electrochemical, photoelectrochemical and electronic properties. Various design strategies are also thoroughly reviewed, including band-gap engineering, defect control, dimensionality tuning, pore texture tailoring, surface sensitization, heterojunction construction, co-catalyst and nanocarbon loading. Many important applications are also addressed, such as photocatalytic water splitting (H{sub 2} evolution and overall water

  20. Observations of environmental quenching in groups in the 11 Gyr since z = 2.5: Different quenching for central and satellite galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Tal, Tomer; Illingworth, Garth D.; Magee, Daniel [UCO/Lick Observatory, University of California, Santa Cruz, CA 95064 (United States); Dekel, Avishai [Racah Institute of Physics, The Hebrew University, Jerusalem 91904 (Israel); Oesch, Pascal; Van Dokkum, Pieter G.; Leja, Joel; Momcheva, Ivelina; Nelson, Erica J. [Yale University Astronomy Department, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Muzzin, Adam; Franx, Marijn [Leiden Observatory, Leiden University, NL-2300 RA Leiden (Netherlands); Brammer, Gabriel B. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Marchesini, Danilo [Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States); Patel, Shannon G.; Quadri, Ryan F. [Carnegie Observatories, Pasadena, CA 91101 (United States); Rix, Hans-Walter [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Skelton, Rosalind E. [South African Astronomical Observatory, Observatory Road, Cape Town (South Africa); Wake, David A. [Department of Astronomy, University of Wisconsin-Madison, Madison, WI 53706 (United States); Whitaker, Katherine E., E-mail: tal@ucolick.org [Astrophysics Science Division, Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

    2014-07-10

    We present direct observational evidence for star formation quenching in galaxy groups in the redshift range 0 < z < 2.5. We utilize a large sample of nearly 6000 groups, selected by fixed cumulative number density from three photometric catalogs, to follow the evolving quiescent fractions of central and satellite galaxies over roughly 11 Gyr. At z ∼ 0, central galaxies in our sample range in stellar mass from Milky Way/M31 analogs (M{sub *}/M{sub ☉} = 6.5 × 10{sup 10}) to nearby massive ellipticals (M{sub *}/M{sub ☉} = 1.5 × 10{sup 11}). Satellite galaxies in the same groups reach masses as low as twice that of the Large Magellanic Cloud (M{sub *}/M{sub ☉} = 6.5 × 10{sup 9}). Using statistical background subtraction, we measure the average rest-frame colors of galaxies in our groups and calculate the evolving quiescent fractions of centrals and satellites over seven redshift bins. Our analysis shows clear evidence for star formation quenching in group halos, with a different quenching onset for centrals and their satellite galaxies. Using halo mass estimates for our central galaxies, we find that star formation shuts off in centrals when typical halo masses reach between 10{sup 12} and 10{sup 13} M{sub ☉}, consistent with predictions from the halo quenching model. In contrast, satellite galaxies in the same groups most likely undergo quenching by environmental processes, whose onset is delayed with respect to their central galaxy. Although star formation is suppressed in all galaxies over time, the processes that govern quenching are different for centrals and satellites. While mass plays an important role in determining the star formation activity of central galaxies, quenching in satellite galaxies is dominated by the environment in which they reside.

  1. Substrate-dependent Au{sub x} cluster: A new insight into Au{sub x}/CeO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Kong-Jie; Yang, Yan-Ju [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Lang, Jia-Jian [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Engineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Teng, Bo-Tao, E-mail: tbt@zjnu.cn [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Wu, Feng-Min [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Du, Shi-Yu [Engineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Wen, Xiao-Dong, E-mail: wxd@sxicc.ac.cn [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China)

    2016-11-30

    Graphical abstract: 2D Au{sub x} (x < 10) on CeO{sub 2}(110) are more stable than 3D ones, while the stability trend changes for x ≥ 10; Au{sub x} (x ≤ 4) prefer to monatomically disperse on CeO{sub 2}(100) and aggregate to 3D clusters for x > 4. - Highlights: • The stable structures of Au{sub x}/CeO{sub 2} are dependent of index surfaces of CeO{sub 2}. • Au{sub x} prefers to monatomically disperse on CeO{sub 2}(100) at low coverage. • Au{sub x} aggregates to 3D clusters on CeO{sub 2}(100) at high coverage. • 2D Au{sub x} (x < 10) are more stable than the 3D ones on CeO{sub 2}(110). • The effects on the stability of Au{sub x}/CeO{sub 2} are systematically discussed. - Abstract: To theoretically study the structures of metal clusters on oxides is very important and becomes one of the most challenging works in computational heterogeneous catalysis since many factors affect their structures and lead to various possibilities. In this work, it is very interesting to find that the stable structures and stability evolution of Au{sub x} clusters on ceria are varied with different index surfaces of CeO{sub 2}. The corresponding reasons in chemical, geometric and electronic properties are systematically explored. Au{sub x} (x = 1–4) clusters prefer to separately disperse at the O-O bridge sites on CeO{sub 2}(100) due to the low coordination number of surface O; while aggregate due to the strong Au–Au attractions when x is larger than 4. Owing to the uniform distribution of O-O bridge sites on CeO{sub 2}(111) and (100), the most stable configurations of Au{sub x} are 3D structures with bottom atoms more than top ones when x is larger than 4. However, 2D configurations of Au{sub x}/CeO{sub 2}(110) (x < 10) are more stable than the corresponding 3D structures due to the particular O-O arrangement on CeO{sub 2}(110). 3D Au{sub x} clusters across O-O-Y lines are suggested as the most stable configurations for Au{sub x}/CeO{sub 2}(110) (x ≥ 10). The present

  2. Near-UV and blue wavelength excitable Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} high efficiency red phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Khanna, A. [Smart Lighting Engineering Research Center, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Electrical Computer and Systems Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Dutta, P.S., E-mail: duttap@rpi.edu [Smart Lighting Engineering Research Center, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Electrical Computer and Systems Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States)

    2015-05-15

    Red phosphors with narrow emission around 615 nm (with FWHM~5–10 nm) having chemical compositions of A{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} (A=Mg, Sr) have been found to exhibit the highest luminescence amongst the molybdate–tungstate family when excited by sources in the 380–420 nm wavelength range. Thus they are most suitable for enhancing color rendering index and lowering color temperature in phosphor converted white LEDs (pc-WLEDs) with near-UV/blue LED excitation sources. The excitation band edge in the near UV/blue wavelength in the reported phosphor has been attributed to the coordination environment of the transition metal ion (Mo{sup 6+}, W{sup 6+}) and host crystal structure. Furthermore the quantum efficiency of the phosphors has been enhanced by adjusting activator concentration, suitable compositional alloying using substitutional alkaline earth metal cations and charge compensation mechanisms. - Graphical abstract: The charge transfer excitation of orthorhombic Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} is significantly higher than tetragonal CaMoO{sub 4}: Eu{sup 3+} phosphors making Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} prime candidates for fabrication of warm white phosphor-converted LEDs. - Highlights: • LED excitable Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} phosphors were synthesized. • These phosphors are 10 times more intense than CaMoO{sub 4}: Eu{sup 3+} red phosphors. • Their intensity and efficiency were enhanced by materials optimization techniques. • Such techniques include compositional alloying, charge compensation, etc.

  3. Graphics and Animation on iOS A Beginner's Guide to Core Graphics and Core Animation

    CERN Document Server

    Nahavandipoor, Vandad

    2011-01-01

    Jazz up your iPhone and iPad apps with some slick graphics and animation-and keep users from looking elsewhere. This short and concise book shows developers with even little Cocoa programming experience how to create impressive graphics and animation effects with relatively easy coding. Learn how to incorporate smooth animations and draw images in your apps to achieve the classy look you want. The recipes in this book include step-by-step instructions and simple code solutions that you can put to work right away. Learn basic concepts for adapting to different screen sizesConstruct, set, and

  4. Deposition and characterization of graded Cu(In{sub 1-x}Ga{sub x})Se{sub 2} thin films by spray pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Babu, B.J. [Department of Electrical Engineering-SEES, CINVESTAV-IPN, Avenida IPN 2508, San Pedro Zacatenco, D.F. C.P 07360 (Mexico); Institute of Molecules and Materials, UMR-CNRS 6283, Université du Maine, Avenue O. Messiaen, F-72085 Le Mans (France); Velumani, S., E-mail: velu@cinvestav.mx [Department of Electrical Engineering-SEES, CINVESTAV-IPN, Avenida IPN 2508, San Pedro Zacatenco, D.F. C.P 07360 (Mexico); College of Information and Communication Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Kassiba, A. [Institute of Molecules and Materials, UMR-CNRS 6283, Université du Maine, Avenue O. Messiaen, F-72085 Le Mans (France); Asomoza, R. [Department of Electrical Engineering-SEES, CINVESTAV-IPN, Avenida IPN 2508, San Pedro Zacatenco, D.F. C.P 07360 (Mexico); Chavez-Carvayar, J.A. [Instituto Investigaciones en Materiales-UNAM, Ciudad Universitario, D.F.Mexico (Mexico); Yi, Junsin, E-mail: yi@yurim.skku.ac.kr [College of Information and Communication Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2015-07-15

    Cu(In{sub 1-x}Ga{sub x})Se{sub 2} (CIGS) thin films and their graded (x = 1 to 0) layer were grown on soda lime glass substrates using chemical spray pyrolysis (CSP) at different substrate temperatures (T{sub s}). After optimization of T{sub s}, depositions were carried out at different gallium composition (x) at optimized temperature of 350 °C. All the films deposited at T{sub s} ≥ 350 °C were polycrystalline chalcopyrite structure, with a preferential orientation of (112), including the graded layer. With increase in x, lattice parameters a and c were observed to decrease. Line scan of the CIGS layer showed intersection of gallium and indium concentrations, revealing the graded nature of the film. Composition dependence of Raman peak for CuInSe{sub 2} (CIS) deposited by CSP was analyzed. Optical transmittance at a wavelength of 800 nm of the film with x = 0 (CIS) (30%) was found lower than that of the film grown with x = 0.82 (CIGS) (50%). Cusp-shape of the resistivity was observed with an increase of x leading to steep rise in resistivity of the films (1.61–71.68 Ω-cm) till x = 0.42 and then decreased to 4.78 Ω-cm at x = 0.82. Carrier concentrations of the films were evaluated in the order of 10{sup 16}–10{sup 19} cm{sup −3} with p-type conductivity. These results indicate that graded CIGS thin films with modulated gallium composition can be prepared by CSP. - Graphical abstract: Display Omitted - Highlights: • Optimization of the spray deposition system for device grade chalcopyrite CIGS films. • Optimized substrate temperature to obtain single-phase CIGS by spray deposition. • Detailed report on compositional dependence of CuInSe{sub 2} (CIS) thin films. • Systematic analysis of the influence of Ga in CIS by spray deposition. • Bowing parameter is extracted from the experiment values.

  5. ISOE EG-SAM interim report - Report on behalf of the Sub expert Group

    International Nuclear Information System (INIS)

    Harris, Willie; Miller, David W.; Djeffal, Salah; Anderson, Ellen; Couasnon, Olivier; Hagemeyer, Derek; Sovijarvi, Jukka; Amaral, Marcos A.; Tarzia, J.P.; Schmidt, Claudia; Fritioff, Karin; Kaulard, Joerg; Lance, Benoit; Fritioff, Karin; Schieber, Caroline; Hayashida, Yoshihisa; Doty, Rick

    2014-01-01

    During its November 2012 meeting, the expert group decided to develop an interim (preliminary) report before the end of 2013 (with a general perspective and discussion of specific severe accident management worker dose issues), and to finalize the report by organizing the international workshop of 2014 to address national experiences, which will be incorporated to the report. The work of the EG-SAM focuses on radiation protection management and organization, radiation protection training and exercises related to severe accident management, facility configuration and readiness, worker protection, radioactive materials, contamination controls and logistics and key lessons learned especially from the TMI, Chernobyl and Fukushima Dai-ichi accidents. This interim report was completed through intensive work of all Group members nominated by the ISOE, and was accomplished during EG-SAM meetings through 2012-2013. This document gathers the different presentations given by the sub expert groups in charge of each chapter of the report

  6. Data Sorting Using Graphics Processing Units

    Directory of Open Access Journals (Sweden)

    M. J. Mišić

    2012-06-01

    Full Text Available Graphics processing units (GPUs have been increasingly used for general-purpose computation in recent years. The GPU accelerated applications are found in both scientific and commercial domains. Sorting is considered as one of the very important operations in many applications, so its efficient implementation is essential for the overall application performance. This paper represents an effort to analyze and evaluate the implementations of the representative sorting algorithms on the graphics processing units. Three sorting algorithms (Quicksort, Merge sort, and Radix sort were evaluated on the Compute Unified Device Architecture (CUDA platform that is used to execute applications on NVIDIA graphics processing units. Algorithms were tested and evaluated using an automated test environment with input datasets of different characteristics. Finally, the results of this analysis are briefly discussed.

  7. Structural, dielectric and magnetic properties of Bi{sub 0.8}Ba{sub 0.2}Fe{sub 0.6}Mn{sub 0.4}O{sub 3} ceramic

    Energy Technology Data Exchange (ETDEWEB)

    Rangi, Manisha, E-mail: mrangi100@gmail.com; Sanghi, S.; Agarwal, A.; Kaswan, K.; Jangra, S.; Singh, O. [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India)

    2016-05-23

    Polycrystalline Bi{sub 0.8}Ba{sub 0.2}Fe{sub 0.6}Mn{sub 0.4}O{sub 3} ceramic was synthesized via conventional two stage solid state reaction method. The crystal structure is examined via powder x-ray diffraction and Rietveld refinement revealed that the sample has a rhombohedral crystal structure (space group R3c). The dielectric response of the sample was analyzed in the frequency range 10 Hz to 5 MHz at different temperature. The values of dielectric constant (ε′) and dielectric loss factor (tan δ) increases with increasing temperature at different frequencies which may be the result of increase in the number of charge carriers and their mobilities due to the thermal activation. M-H hysteresis loop was recorded at room temperature up to a field of 15 kOe which shows that there is slightly enhancement in magnetization with co-doping.

  8. New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)

    Energy Technology Data Exchange (ETDEWEB)

    Pani, M.; Manfrinetti, P.; Provino, A. [INFM and Dipartimento di Chimica e Chimica Industriale, Universita‘ di Genova, Via Dodecaneso 31, 16146 Genova (Italy); Yuan, Fang; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, ON, Canada L8S 4M1 (Canada); Morozkin, A.V., E-mail: morozkin@general.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V.; Garshev, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Isnard, O. [Université Grenoble Alpes, Inst NEEL, BP166, F-38042 Grenoble (France); CNRS, Institut NEEL, 25 rue des martyrs, F-38042 Grenoble (France)

    2014-02-15

    Novel RNi{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure for R=La–Ce (tP52, space group P4/nbm N 125-1) and new YNi{sub 6}Si{sub 6}-type structure for R=Y, Sm, Gd–Yb (tP52, space group P4{sup ¯}b2N 117) that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi{sub 6}Si{sub 6} does not follow Curie–Weiss law. The DyNi{sub 6}Si{sub 6} shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μ{sub B}/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. - Graphical abstract: Novel (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure and (Y, Sm, Gd–Yb) adopt the new YNi{sub 6}Si{sub 6}-type structure that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. Display Omitted - Highlights: • The new (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure. • The new (Y, Sm, Gd–Yb)Ni{sub 6}Si{sub 6} compounds adopt the new YNi{sub 6}Si{sub 6}-type structure. • TbNi{sub 6}Si{sub

  9. Synthesis and characterization of Sr{sub 2}Ir{sub 1-x}M{sub x}O{sub 4} (M=Ti, Fe, Co) solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Gatimu, Alvin J.; Berthelot, Romain; Muir, Sean; Sleight, Arthur W. [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States); Subramanian, M.A., E-mail: mas.subramanian@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States)

    2012-06-15

    The effects of Ti, Fe and Co substitutions for Ir on the structure and on the physical properties of Sr{sub 2}IrO{sub 4} are investigated. A complete solid solution Sr{sub 2}Ir{sub 1-x}Ti{sub x}O{sub 4} is obtained while both Fe and Co doping are relatively limited. In each case however, the c-axis cell parameter and the initial IrO{sub 6} octahedra tilting decreases with substitution. Doping with Ti, Fe and Co results in a decrease of the magnetic susceptibility and in an increase in the paramagnetic effective moment for Co and Fe doped samples and a suppression of the weak ferromagnetic ordering observed for Sr{sub 2}IrO{sub 4}. - Graphical abstract: Solid solutions of Sr{sub 2}Ir{sub 1-x}M{sub x}O{sub 4} (M=Ti, Fe, Co) have been synthesized and characterized by powder X-ray diffraction, magnetism and electrical measurements. Changes in the a parameter and decreases in both the c-axis cell parameters and the initial IrO{sub 6} octahedra tilting are found to be correlated. Highlights: Black-Right-Pointing-Pointer Solid Solutions of Sr{sub 2}Ir{sub 1-x}M{sub x}O{sub 4} (M=Ti, Fe, Co) are synthesized. Black-Right-Pointing-Pointer The Sr{sub 2}Ir{sub 1-x}Ti{sub x}O{sub 4} solid solution is complete while those of Fe and Co are relatively limited. Black-Right-Pointing-Pointer The change in a cell parameter with substitution is much less than that of the c parameter. Black-Right-Pointing-Pointer Decreased tilting and the smaller size of the M cation contrastingly affect the a parameter. Black-Right-Pointing-Pointer Doping results in a suppression of the weak ferromagnetic ordering in Sr{sub 2}IrO{sub 4}.

  10. Cerebral A{sub 1} adenosine receptors (A{sub 1}AR) in liver cirrhosis

    Energy Technology Data Exchange (ETDEWEB)

    Boy, Christian [Research Centre Juelich, Brain Imaging Centre West, Institute of Medicine, Juelich (Germany); University Hospital Essen, Department of Nuclear Medicine, Essen (Germany); Meyer, Philipp T. [Research Centre Juelich, Brain Imaging Centre West, Institute of Medicine, Juelich (Germany); University Hospital Aachen, Department of Nuclear Medicine, Aachen (Germany); Kircheis, Gerald; Haussinger, Dieter [University of Duesseldorf, Clinic for Gastroenterology, Hepatology and Infectiology, Duesseldorf (Germany); Holschbach, Marcus H.; Coenen, Heinz H. [Research Centre Juelich, Institute of Nuclear Chemistry, Juelich (Germany); Herzog, Hans; Elmenhorst, David [Research Centre Juelich, Brain Imaging Centre West, Institute of Medicine, Juelich (Germany); Kaiser, Hans J. [University Hospital Aachen, Department of Nuclear Medicine, Aachen (Germany); Zilles, Karl [Research Centre Juelich, Brain Imaging Centre West, Institute of Medicine, Juelich (Germany); C. and O. Vogt Institute of Brain Research, Duesseldorf (Germany); Bauer, Andreas [Research Centre Juelich, Brain Imaging Centre West, Institute of Medicine, Juelich (Germany); University of Duesseldorf, Department of Neurology, Duesseldorf (Germany)

    2008-03-15

    The cerebral mechanisms underlying hepatic encephalopathy (HE) are poorly understood. Adenosine, a neuromodulator that pre- and postsynaptically modulates neuronal excitability and release of classical neurotransmitters via A{sub 1} adenosine receptors (A{sub 1}AR), is likely to be involved. The present study investigates changes of cerebral A{sub 1}AR binding in cirrhotic patients by means of positron emission tomography (PET) and [{sup 18}F]CPFPX, a novel selective A{sub 1}AR antagonist. PET was performed in cirrhotic patients (n = 10) and healthy volunteers (n = 10). Quantification of in vivo receptor density was done by Logan's non-invasive graphical analysis (pons as reference region). The outcome parameter was the apparent binding potential (aBP, proportional to B{sub max}/K{sub D}). Cortical and subcortical regions showed lower A{sub 1}AR binding in cirrhotic patients than in controls. The aBP changes reached statistical significance vs healthy controls (p < 0.05, U test with Bonferroni-Holm adjustment for multiple comparisons) in cingulate cortex (-50.0%), precentral gyrus (-40.9%), postcentral gyrus (-38.6%), insular cortex (-38.6%), thalamus (-32.9%), parietal cortex (-31.7%), frontal cortex (-28.6), lateral temporal cortex (-28.2%), orbitofrontal cortex (-27.9%), occipital cortex (-24.6), putamen (-22.7%) and mesial temporal lobe (-22.4%). Regional cerebral adenosinergic neuromodulation is heterogeneously altered in cirrhotic patients. The decrease of cerebral A{sub 1}AR binding may further aggravate neurotransmitter imbalance at the synaptic cleft in cirrhosis and hepatic encephalopathy. Different pathomechanisms may account for these alterations including decrease of A{sub 1}AR density or affinity, as well as blockade of the A{sub 1}AR by endogenous adenosine or exogenous xanthines. (orig.)

  11. THE USING OF GRAPHICAL EDITOR IN THE ENGINEERING GRAPHICS AND THE COURSE DESIGNING

    Directory of Open Access Journals (Sweden)

    KARPYUK L. V.

    2016-08-01

    Full Text Available The problems of learning students of the engineering and computer graphics of the course on the base of computer-aided design (CAD were described in the article. The examples of training tasks for acquiring knowledge of work in the environment of graphical editor of AutoCAD were shown. These examples are needed to perform drawings on The Engineering Graphics, and also for a graphic part of Course Projects for students of mechanical specialties.

  12. Braille and Tactile Graphics: Youths with Visual Impairments Share Their Experiences

    Science.gov (United States)

    Rosenblum, L. Penny; Herzberg, Tina S.

    2015-01-01

    Introduction: Data were collected from youths with visual impairment about their experiences with tactile graphics and braille materials used in mathematics and science classes. Methods: Youths answered questions and explored four tactile graphics made using different production methods. They located specific information on each graphic and shared…

  13. Tuning magneto-structural properties of Ni{sub 44}Co{sub 6}Mn{sub 39}Sn{sub 11} Heusler alloy ribbons by Fe-doping

    Energy Technology Data Exchange (ETDEWEB)

    Wójcik, Anna, E-mail: a.wojcik@imim.pl [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Street, 30-059 Kraków (Poland); Maziarz, Wojciech; Szczerba, Maciej J. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Street, 30-059 Kraków (Poland); Sikora, Marcin [Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Kraków (Poland); Dutkiewicz, Jan [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Street, 30-059 Kraków (Poland); Cesari, Eduard [Departament de Física, Universitat de les Illes Balears, Ctra. De Valldemossa, km 7.5, E-07122 Palma de Mallorca (Spain)

    2016-07-15

    Graphical abstract: - Highlights: • Fe substitution for Ni in Ni{sub 44}Co{sub 6}Mn{sub 39}Sn{sub 11} causes a drastic decrease of M{sub T} temperature. • The type of structure changes with increasing of iron (12M → 10M + L2{sub 1} → L2{sub 1}). • Content of Fe above 1 at.% has a negative influence on magneto-structural properties. - Abstract: Microstructure, martensitic transformation behavior and magnetic properties of Ni{sub 44−x}Fe{sub x}Co{sub 6}Mn{sub 39}Sn{sub 11} (x = 0, 1, 2 at.%) melt spun ribbons have been investigated. The influence of iron addition has been thoroughly studied by means of electron microscopy, X-ray diffraction and vibrating sample magnetometry. The results show that addition of 1 at.% of iron into quaternary Ni–Co–Mn–Sn Heusler alloy drastically decreases the martensitic transformation temperature by more than 100 K. Higher concentration of iron leads to complete suppression of martensitic transition. The structure of samples change from fully martensite (12 M) through mixed austenite-martensite (L2{sub 1} + 10 M) to fully austenite (L2{sub 1}) with increase of iron content. Addition of 1 at.% of iron leads to enhance magnetization of both austenitic and martensitic phases and also a small increase of Curie temperature occurs. The largest change of magnetic entropy under 15 kOe measured 2.9 and 0.65 J kg{sup −1} K{sup −1} for alloys where x = 0 and 1, respectively.

  14. Reversible flexible structural changes in multidimensional MOFs by guest molecules (I{sub 2}, NH{sub 3}) and thermal stimulation

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yang; Li, Libo; Yang, Jiangfeng; Wang, Shuang; Li, Jinping, E-mail: Jpli211@hotmail.com

    2015-03-15

    Three metal–organic frameworks (MOFs), [Cu(INA){sub 2}], [Cu(INA){sub 2}I{sub 2}] and [Cu(INA){sub 2}(H{sub 2}O){sub 2}(NH{sub 3}){sub 2}], were synthesized with 3D, 2D, and 0D structures, respectively. Reversible flexible structural changes of these MOFs were reported. Through high temperature (60–100 °C) stimulation of I{sub 2} or ambient temperature stimulation of NH{sub 3}, [Cu(INA){sub 2}] (3D) converted to [Cu(INA){sub 2}I{sub 2}] (2D) and [Cu(INA){sub 2}(H{sub 2}O){sub 2}(NH{sub 3}){sub 2}] (0D); as the temperature increased to 150 °C, the MOFs changed back to their original form. In this way, this 3D MOF has potential application in the capture of I{sub 2} and NH{sub 3} from polluted water and air. XRD, TGA, SEM, NH{sub 3}-TPD, and the measurement of gas adsorption were used to describe the changes in processes regarding the structure, morphology, and properties. - Graphical abstract: Through I{sub 2}, NH{sub 3} molecules and thermal stimulation, the three MOFs can achieve reversible flexible structural changes. Different methods were used to prove the flexible reversible changes. - Highlights: • [Cu(INA){sub 2}] can flexible transform to [Cu(INA){sub 2}I{sub 2}] and [Cu(INA){sub 2}(H{sub 2}O){sub 2}(NH{sub 3}){sub 2}] by adsorbing I{sub 2} or NH{sub 3}. • The reversible flexible transformation related to material source, temperature and concentration. • Potential applications for the capture of I{sub 2} and NH{sub 3} from polluted water or air.

  15. Graphics gems V (Macintosh version)

    CERN Document Server

    Paeth, Alan W

    1995-01-01

    Graphics Gems V is the newest volume in The Graphics Gems Series. It is intended to provide the graphics community with a set of practical tools for implementing new ideas and techniques, and to offer working solutions to real programming problems. These tools are written by a wide variety of graphics programmers from industry, academia, and research. The books in the series have become essential, time-saving tools for many programmers.Latest collection of graphics tips in The Graphics Gems Series written by the leading programmers in the field.Contains over 50 new gems displaying some of t

  16. Pycnometric and Spectroscopic Studies of Red Phosphors Ca{sub (1-1.5x)}{sup 2+} WO{sub 4}:Eu{sub x}{sup 3+} Ca{sub (1}-{sub 2x)}{sup 2+} WO{sub 4}:Eu{sub x}{sup 3+},Na{sub x}{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Seonwoog [Silla Univ., Busan (Korea, Republic of)

    2013-09-15

    Red phosphors Ca{sub (1-1.5x)}Eu{sub x}WO{sub 4} and Ca{sub (1-2x)}Eu{sub x}Na{sub x}WO{sub 4} were synthesized with various concentrations x of Eu{sup 3+} ions by using a solid-state reaction method. The crystal structure of the red phosphors were found to be a tetragonal scheelite structure with space group I4{sub 1}/a. X-ray diffraction (XRD) results show the (112) main diffraction peak centered at 2θ = 28.71 .deg., and indicate that there is no basic structural deformation caused by the vacancies V{sub Ca}'' or the Eu{sup 3+} (and Na{sup +}) ions in the host crystals. Densities of Ca{sub (1.1.5x)}Eu{sub x}WO{sub 4} were measured on a (helium) gas pycnometer. Comparative results between the experimental and theoretical densities reveal that Eu{sup 3+} (and Na{sup +}) ions replace the Ca{sup 2+} ions in the host CaWO{sub 4}. Also, the photoluminescence (PL) emission and photoluminescence excitation (PLE) spectra show the optical properties of trivalent Eu{sup 3+} ions, not of divalent Eu{sup 2+}. Raman spectra exhibit that, without showing any difference before and after the doping of activators to the host material CaWO{sub 4}, all the gerade normal modes occur at the identical frequencies with the same shapes and weaker intensities after the substitution. However, the FT-IR spectra show that some of the ungerade normal modes have shifted positions and different shapes, caused by different masses of Eu{sup 3+} ions (or Na{sup +} ions, or V{sub Ca}'' vacancies) from Ca2{sup +}.

  17. Ab initio investigations of the electronic structure and chemical bonding of Li{sub 2}ZrN{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Matar, S.F., E-mail: matar@icmcb-bordeaux.cnrs.fr [CNRS, Universite de Bordeaux, ICMCB, 87 Avenue du Docteur Albert Schweitzer, 33600 Pessac (France); Poettgen, R., E-mail: pottgen@uni-muenster.de [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Corrensstrasse 30, D-48149 Muenster (Germany); Al Alam, A.F., E-mail: adelalalam@usek.edu.lb [Universite Saint Esprit de Kaslik (USEK), Faculte des Sciences, URA GREVE (CNRS/USEK/UL), Jounieh (Lebanon); Ouaini, N., E-mail: naimouaini@usek.edu.lb [Universite Saint Esprit de Kaslik (USEK), Faculte des Sciences, URA GREVE (CNRS/USEK/UL), Jounieh (Lebanon)

    2012-06-15

    The electronic structure of the ternary nitride Li{sub 2}ZrN{sub 2} is examined from ab initio with DFT computations for an assessment of the properties of chemical bonding. The compound is found insulating with 1.8 eV band gap; it becomes metallic and less ionic upon removal of one equivalent of Li. The chemical interaction is found mainly between Zr and N on one hand and Li and N on the other hand. While all pair interactions are bonding, antibonding N-N interactions are found dominant at the top of the valence band of Li{sub 2}ZrN{sub 2} and they become less intense upon removal of Li. From energy differences the partial delithiation leading to Li{sub 2-x}ZrN{sub 2} (x={approx}1) is favored. - Graphical abstract: Trigonal structure of Li{sub 2}ZrN{sub 2} showing the Zr-N-Li layers along the c-axis. Highlights: Black-Right-Pointing-Pointer Li{sub 2}ZrN{sub 2} calculated insulating with a 1.8 eV gap in agreement with its light green color. Black-Right-Pointing-Pointer Lithium de-intercalation is energetically favored for one out of two Li equivalents. Black-Right-Pointing-Pointer Li plays little role in the change of the structure, ensured by Zr and N binding. Black-Right-Pointing-Pointer Similar changes in the electronic structure as for various intercalated phases of ZrN.

  18. Graphical Rasch models

    DEFF Research Database (Denmark)

    Kreiner, Svend; Christensen, Karl Bang

    Rasch models; Partial Credit models; Rating Scale models; Item bias; Differential item functioning; Local independence; Graphical models......Rasch models; Partial Credit models; Rating Scale models; Item bias; Differential item functioning; Local independence; Graphical models...

  19. Facile synthesis of Z-scheme graphitic-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} nanocomposite for enhanced visible photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Jiali [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Dai, Kai, E-mail: daikai940@chnu.edu.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Zhang, Jinfeng; Geng, Lei [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Liang, Changhao, E-mail: chliang@issp.ac.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031 (China); Liu, Qiangchun; Zhu, Guangping; Chen, Chen [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China)

    2015-12-15

    Graphical abstract: - Highlights: • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} nanocomposite photocatalyst was prepared. • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} as a typical Z-scheme photocatalyst was proved. • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} showed long reusable life with irradiation of LED light. - Abstract: The band engineering of visible-light-driven photocatalysts is a promising route for harnessing of effective solar energy to perform high chemical reactions and to treat environmental pollution. In this study, two narrow band gap semiconductor nanomaterials, graphitic carbon nitride (g-C{sub 3}N{sub 4}) and Bi{sub 2}MoO{sub 6}, were selected and coupled to form series of g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts. Their structure, light absorption wavelength range, charge transport properties and energy level were investigated. Through perfect manipulation of their composition, enhanced photocatalytic activity of the Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts with efficient reduction of recombination of photogenerated electrons and holes was achieved. The optimized Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts with 25 wt%g-C{sub 3}N{sub 4} showed apparent pseudo-first-order rate constant k{sub app} as high as 0.0688 min{sup −1}, which was 4.8 times and 8.2 times higher than that of g-C{sub 3}N{sub 4} and Bi{sub 2}MoO{sub 6} photocatalyst, respectively.

  20. Protein surface labeling reactivity of N-hydroxysuccinimide esters conjugated to Fe{sub 3}O{sub 4}@SiO{sub 2} magnetic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Pirani, Parisa; Patil, Ujwal S.; Apsunde, Tushar Dattu; Trudell, Mark L.; Cai, Yang, E-mail: ycai@chnola-research.org; Tarr, Matthew A., E-mail: mtarr@uno.edu [University of New Orleans, Department of Chemistry (United States)

    2015-09-15

    The N-hydroxysuccinimide (NHS) ester moiety is one of the most widely used amine reactive groups for covalent conjugation of proteins/peptides to other functional targets. In this study, a cleave-analyze approach was developed to quantify NHS ester groups conjugated to silica-coated iron oxide magnetic nanoparticles (Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs). The fluorophore dansylcadaverine was attached to Fe{sub 3}O{sub 4}@SiO{sub 2} magnetic nanoparticles (MNPs) via reaction with NHS ester groups, and then released from the MNPs by cleavage of the disulfide bond in the linker between the fluorophore and the MNPs moiety. The fluorophore released from Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs was fluorometrically measured, and the amount of fluorophore should be equivalent to the quantity of the NHS ester groups on the surface of Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs that participated in the fluorophore conjugation reaction. Another sensitive and semiquantitative fluorescence microscopic test was also developed to confirm the presence of NHS ester groups on the surface of Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs. Surface-conjugated NHS ester group measurements were primarily performed on Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs of 100–150 nm in diameter and also on 20-nm nanoparticles of the same type but prepared by a different method. The efficiency of labeling native proteins by NHS ester-coated Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs was explored in terms of maximizing the number of MNPs conjugated per BSA molecule or maximizing the number of BSA molecules conjugated per each nanoparticle. Maintaining the amount of fresh NHS ester moieties in the labeling reaction system was essential especially when maximizing the number of MNPs conjugated per protein molecule. The methodology demonstrated in this study can serve as a guide in labeling the exposed portions of proteins by bulky multivalent labeling reagents.

  1. Channelling study of La{sub 1−x}Sr{sub x}CoO{sub 3} films on different substrates

    Energy Technology Data Exchange (ETDEWEB)

    Szilágyi, E., E-mail: szilagyi.edit@wigner.mta.hu [Institute for Particle and Nuclear Physics, Wigner Research Centre for Physics, P.O.Box 49, H-1525 Budapest (Hungary); Kótai, E. [Institute for Particle and Nuclear Physics, Wigner Research Centre for Physics, P.O.Box 49, H-1525 Budapest (Hungary); Rata, D. [Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, D-01187 Dresden (Germany); Németh, Z.; Vankó, G. [Institute for Particle and Nuclear Physics, Wigner Research Centre for Physics, P.O.Box 49, H-1525 Budapest (Hungary)

    2014-08-01

    The cobalt oxide system LaCoO{sub 3} and its Sr-doped child compounds have been intensively studied for decades due to their intriguing magnetic and electronic properties. Preparing thin La{sub 1−x}Sr{sub x}CoO{sub 3} (LSCO) films on different substrates allows for studies with a new type of perturbation, as the films are subject to substrate-dependent epitaxial strain. By choosing a proper substrate for a thin film grow, not only compressing but also tensile strain can be applied. The consequences for the fundamental physical properties are dramatic: while compressed films are metallic, as the bulk material, films under tensile strain become insulating. The goal of this work is to determine the strain tensor in LSCO films prepared on LaAlO{sub 3} and SrTiO{sub 3} substrates by pulsed laser deposition using RBS/channelling methods. Apart from the composition and defect structure of the samples, the depth dependence of the strain tensor, the cell parameters, and the volume of the unit cell are also determined. Asymmetric behaviour of the strained cell parameters is found on both substrates. This asymmetry is rather weak in the case of LSCO film grown on LaAlO{sub 3}, while stronger on SrTiO{sub 3} substrate. The strain is more effective at the interface, some relaxation can be observed near to the surface.

  2. Synthesis of metal-adeninate frameworks with high separation capacity on C{sub 2}/C{sub 1} hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    He, Yan-Ping, E-mail: hyp041@163.com [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Zhou, Nan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Hunan GuangYi Experimental Middle School, Changsha, Hunan 410014 (China); Tan, Yan-Xi; Wang, Fei; Zhang, Jian [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2016-06-15

    By introducing isophthalic acid or 2,5-thiophenedicarboxylic acid to assemble with adenine and cadmium salt, two isostructural and anionic porous metal-organic frameworks (1 and 2) possessing the novel (4,8)-connected sqc topology are presented here. 1 shows permanent porosity with Langmuir surface area of 770.1 m{sup 2}/g and exhibits high separation capacity on C{sub 2}/C{sub 1} hydrocarbons. - Graphical abstract: The assembly between isophthalic acid, adenine ligands and Cd{sup 2+} ions leads to an anionic porous metal-organic frameworks, which shows permanent porosity and exhibits high C{sub 2}/C{sub 1} hydrocarbons separation capacity. Display Omitted.

  3. Perception in statistical graphics

    Science.gov (United States)

    VanderPlas, Susan Ruth

    There has been quite a bit of research on statistical graphics and visualization, generally focused on new types of graphics, new software to create graphics, interactivity, and usability studies. Our ability to interpret and use statistical graphics hinges on the interface between the graph itself and the brain that perceives and interprets it, and there is substantially less research on the interplay between graph, eye, brain, and mind than is sufficient to understand the nature of these relationships. The goal of the work presented here is to further explore the interplay between a static graph, the translation of that graph from paper to mental representation (the journey from eye to brain), and the mental processes that operate on that graph once it is transferred into memory (mind). Understanding the perception of statistical graphics should allow researchers to create more effective graphs which produce fewer distortions and viewer errors while reducing the cognitive load necessary to understand the information presented in the graph. Taken together, these experiments should lay a foundation for exploring the perception of statistical graphics. There has been considerable research into the accuracy of numerical judgments viewers make from graphs, and these studies are useful, but it is more effective to understand how errors in these judgments occur so that the root cause of the error can be addressed directly. Understanding how visual reasoning relates to the ability to make judgments from graphs allows us to tailor graphics to particular target audiences. In addition, understanding the hierarchy of salient features in statistical graphics allows us to clearly communicate the important message from data or statistical models by constructing graphics which are designed specifically for the perceptual system.

  4. Y-chromosomal variation in sub-Saharan Africa: insights into the history of Niger-Congo groups.

    Science.gov (United States)

    de Filippo, Cesare; Barbieri, Chiara; Whitten, Mark; Mpoloka, Sununguko Wata; Gunnarsdóttir, Ellen Drofn; Bostoen, Koen; Nyambe, Terry; Beyer, Klaus; Schreiber, Henning; de Knijff, Peter; Luiselli, Donata; Stoneking, Mark; Pakendorf, Brigitte

    2011-03-01

    Technological and cultural innovations as well as climate changes are thought to have influenced the diffusion of major language phyla in sub-Saharan Africa. The most widespread and the richest in diversity is the Niger-Congo phylum, thought to have originated in West Africa ∼ 10,000 years ago (ya). The expansion of Bantu languages (a family within the Niger-Congo phylum) ∼ 5,000 ya represents a major event in the past demography of the continent. Many previous studies on Y chromosomal variation in Africa associated the Bantu expansion with haplogroup E1b1a (and sometimes its sublineage E1b1a7). However, the distribution of these two lineages extends far beyond the area occupied nowadays by Bantu-speaking people, raising questions on the actual genetic structure behind this expansion. To address these issues, we directly genotyped 31 biallelic markers and 12 microsatellites on the Y chromosome in 1,195 individuals of African ancestry focusing on areas that were previously poorly characterized (Botswana, Burkina Faso, Democratic Republic of Congo, and Zambia). With the inclusion of published data, we analyzed 2,736 individuals from 26 groups representing all linguistic phyla and covering a large portion of sub-Saharan Africa. Within the Niger-Congo phylum, we ascertain for the first time differences in haplogroup composition between Bantu and non-Bantu groups via two markers (U174 and U175) on the background of haplogroup E1b1a (and E1b1a7), which were directly genotyped in our samples and for which genotypes were inferred from published data using linear discriminant analysis on short tandem repeat (STR) haplotypes. No reduction in STR diversity levels was found across the Bantu groups, suggesting the absence of serial founder effects. In addition, the homogeneity of haplogroup composition and pattern of haplotype sharing between Western and Eastern Bantu groups suggests that their expansion throughout sub-Saharan Africa reflects a rapid spread followed by

  5. 2 D 1/2 graphical benchmark

    International Nuclear Information System (INIS)

    Brochard, P.; Colin De Verdiere, G.; Nomine, J.P.; Perros, J.P.

    1993-01-01

    Within the framework of the development of a new version of the Psyche software, the author reports a benchmark study on different graphical libraries and systems and on the Psyche application. The author outlines the current context of development of graphical tools which still lacks of standardisation. This makes the comparison somehow limited and finally related to envisaged applications. The author presents the various systems and libraries, test principles, and characteristics of machines. Results and interpretations are then presented with reference to faced problems

  6. Synthesis of efficient silica supported TiO{sub 2}/Ag{sub 2}O heterostructured catalyst with enhanced photocatalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Zelekew, Osman Ahmed; Kuo, Dong-Hau, E-mail: dhkuo@mail.ntust.edu.tw; Yassin, Jemal Mohammed; Ahmed, Kedir Ebrahim; Abdullah, Hairus

    2017-07-15

    Graphical abstract: Proposed charge separation mechanism and degradation of dye with photocatalyst under light irradiation. - Highlights: • n-type TiO{sub 2} inside and p-type Ag{sub 2}O outside was designed. • The p–n junction formation built in an electric field. • The p–n junction facilitates the electrons and holes separation. • The degradation of dye becomes more effective with Ag{sub 2}O/TiO{sub 2} catalyst. - Abstract: We develop the n-type TiO{sub 2} coated on SiO{sub 2} support abbreviated as SiO{sub 2}/TiO{sub 2} (ST) followed by deposition of p-type Ag{sub 2}O nanoparticles outside for the purpose of photocatalytic degradation of organic pollutants. Different composite catalysts were prepared with changing the amount AgNO{sub 3} (such as 0%, 5%, 10%, 20%, and 30%) and the composites were abbreviated as ST, STA-5, STA-10, STA-20, and STA-30, respectively. The composite catalysts were characterized with different techniques and tested for Rhodamine B (RhB) dye degradation under UV and visible light. Among the composite catalysts, the degradation efficiency of STA-20 was the highest and it degraded about 99% within 40 min under UV light-irradiation. However, the ST, STA-5, STA-10, and STA-30 composite catalysts could degrade about 21%, 47%, 58%, and 75% of the dye, respectively. Furthermore, the STA-5, STA-10, STA-20, and STA-30 composites were also tested and about 39%, 47%, 57%, and 42% of the dye, respectively, was degraded under visible light source. Hence, the formation of p–n junction heterostructure between n-type TiO{sub 2} and p-type Ag{sub 2}O could enhance the degradation of RhB in both UV and visible light irradiation. It could be also potentially applicable photocatalyst for environmental remediation.

  7. Representations of Patients' Experiences of Autonomy in Graphic Medicine.

    Science.gov (United States)

    Tschaepe, Mark

    2018-02-01

    I advocate using graphic medicine in introductory medical ethics courses to help trainees learn about patients' experiences of autonomy. Graphic narratives about this content offer trainees opportunities to gain insights into making diagnoses and recommending treatments. Graphic medicine can also illuminate aspects of patients' experiences of autonomy differently than other genres. Specifically, comics allow readers to consider visual and text-based representations of a patient's actions, speech, thoughts, and emotions. Here, I use Ellen Forney's Marbles: Mania, Depression, Michelangelo, and Me: A Graphic Memoir and Peter Dunlap-Shohl's My Degeneration: A Journey Through Parkinson's as two examples that can serve as pedagogical resources. © 2018 American Medical Association. All Rights Reserved.

  8. First-principles calculation on electronic structure and optical property of BaSi{sub 2}O{sub 2}N{sub 2}:Eu{sup 2+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Tong, Zhi-Fang, E-mail: tongzhifang1998@126.com; Wei, Zhan-Long; Xiao, Cheng

    2017-04-15

    The crystal structure, electronic structure and optical properties of BaSi{sub 2}O{sub 2}N{sub 2}:Eu{sup 2+} with varying Eu doping concentrations are computed by the density functional theory (DFT) and compared with experimental results. The results show that the lattice parameters of primitive cells of Ba{sub 1−x}Si{sub 2}O{sub 2}N{sub 2}:Eu{sub x} become smaller and Eu–N bond length shortens as Eu concentration increases. The band structure of Ba{sub 1−x}Si{sub 2}O{sub 2}N{sub 2}:Eu{sub x} exhibits a direct optical band gap and it's propitious to luminescence. The energy differences from the lowest Eu 5d state to the lowest Eu 4f state decrease with increasing Eu concentrations. The analysis of simulative absorption spectra indicates that the electron transition from Eu 4f states to 5d states of both Eu and Ba atoms contributes to the absorption of Ba{sub 1−x}Si{sub 2}O{sub 2}N{sub 2}:Eu{sub x}. Under the coupling effect between Eu and Ba, Ba in BaSi{sub 2}O{sub 2}N{sub 2} exhibits longer wavelength absorption and increases absorption efficiency. The emission wavelength is deduced by measuring energy differences from the lowest Eu 5d state to the lowest Eu 4f state, and the result is in good agreement with experimental value within experimental Eu{sup 2+} doping range. - Graphical abstract: The structure and optical property of BaSi{sub 2}O{sub 2}N{sub 2}:Eu{sup 2+} are computed by DFT and its absorption mechanism is analysed. Results show that absorption peak α is from the host lattice absorption. The absorption peaks β, γ and δ are from Eu 4f to Eu 5d and Ba 6s 5d states. The absorption is attributed to the coupling effect of Eu and Ba atom. - Highlights: • The crystal, electronic structure and optical properties of BaSi{sub 2}O{sub 2}N{sub 2}:Eu{sup 2+} are computed by DFT. • The lattice parameters of primitive cells reduces and Eu–N bond length shortens as Eu{sup 2+} increases. • The energy gap from Eu 5d state to Eu 4f state

  9. The computer graphics metafile

    CERN Document Server

    Henderson, LR; Shepherd, B; Arnold, D B

    1990-01-01

    The Computer Graphics Metafile deals with the Computer Graphics Metafile (CGM) standard and covers topics ranging from the structure and contents of a metafile to CGM functionality, metafile elements, and real-world applications of CGM. Binary Encoding, Character Encoding, application profiles, and implementations are also discussed. This book is comprised of 18 chapters divided into five sections and begins with an overview of the CGM standard and how it can meet some of the requirements for storage of graphical data within a graphics system or application environment. The reader is then intr

  10. The computer graphics interface

    CERN Document Server

    Steinbrugge Chauveau, Karla; Niles Reed, Theodore; Shepherd, B

    2014-01-01

    The Computer Graphics Interface provides a concise discussion of computer graphics interface (CGI) standards. The title is comprised of seven chapters that cover the concepts of the CGI standard. Figures and examples are also included. The first chapter provides a general overview of CGI; this chapter covers graphics standards, functional specifications, and syntactic interfaces. Next, the book discusses the basic concepts of CGI, such as inquiry, profiles, and registration. The third chapter covers the CGI concepts and functions, while the fourth chapter deals with the concept of graphic obje

  11. Programación de gráficos 3D con Mathematica, DrawGraphics, CurvesGraphics, LiveGraphics3D y JavaView

    OpenAIRE

    Mora Flores, Walter; Instituto Tecnológico de Costa Rica; Figueroa, Geovanni; Instituto Tecnológico de Costa Rica

    2015-01-01

    Se muestra como integrar las herramientas: Mathematica (y los paquetes DrawGraphics y CurvesGraphics), LiveGraphics3D, JavaView y html, para crear algunas figuras 3D las cuales se pueden incrustar en páginas Web independientes y con posibilidad de interacción.

  12. Maxwell Strata and Cut Locus in the Sub-Riemannian Problem on the Engel Group

    Science.gov (United States)

    Ardentov, Andrei A.; Sachkov, Yuri L.

    2017-12-01

    We consider the nilpotent left-invariant sub-Riemannian structure on the Engel group. This structure gives a fundamental local approximation of a generic rank 2 sub-Riemannian structure on a 4-manifold near a generic point (in particular, of the kinematic models of a car with a trailer). On the other hand, this is the simplest sub-Riemannian structure of step three. We describe the global structure of the cut locus (the set of points where geodesics lose their global optimality), the Maxwell set (the set of points that admit more than one minimizer), and the intersection of the cut locus with the caustic (the set of conjugate points along all geodesics). The group of symmetries of the cut locus is described: it is generated by a one-parameter group of dilations R+ and a discrete group of reflections Z2 × Z2 × Z2. The cut locus admits a stratification with 6 three-dimensional strata, 12 two-dimensional strata, and 2 one-dimensional strata. Three-dimensional strata of the cut locus are Maxwell strata of multiplicity 2 (for each point there are 2 minimizers). Two-dimensional strata of the cut locus consist of conjugate points. Finally, one-dimensional strata are Maxwell strata of infinite multiplicity, they consist of conjugate points as well. Projections of sub-Riemannian geodesics to the 2-dimensional plane of the distribution are Euler elasticae. For each point of the cut locus, we describe the Euler elasticae corresponding to minimizers coming to this point. Finally, we describe the structure of the optimal synthesis, i. e., the set of minimizers for each terminal point in the Engel group.

  13. Evaluate humidity sensing properties of novel TiO{sub 2}–WO{sub 3} composite material

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Wang-De [Department of Applied Chemistry, Providence University, Taichung 43301 Taiwan, ROC (China); Department of Center for General Education, St. Mary' s Junior College of Medicine, Nursing and Management, Yilan 26644 Taiwan, ROC (China); Lai, De-Sheng; Chen, Min-Hung [Department of Applied Chemistry, Providence University, Taichung 43301 Taiwan, ROC (China); Wu, Ren-Jang, E-mail: rjwu@pu.edu.tw [Department of Applied Chemistry, Providence University, Taichung 43301 Taiwan, ROC (China); Chen, Fu-Chou [Department of Medical Research, Taichung Veterans General Hospital, Taichung 407, Taiwan, ROC (China)

    2013-10-15

    Graphical abstract: TiO{sub 2}–WO{sub 3} (1:1) showed better humidity sensing properties than others within the range of 12–90% relative humidity (RH), the response and recovery time were about 20 s and 160 s, respectively. Compared to the previous studies, the prepared sensor exhibits higher sensitivity (S = 451) and the low hysteresis value was around 0.13% at 32% RH. - Highlights: • Novel TiO{sub 2}–WO{sub 3} composite material was prepared for humidity sensor. • The sensor exhibits higher sensitivity (S = 451). • Low hysteresis value was around 0.13% at 32% RH. - Abstract: A novel TiO{sub 2}–WO{sub 3} composite material was prepared using a different proportion of TiO{sub 2} and WO{sub 3} to that investigated in previous studies. The obtained mesoporous material was characterized using X-ray diffraction, Fourier transform infrared spectrometry, transmission electron microscopy, energy dispersive X-ray spectroscopy, and N{sub 2} adsorption-desorption techniques. The humidity-sensing properties were measured using an inductance, capacitance and resistance analyzer. The results demonstrated that the TiO{sub 2}–WO{sub 3} sample with a ratio of 1:1 showed better humidity sensing properties. Compared to previous studies, the prepared sensor exhibited higher sensitivity (S = 451) and the lower hysteresis value was around 0.13% at 32% RH. Complex impedance analysis indicated that the enhanced humidity sensitivity was probably due to spherical Brunauer–Emmett–Teller surface area and the hetero-junction between TiO{sub 2}–WO{sub 3} thin films, while the impedance varied about three orders of magnitude. Our results demonstrated the potential application of TiO{sub 2}–WO{sub 3} composite for fabricating high performance humidity sensors.

  14. Hexagonal perovskites with cationic vacancies. 21. Structure of Ba/sub 4/Nb/sub 2/WvacantO/sub 12/ and Ba/sub 3/LaNb/sub 3/vacantO/sub 12/

    Energy Technology Data Exchange (ETDEWEB)

    Rother, H J; Kemmler-Sack, S; Treiber, U; Cyris, W R [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1980-07-01

    Compounds of type Ba/sub 4/M/sub 2/sup(V)WvacantO/sub 12/ and Ba/sub 3/LaM/sub 3/sup(V)vacantO/sub 12/ with Msup(V) = Nb, Ta belong to the group of rhombohedral 12 L stacking polytypes (space group R-3m, sequence (hhcc)/sub 3/). The structure determinations on powder patterns for the Nb compounds gave a refined, intensity related R' value of 6.3% (Ba/sub 4/Nb/sub 2/WvacantO/sub 12/) and 6.6% (Ba/sub 3/LaNb/sub 3/vacantO/sub 12/). The octahedral net consists of blocks of three face connected octahedra with a central void (M/sub 2/vacantO/sub 12/ unit), which are linked to each other through single corner sharing octahedra. In both compounds the M atoms in the M/sub 2/vacantO/sub 12/ groups are displaced in the direction of the central void. The A atoms move in the same direction but the dislocation for A in the hexagonal packed sheets (neighbouring the vacancies) is stronger than in the cubic packed AO/sub 3/ sheets. The results of the vibrational spectroscopic investigations are reported for Ba/sub 4/Nb/sub 2/WvacantO/sub 12/, Ba/sub 4/Ta/sub 2/WvacantO/sub 12/, Ba/sub 3/LaNb/sub 3/vacantO/sub 12/ and Ba/sub 4/CeW/sub 2/vacantO/sub 12/; they are discussed in connection with the factor group analysis.

  15. NO{sub x} reduction by coke deposited on Pt/Al{sub 2}O{sub 3} in an oxidizing medium; Elimination des NO{sub x} par le coke depose sur Pt/Al{sub 2}O{sub 3} en milieu oxydant

    Energy Technology Data Exchange (ETDEWEB)

    Lunati, S

    1997-12-12

    NO{sub x} reduction by coke deposited on Pt/Al{sub 2}O{sub 3} was studied in excess oxygen. Continuous analysis of the effluent was performed with a mass spectrometer. The coking reaction was carried out under reducing conditions with two different coking agents: cyclopentane and heptanal. In general, NO{sub x} reduction by coke deposited on Pt/Al{sub 2}O{sub 3} occurs in a wide temperature range (200 deg Csub 2} ({approx}80%). Results show that the coke reducing ability and the temperature window depend closely on the chemical nature of the carbon deposits. Thereby, a coke made from heptanal which contains oxygenated functions (carbonyl and hydroxyl groups) within the carbon structure, is more selective and reduce NO{sub x} at lower temperature than a coke made from cyclopentane which does not contain these functional groups. Based on our results, we proposed a `dual-site` reaction for NO{sub x} reduction on coked Pt/Al{sub 2}O{sub 3} catalyst. Platinum allows O{sub 2} activation by dissociative adsorption, and NO{sub 2} formation by oxidation of NO. NO{sub x} reduction occurs on carbon deposits. Reaction between NO{sub x} and coke leads to the formation of N-containing species which are decomposed in CI{sub 2}, H{sub 2}O, N{sub 2} and N{sub 2}O by reaction with activated O{sub 2}. (author) 205 refs.

  16. Different sorbents in calcium looping cycle for CO{sub 2} capture

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Cong; Zheng, Ying; Ding, Ning [Huazhong Univ. of Science and Technology, Wuhan (China). State Key Lab. of Coal Combustion

    2013-07-01

    Cyclic CO{sub 2} capture using commercial pure micro CaCO{sub 3} and nano CaCO{sub 3} is investigated in this paper which focuses on the different characteristics two different sorbents during high temperature reactions. The results indicate that the nano CaCO{sub 3} sorbent has higher carbonation conversions and carbonation rates than the micro CaCO{sub 3} sorbent in the cyclic reactions. Furthermore, nano sorbent can retain its fast carbonation rates at the beginning dozens of seconds during each cycle. In contrast, the carbonation rates of micro sorbent diminish with the increase of cycle number. But, unfortunately, CaO derived from nano CaCO3 sorbent sinter much easily. Its grains, which are composed of numerous spherical nanocrystallites, experience dramatic morphological changes during high temperature reactions.

  17. Microstructural studies of La{sub 10.7}Ca{sub 0.3}MnO{sub 3} (LCMO) films on different (110) substrates deposited by pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Tse, Y Y; Jones, I P [School of Engineering, Department of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Chakalov, R I; Muirhead, C M; Palai, R [School of Physics and Astronomy, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Huhtinen, H [Department of Physics, University of Turku, Turku (Finland)], E-mail: y.y.tse@bham.ac.uk

    2008-08-15

    La{sub 0.7}Ca{sub 0.3}MnO{sub 3} (LCMO) films grown on (110) surfaces of various (pseudo-) cubic substrates, SrTiO{sub 3} (STO), LaAlO{sub 3} (LAO) and La{sub 0.3}Sr{sub 0.7}Al{sub 0.5}Ta{sub 0.35}O{sub 3} (LSAT), were studied by means of transmission electron microscopy (TEM). (110) LSAT substrate and LCMO film have the smallest lattice mismatch. (110) LAO substrate induces compressive strain while (110) STO induces tensile strain in the LCMO film. In all cases, the (010){sub 0} plane (long axis) of LCMO is parallel to the substrate surface. In the case of LSAT, the [001]{sub 0} is parallel to [011] LSAT while the films on the other 2 substrates have [100]{sub 0}// to the [011] substrates. Films grown on STO and LAO show an easy magnetisation when the applied magnetic field is in plane along the long-axis of the LCMO. In the case of LSAT, there is no in-plane anisotropy. The films on STO and LAO have twins as the dominant defects. The film on LSAT has less twining. High resolution TEM shows that LCMO on (110) LSAT (the least lattice mismatch) possesses a perfect interface with no misfit dislocations in the area of examination. The LCMO films on (110) LAO and (110) STO have nearly perfect interfaces with atomic sharpness but with misfit dislocations. The different in-plane crystal directions and strain distributions in the films may account for the different magnetisation behaviours of the LCMO films on the different (011) substrates.

  18. The low-temperature structural behavior of sodium 1-carba-closo-decaborate: NaCB{sub 9}H{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Hui, E-mail: hui.wu@nist.gov [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102 (United States); Tang, Wan Si [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102 (United States); Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742-2115 (United States); Zhou, Wei [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102 (United States); Tarver, Jacob D. [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102 (United States); National Renewable Energy Laboratory, Golden, CO 80401 (United States); Stavila, Vitalie [Energy Nanomaterials, Sandia National Laboratories, Livermore, CA 94551 (United States); Brown, Craig M. [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102 (United States); Udovic, Terrence J., E-mail: udovic@nist.gov [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102 (United States)

    2016-11-15

    Two ordered phases of the novel solid superionic conductor sodium 1-carba-closo-decaborate (NaCB{sub 9}H{sub 10}) were identified via synchrotron x-ray powder diffraction in combination with first-principles calculations and neutron vibrational spectroscopy. A monoclinic packing of the large ellipsoidal CB{sub 9}H{sub 10}{sup −} anions prevails at the lowest temperatures, but a first-order transformation to a slightly modified orthorhombic packing is largely complete by 240 K. The CB{sub 9}H{sub 10}{sup −} anion orientational alignments and Na{sup +} cation interstitial sitings in both phases are arranged so as to minimize the cation proximities to the uniquely more positive C-bonded H atoms of the anions. These results provide valuable structural information pertinent to understanding the relatively low-temperature, entropy-driven, order-disorder phase transition for this compound. - Graphical abstract: Ordered monoclinic and orthorhombic NaCB{sub 9}H{sub 10} phases were determined by XRD and DFT computations and corroborated by neutron vibrational spectroscopy. - Highlights: • Two T-dependent ordered structures of Na(1-CB{sub 9}H{sub 10}) were determined by XRD. • The lower-T monoclinic to higher-T orthorhombic transition occurs from 210 to 240 K. • The main structural differences involve changes in the canting of the CB{sub 9}H{sub 10}{sup −} anions. • DFT and neutron vibrational spectroscopy corroborate the lower-T monoclinic structure. • The results are important for understanding the nature of this superionic conductor.

  19. Mathematical structures for computer graphics

    CERN Document Server

    Janke, Steven J

    2014-01-01

    A comprehensive exploration of the mathematics behind the modeling and rendering of computer graphics scenes Mathematical Structures for Computer Graphics presents an accessible and intuitive approach to the mathematical ideas and techniques necessary for two- and three-dimensional computer graphics. Focusing on the significant mathematical results, the book establishes key algorithms used to build complex graphics scenes. Written for readers with various levels of mathematical background, the book develops a solid foundation for graphics techniques and fills in relevant grap

  20. Synthesis, crystal and electronic structures and optical properties of (HIm)<sub>2sub> Hg<sub>3sub>Cl>8sub> and (HIm)HgI<sub>3sub> (HIm = imidazolium)

    Energy Technology Data Exchange (ETDEWEB)

    Nhalil, Hariharan [Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry; Whiteside, Vincent R. [Univ. of Oklahoma, Norman, OK (United States). Homer L. Dodge Dept. of Physics & Astronomy; Sellers, Ian R. [Univ. of Oklahoma, Norman, OK (United States). Homer L. Dodge Dept. of Physics & Astronomy; Ming, Wenmei [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Du, Mao-Hua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Saparov, Bayrammurad [Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry

    2017-11-22

    Here, we report synthesis, crystal and electronic structures, and optical properties of two new Hg-based zero-dimensional hybrid organic-inorganic halides (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium). (HIm)<sub>2sub>Hg>3sub>Cl>8sub> crystallizes in the triclinic P-1 space group with a pseudo-layered structure made of organic imidazolium cation layers and anionic inorganic layers containing [Hg<sub>2sub>Cl>6sub>]2- units and linear [HgCl<sub>2sub>]0 molecules. (HIm)HgI<sub>3sub> crystallizes in the monoclinic P2<sub>1sub>/c space group featuring anionic [HgI<sub>3sub>]- units that are surrounded by imidazolium cations. Based on density functional theory calculations, (HIm)<sub>2sub>Hg>3sub>Cl>8sub> has an indirect band gap, whereas (HIm)HgI<sub>3sub> has a direct band gap with the measured onsets of optical absorption at 3.43 and 2.63 eV, respectively. (HIm)<sub>2sub>Hg>3sub>Cl>8sub> and (HIm)HgI<sub>3sub> are broadband light emitters with broad photoluminescence peaks centered at 548 nm (2.26 eV) and 582 nm (2.13 eV), respectively. In conclusion, following the crystal and electronic structure considerations, the PL peaks are assigned to self-trapped excitons.

  1. Nano/micro Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} crystallites: Size dependent structural, second harmonic and piezoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Tukaram, Shet; Bhimireddi, Rajasekhar; Varma, K.B.R., E-mail: kbrvarma@mrc.iisc.ernet.in

    2016-09-15

    Graphical abstract: Synthesis of Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} nano/micro crystallites and their size dependent non-linear optical and piezoelectric responses. - Highlights: • Nano/microcrystallites of Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} were synthesized via sol-gel route. • Crystallite size dependent structural and physical properties were studied. • SHG intensity (1.4 times that of KDP powder) from these crystallites was recorded. • PFM studies on isolated crystallite of 480 nm exhibited d{sub 33} as high as 27 pm/V. • Single domain nature of the crystallites below 160 nm was observed. - Abstract: Strontium bismuth titanate (Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18}) powders comprising crystallites of average sizes in the range of 94–1400 nm were prepared via citrate-assisted sol-gel route. With an increase in the average crystallite size there was a change in the lattice parameters and shift in the Raman vibration modes. Second harmonic signal (532 nm) intensity of the Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} powders increased with the increase in the average crystallite size and the maximum intensity obtained in the reflection mode was 1.4 times as high as that of the powdered KH{sub 2}PO{sub 4}. Piezo Force Microscopic analyses carried out on isolated crystallite of size 74 nm, established a single domain nature with the coercive field as high as 347 kV/cm. There was a systematic increase in the d{sub 33} value with an increase in the size of the isolated crystallites and a high piezoelectric coefficient of ∼27 pm/V was obtained from an isolated crystallite of size 480 nm.

  2. Influence of semiconductor surface preparation on photoelectric properties of Al-Zn{sub 3}P{sub 2} contacts

    Energy Technology Data Exchange (ETDEWEB)

    Mirowska, Nella [Institute of Physics, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)]. E-mail: nella.mirowska@pwr.wroc.pl; Misiewicz, Jan [Institute of Physics, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)

    2006-06-15

    The Schottky barriers formed by Al on Zn{sub 3}P{sub 2} p-type crystals have been studied. Three types of crystals (monocrystal, large-grain crystal and polycrystal) were used for device fabrication. The samples were separated in two groups according to the type of structure and the methods of surface preparation. The samples from the first group were different in structure (monocrystal, large-grain crystal and polycrystals) but prepared in the same way. Three polycrystals with differently prepared surfaces were collected in the second group. Two samples from this group were also annealed in open air at 523 K for 24 h. Measurements of photovoltaic effect at room temperature were carried out to test the impact of surface preparation on photoelectric properties of Al-Zn{sub 3}P{sub 2} contacts. Substantial differences in shape and intensity of PV signal were observed depending on whether the surface of semiconductor was mechanically polished, chemically etched or/and heat treated. The height of potential barrier, {phi} {sub B}, and optical transitions in semiconductor were determined. The value of {phi} {sub B} changed from 0.747 to 0.767 eV for unheated samples and from 0.724 to 0.755 eV for the heated ones. The quality of semiconductor surface seems to have an essential influence on spectral characteristics of Al-Zn{sub 3}P{sub 2} junctions, especially in the case of polycrystals. It appeared that thorough preliminary mechanical polishing of crystals surface provides quite good photoelectric properties of Al-Zn{sub 3}P{sub 2} junctions.

  3. Enhanced magnetic and ferroelectric properties in scandium doped nano Bi{sub 2}Fe{sub 4}O{sub 9}

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, Dimple P., E-mail: dimpled@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Sudakar, C.; Mocherla, Pavana S.V. [Department of Physics, IIT Madras, Chennai 600 036 (India); Mandal, Balaji P.; Jayakumar, Onnatu D. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Tyagi, Avesh K., E-mail: aktyagi@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2012-08-15

    In this study we report the synthesis of undoped and Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles using sonochemical technique. X-ray diffraction reveals that all samples are single phase with no impurities detected. EDS analysis was done to confirm the extent of Sc{sup 3+} doping in the samples. The size and morphology of the nanoparticles have been analyzed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles show a weak ferromagnetic behavior at room temperature, which is quite different from the linear M-H relationship reported for bulk Bi{sub 2}Fe{sub 4}O{sub 9}. A magnetization of 0.144 {mu}B/f.u. is obtained at 300 K, which is mainly attributed to the uncompensated moments at the disordered particle surface resulting from the reduced coordination of the surface spins, arising due to lattice strain or oxygen deficiency. Addition of Sc{sup 3+} dopant in varying concentrations in these Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles, improves their magnetic as well as ferroelectric properties. The leakage current is considerably reduced and electric polarization increases significantly in case of Bi{sub 2}Fe{sub 4(1-x)}Sc{sub x}O{sub 9} (x = 0.1) nanoparticles. Thus it can be inferred that Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles shows promise as good multiferroic materials. -- Graphical abstract: Undoped and Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles have been synthesized using sonochemical technique. The bi-functionalities of Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles have been demonstrated. The Bi{sub 2}Fe{sub 4(1-x)}Sc{sub x}O{sub 9} (x = 0.1) nanoparticles showed enhanced magnetic and ferroelectric properties with considerably less lossy characteristics compared to the bulk Bi{sub 2}Fe{sub 4}O{sub 9}. Highlights: Black-Right-Pointing-Pointer Phase pure Bi{sub 2}Fe{sub 4}O{sub 9} nanostructures synthesized using a facile

  4. Reusable sunlight activated photocatalyst Ag{sub 3}PO{sub 4} and its significant antibacterial activity

    Energy Technology Data Exchange (ETDEWEB)

    Thiyagarajan, Shankar; Singh, Sarika; Bahadur, D., E-mail: dhirenb@iitb.ac.in

    2016-04-15

    A simple and surfactant free soft chemical approach is adopted for the successful synthesis of Ag{sub 3}PO{sub 4} nanoparticles (NPs) at room temperature. The obtained Ag{sub 3}PO{sub 4} NPs are nearly spherical in shape with a size of 250 ± 50 nm. These NPs are highly efficient for the degradation of three organic dyes (methylene blue, rhodamine B and methyl orange) under four different types of light sources. In this case, the superior photocatalytic activity is mainly driven by singlet oxygen radicals and it is confirmed through the electron spin resonance (ESR) spin trapping technique, using several quenchers/sources. Notably, these NPs have the ability to absorb large portion of solar spectrum and therefore it displays higher efficiency under sunlight as compared to UV-C light and a 60 W household compact fluorescence lamp (CFL). Furthermore, these NPs exhibit excellent colloidal stability and recycling capability for the degradation of dyes. In addition, it possesses significant antibacterial activity with complete inhibition of bacterial pathogen, Escherichia coli at a very low concentration (0.01 mg/mL) after a mere 15 min of incubation time. The inhibition of bacterial growth is also suggested from the generation of intracellular reactive oxygen species (ROS) in E. coli by fluorescence microscopy. Thus, these NPs may provide a potential outcome for the environmental remediation. - Graphical abstract: Schematic representation of the mechanism involved in photodegradation of organic dyes and inhibition of bacterial growth using Ag{sub 3}PO{sub 4} nanoparticles. - Highlights: • Excellent catalytic activity for dyes degradation under different light sources. • Mechanism involving catalyst mediated ROS generation in photocatalysis suggested. • Good recycling capability of Ag{sub 3}PO{sub 4} even after the fifth cycles. • Extraordinary antibacterial activity of Ag{sub 3}PO{sub 4} after a very short incubation time. • Detection of intracellular

  5. Rh promoted La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} perovskite catalysts: Characterization and catalytic performance for methane partial oxidation to synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Palcheva, R., E-mail: radost@ic.bas.bg [InGAP Centre for Research-based Innovation, SMN, University of Oslo, PO Box 1033, Blindern, Oslo 0315 Norway (Norway); Olsbye, U.; Palcut, M. [InGAP Centre for Research-based Innovation, SMN, University of Oslo, PO Box 1033, Blindern, Oslo 0315 Norway (Norway); Rauwel, P. [Department of Physics, SMN, University of Oslo, PO Box B 1048 Blindern, Oslo 0316 (Norway); Tyuliev, G.; Velinov, N. [Institute of Catalysis, Bulgarian Academy of Sciences, G. Bonchev Str., Bldg. 11, Sofia 1113 (Bulgaria); Fjellvåg, H.H. [InGAP Centre for Research-based Innovation, SMN, University of Oslo, PO Box 1033, Blindern, Oslo 0315 Norway (Norway)

    2015-12-01

    Graphical abstract: - Highlights: • Perovskites type-oxide La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} (x = 0.1, 0.25, 0.4) prepared by the sol–gel citrate method. • Bulk and surface analysis to determine catalysts composition evolution. • Anaerobic catalytic partial oxidation of methane to syngas at 600 °C in a pulse apparatus over Rh promoted perovskites. • The catalysts showed high stability and selectivity. - Abstract: Synthesis gas production via selective oxidation of methane at 600 °C in a pulse reaction over La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} (x = 0.1, 0.25, 0.4) perovskite-supported rhodium catalysts, was investigated. The perovskite oxides were prepared by sol–gel citrate method and characterized by X-ray Diffraction (XRD), Moessbauer Spectroscopy (MS), Temperature Programmed Reduction (TPR-H{sub 2}), X-ray Photoelectron Spectroscopy (XPS) and High Resolution Transmission Electron Microscopy (HRTEM). According to XRD analysis, the synthesized samples were a single perovskite phase. The perovskite structure of Ga substituted samples remained stable after TPR-H{sub 2}, as confirmed by XRD. Data of MS identified Fe{sup 3+} ions in two distinctive coordination environments, and Fe{sup 4+} ions. The Rh{sub 2}O{sub 3} thin overlayer was detected by the HRTEM for the Rh impregnated perovskite oxides. During the interaction of methane with oxidized perovskite-supported Rh (0.5 wt.%) catalysts, besides CO, H{sub 2}, and surface carbon, CO{sub 2} and H{sub 2}O were formed. The Rh perovskite catalyst with x = 0.25 gallium exhibits the highest catalytic activity of 83% at 600 °C. The CO selectivity was affected by the reducibility of La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} perovskite materials.

  6. A facile fabrication of plasmonic g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag ternary heterojunction visible-light photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Kai, E-mail: daikai940@chnu.edu.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China); Lv, Jiali [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China); Lu, Luhua, E-mail: lhlu@cug.edu.cn [Faculty of Material Science and Chemical Engineering, China University of Geosciences, Wuhan, 430074 (China); Liang, Changhao [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China); Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei, 230031 (China); Geng, Lei; Zhu, Guangping [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China)

    2016-07-01

    It's important to reduce recombination of electrons and holes and enhance charge transfer through fine controlled interfacial structure. In this work, novel graphitic-C{sub 3}N{sub 4} (g-C{sub 3}N{sub 4})/Ag{sub 2}WO{sub 4}/Ag ternary photocatalyst has been synthesized by deposition of Ag{sub 2}WO{sub 4} onto g-C{sub 3}N{sub 4} template and followed by sun light reduction of Ag{sub 2}WO{sub 4} into Ag{sub 2}WO{sub 4}/Ag. As-prepared g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag presented significantly enhanced photocatalytic performance in degrading methylene blue (MB) under 410 nm LED light irradiation. Metallic Ag{sup 0} is used as plasmonic hot spots to generate high energy charge carriers. Optimal g-C{sub 3}N{sub 4} content has been confirmed to be 40 wt%, corresponding to apparent pseudo-first-order rate constant kapp of 0.0298 min{sup −1}, which is 3.3 times and 37.3 times more than that of pure g-C{sub 3}N{sub 4} and Ag{sub 2}WO{sub 4}, respectively. This novel ternary g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag structure material is an ideal candidate in environmental treatment and purifying applications. - Graphical abstract: A high efficient plasmonic graphitic-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag ternary nanocomposite photocatalyst was synthesized. - Highlights: • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag ternary nanocomposite photocatalyst was prepared. • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag showed high photocatalytic activity. • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag showed long reusable life.

  7. Exploration on anion ordering, optical properties and electronic structure in K{sub 3}WO{sub 3}F{sub 3} elpasolite

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, Novosibirsk 630090 (Russian Federation); Lin, Z.S., E-mail: zslin@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Molokeev, M.S. [Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Yelisseyev, A.P.; Zhurkov, S.A. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation)

    2012-03-15

    Room-temperature modification of potassium oxyfluorotungstate, G2-K{sub 3}WO{sub 3}F{sub 3}, has been prepared by low-temperature chemical route and single crystal growth. Wide optical transparency range of 0.3-9.4 {mu}m and forbidden band gap E{sub g}=4.32 eV have been obtained for G2-K{sub 3}WO{sub 3}F{sub 3} crystal. Meanwhile, its electronic structure has been calculated with the first-principles calculations. The good agreement between the theorectical and experimental results have been achieved. Furthermore, G2-K{sub 3}WO{sub 3}F{sub 3} is predicted to possess the relatively large nonlinear optical coefficients. - Graphical abstract: Using the cm-size K{sub 3}WO{sub 3}F{sub 3} crystal (left upper), the transmission spectrum (right upper) and XPS valence electronic states (left lower) were measured, agreed with the ab initio results (right lower). Highlights: Black-Right-Pointing-Pointer The cm-size G2-K{sub 3}WO{sub 3}F{sub 3} single crystals are obtained. Black-Right-Pointing-Pointer Optical absorption edge and transmission range are defined for G2-K{sub 3}WO{sub 3}F{sub 3} crystal. Black-Right-Pointing-Pointer Crystal structures of all known K{sub 3}WO{sub 3}F{sub 3} polymorph modifications are determined. Black-Right-Pointing-Pointer Experimental electronic structure is consistent with the first-principles result. Black-Right-Pointing-Pointer G2-K{sub 3}WO{sub 3}F{sub 3} is predicted as a crystal with large NLO coefficients.

  8. Interactive and Animated Scalable Vector Graphics and R Data Displays

    Directory of Open Access Journals (Sweden)

    Deborah Nolan

    2012-01-01

    Full Text Available We describe an approach to creating interactive and animated graphical displays using R's graphics engine and Scalable Vector Graphics, an XML vocabulary for describing two-dimensional graphical displays. We use the svg( graphics device in R and then post-process the resulting XML documents. The post-processing identities the elements in the SVG that correspond to the different components of the graphical display, e.g., points, axes, labels, lines. One can then annotate these elements to add interactivity and animation effects. One can also use JavaScript to provide dynamic interactive effects to the plot, enabling rich user interactions and compelling visualizations. The resulting SVG documents can be embedded withinHTML documents and can involve JavaScript code that integrates the SVG and HTML objects. The functionality is provided via the SVGAnnotation package and makes static plots generated via R graphics functions available as stand-alone, interactive and animated plots for the Web and other venues.

  9. Crystal structure and thermoelectric properties of clathrate, Ba{sub 8}Ni{sub 3.5}Si{sub 42.0}: Small cage volume and large disorder of the guest atom

    Energy Technology Data Exchange (ETDEWEB)

    Roudebush, John H., E-mail: jhr@princeton.edu [Department of Chemistry, University of California, One Shields Ave., Davis, CA 95616 (United States); Orellana, Mike [Department of Chemistry, University of California, One Shields Ave., Davis, CA 95616 (United States); Bux, Sabah [Thermal Energy Conversion Technologies Group, Jet Propulsion Laboratory/California Institute of Technology, Pasadena, CA 91109 (United States); Yi Tanghong; Kauzlarich, Susan M. [Department of Chemistry, University of California, One Shields Ave., Davis, CA 95616 (United States)

    2012-08-15

    Samples with the type-I clathrate composition Ba{sub 8}Ni{sub x}Si{sub 46-x} have been synthesized and their structure and thermoelectric properties characterized. Microprobe analysis indicates the Ni incorporation to be 2.62{<=}x{<=}3.53. The x=3.5 phase crystallizes in the type-I clathrate structure (space group: Pm-3n) with a lattice parameter of 10.2813(3) A. The refined composition was Ba{sub 8}Ni{sub 3.5}Si{sub 42.0}, with small vacancies, 0.4 and 0.5 atoms per formula unit, at the 2a and 6c sites, respectively. The position of the Ba2 atom in the large cage was modeled using a 4-fold split position (24j site), displaced 0.18 A from the cage center (6d site). The volume of the large cage is calculated to be 146 A{sup 3}, smaller than other clathrates with similar cation displacement. The sample shows n-type behavior with a maximum of -50 {mu}V/K at 823 K above which the Seebeck coefficient decreases, suggesting mixed carriers. Lattice thermal conductivity, {kappa}{sub l}, is 55 mW/K above 600 K. - Graphical abstract: Seebeck coefficient and resistivity of the type-I clathrate Ba{sub 8}Ni{sub 3.5}Si{sub 41.0}. Structure show's large displacement of the Ba cation in the large cage (6c site). Highlights: Black-Right-Pointing-Pointer Crystal structure of the Ba{sub 8}Ni{sub 3.5}Si{sub 41.0} reported. Black-Right-Pointing-Pointer Vacancies at the 2a and 6c sites. Black-Right-Pointing-Pointer Large disorder of Ba guest atom, 0.18 A from cage center. Black-Right-Pointing-Pointer Structure is compared to Ba{sub 8}Si{sub 46} and other type-I clathrates. Black-Right-Pointing-Pointer Max Seebeck of -50.7 {mu}V/C at 798.4 K, thermal conductivity {approx}55 mW/K.

  10. Improvement in surface hydrophilicity and resistance to deformation of natural leather through O{sub 2}/H{sub 2}O low-temperature plasma treatment

    Energy Technology Data Exchange (ETDEWEB)

    You, Xuewei; Gou, Li, E-mail: gouli@scu.edu.cn; Tong, Xingye

    2016-01-01

    Graphical abstract: - Highlights: • O{sub 2}/H{sub 2}O can increase oxygen concentration in the plasma compared to the pure O{sub 2} atmosphere. • Pores at the surface of natural leather became larger and deeper with enhanced permeability of water. • The initial water contact angle was about 21°. • Its preferable surface hydrophilicity kept for 3 days, which gives guidance for next process. • The elongation of the treated sample for 10 min was twice as large as that of the untreated sample. - Abstract: The natural leather was modified through O{sub 2}/H{sub 2}O low-temperature plasma treatment. Surface morphology was characterized by scanning electron microscopy (SEM) and the results showed that the pores on the leather surface became deeper and larger with enhanced permeability of water and vapor. XPS and FTIR-ATR was performed to determine the chemical composition of natural leather surface. Oxygen-containing groups were successfully grafted onto the surface of natural leather and oxygen content increased with longer treatment time. After O{sub 2}/H{sub 2}O plasma treatment, initial water contact angle was about 21° and water contact angles were not beyond 55° after being stored for 3 days. Furthermore, the tensile test indicated that the resistance to deformation had a prominent transform without sacrificing the tensile strength.

  11. Synthesis, microstructure and magnetic properties of Fe{sub 3}Si{sub 0.7}Al{sub 0.3}@SiO{sub 2} core–shell particles and Fe{sub 3}Si/Al{sub 2}O{sub 3} soft magnetic composite core

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jian, E-mail: snove418562@163.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Fan, Xi’an, E-mail: groupfxa@163.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Wu, Zhaoyang, E-mail: wustwuzhaoyang@163.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Li, Guangqiang [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan, Hubei 430081 (China)

    2015-11-15

    Fe{sub 3}Si{sub 0.7}Al{sub 0.3}@SiO{sub 2} core–shell particles and Fe{sub 3}Si/Al{sub 2}O{sub 3} soft magnetic composite core have been synthesized via a modified stöber method combined with following high temperature sintering process. Most of conductive Fe{sub 3}Si{sub 0.7}Al{sub 0.3} particles could be uniformly coated by insulating SiO{sub 2} using the modified stöber method. The Fe{sub 3}Si{sub 0.7}Al{sub 0.3}@SiO{sub 2} core–shell particles exhibited good soft magnetic properties with low coercivity and high saturation magnetization. The reaction 4Al+3SiO{sub 2}=2α-Al{sub 2}O{sub 3}+3Si took place during the sintering process. As a result the new Fe{sub 3}Si/Al{sub 2}O{sub 3} composite was formed. The Fe{sub 3}Si/Al{sub 2}O{sub 3} composite core displayed more excellent soft magnetic properties, better frequency stability at high frequencies, much higher electrical resistivity and lower core loss than the pure Fe{sub 3}Si{sub 0.7}Al{sub 0.3} core. The method of introducing insulating layers surrounding magnetic particles provides a promising route to develop new and high compact soft magnetic materials with good magnetic and electric properties. - Graphical abstract: In Fe{sub 3}Si/Al{sub 2}O{sub 3} composite, Fe{sub 3}Si phases are separated by Al{sub 2}O{sub 3} layers and the eddy currents are confined in Fe{sub 3}Si phases, thus increasing resistivity and reducing core loss. - Highlights: • Fe{sub 3}Si{sub 0.7}Al{sub 0.3}@SiO{sub 2} core–shell particles and Fe{sub 3}Si/Al{sub 2}O{sub 3} cores were prepared. • Fe{sub 3}Si{sub 0.7}Al{sub 0.3} particles could be uniformly coated by nano-sized SiO{sub 2} clusters. • Fe{sub 3}Si{sub 0.7}Al{sub 0.3}@SiO{sub 2} particles and Fe{sub 3}Si/Al{sub 2}O{sub 3} cores showed good soft magnetic properties. • Fe{sub 3}Si/Al{sub 2}O{sub 3} had lower core loss and better frequency stability than Fe{sub 3}Si{sub 0.7}Al{sub 0.3} cores.

  12. Graphics Gems III IBM version

    CERN Document Server

    Kirk, David

    1994-01-01

    This sequel to Graphics Gems (Academic Press, 1990), and Graphics Gems II (Academic Press, 1991) is a practical collection of computer graphics programming tools and techniques. Graphics Gems III contains a larger percentage of gems related to modeling and rendering, particularly lighting and shading. This new edition also covers image processing, numerical and programming techniques, modeling and transformations, 2D and 3D geometry and algorithms,ray tracing and radiosity, rendering, and more clever new tools and tricks for graphics programming. Volume III also includes a

  13. History-dependent thermal expansion in NbO{sub 2}F

    Energy Technology Data Exchange (ETDEWEB)

    Wilkinson, Angus P., E-mail: angus.wilkinson@chemistry.gatech.edu [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400 (United States); School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States); Josefsberg, Ryan E.; Gallington, Leighanne C.; Morelock, Cody R.; Monaco, Christopher M. [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400 (United States)

    2014-05-01

    Materials with cubic ReO{sub 3}-type structures are of interest for their low or negative thermal expansion characteristics. TaO{sub 2}F is known to display almost zero thermal expansion over a wide temperature range. On heating NbO{sub 2}F, its volume coefficient of thermal expansion decreases from ∼+45 ppm K{sup −1} at 100 K to almost zero at 400 K. NbO{sub 2}F is cubic between 100 and 500 K. Samples of “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying contain hydroxyl defects and metal vacancies. On heating, they can undergo irreversible chemical changes while maintaining a cubic ReO{sub 3}-type structure. The possibility of hydroxyl defect incorporation should be considered when preparing oxyfluorides for evaluation as battery materials. - Graphical abstract: “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in HF contains cation vacancies and hydroxyl groups. It undergoes irreversible changes on heating to low temperatures, unlike NbO{sub 2}F prepared by the solid state reaction of Nb{sub 2}O{sub 5} and NbF{sub 5}. - Highlights: • The digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying does not produce NbO{sub 2}F. • The ReO{sub 3}-type product from the HF digestion of Nb{sub 2}O{sub 5} contains metal vacancies and hydroxyl. • The thermal expansion coefficient of NbO{sub 2}F decreases on heating and approaches zero at ∼400 K.

  14. Exploring Topsnut-Graphical Passwords by Twin Odd-elegant Trees

    Directory of Open Access Journals (Sweden)

    Wang Hong-yu

    2017-01-01

    Full Text Available Graphical passwords are facing a good opportunity as 2-dimension codes are accepted by many people, since it has been applied in mobile devices, electronic equipments with touch screen, and so on. QR codes can be considered as a type of graphical passwords. Topsnut-graphical password differs from the existing graphical passwords, and has been investigated and developed. In this article, a new type of Topsnut-graphical passwords has been designed by technique of graph theory, called twin odd-elegant labelling. We make the twin odd-elegant graphs for one-key vs two or more locks (conversely, one-lock vs two or more keys. These Topsnut-GPWs show perfect matching characteristics of locks (TOE-lock-models and keys (TOE-key-models. We show examples for testing our methods which can be easily transformed into effective algorithms.

  15. High-temperature behavior of dicesium molybdate Cs{sub 2}MoO{sub 4}: Implications for fast neutron reactors

    Energy Technology Data Exchange (ETDEWEB)

    Wallez, Gilles, E-mail: gilles.wallez@upmc.fr [Institut de Recherche de Chimie Paris, CNRS—Chimie ParisTech, 11 rue Pierre et Marie Curie, 75005 Paris (France); Université Pierre et Marie Curie, 4 place Jussieu, 75005 Paris (France); Raison, Philippe E., E-mail: philippe.raison@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, 76125 Karlsruhe (Germany); Smith, Anna L., E-mail: anna.smith@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, 76125 Karlsruhe (Germany); Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Clavier, Nicolas, E-mail: nicolas.clavier@cea.fr [ICSM–UMR5257 CNRS/CEA/UM2/ENSCM, Site de Marcoule, Bât 426, BP 17171, 30207 Bagnols/Cèze (France); Dacheux, Nicolas, E-mail: nicolas.dacheux@cea.fr [ICSM–UMR5257 CNRS/CEA/UM2/ENSCM, Site de Marcoule, Bât 426, BP 17171, 30207 Bagnols/Cèze (France)

    2014-07-01

    Dicesium molybdate (Cs{sub 2}MoO{sub 4})'s thermal expansion and crystal structure have been investigated herein by high temperature X ray diffraction in conjunction with Raman spectroscopy. This first crystal-chemical insight at high temperature is aimed at predicting the thermostructural and thermomechanical behavior of this oxide formed by the accumulation of Cs and Mo fission products at the periphery of nuclear fuel rods in sodium-cooled fast reactors. Within the temperature range of the fuel's rim, Cs{sub 2}MoO{sub 4} becomes hexagonal P6{sub 3}/mmc, with disordered MoO{sub 4} tetrahedra and 2D distribution of Cs–O bonds that makes thermal axial expansion both large (50≤α{sub l}≤70 10{sup −6} °C{sup −1}, 500–800 °C) and highly anisotropic (α{sub c}−α{sub a}=67×10{sup −6} °C{sup −1}, hexagonal form). The difference with the fuel's expansion coefficient is of potential concern with respect to the cohesion of the Cs{sub 2}MoO{sub 4} surface film and the possible release of cesium radionuclides in accidental situations. - Graphical abstract: The weakness of the Cs–O bonds and the disordering of the MoO{sub 4} tetrahedra array in the high-temperature form are responsible for the huge thermal expansion of Cs{sub 2}MoO{sub 4} along the c-axis. - Highlights: • Thermomechanical behavior of Cs{sub 2}MoO{sub 4} fission products compound is studied. • High-temperature form of Cs{sub 2}MoO{sub 4} is characterized by XRD and Raman. • Thermal expansion appears very high and anisotropic. • Cohesion between Cs{sub 2}MoO{sub 4} and nuclear fuel seems questionable, and Cs release is expected.

  16. In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO{sub 4}.0.667H{sub 2}O to the hexagonal LnPO{sub 4} (Ln = Nd, Sm, Gd, Eu and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Mesbah, Adel, E-mail: adel.mesbah@cea.fr [ICSM, UMR 5257 CNRS – CEA – ENSCM – Université de Montpellier, Site de Marcoule - Bât 426, BP 17171, 30207 Bagnols/Cèze (France); Clavier, Nicolas [ICSM, UMR 5257 CNRS – CEA – ENSCM – Université de Montpellier, Site de Marcoule - Bât 426, BP 17171, 30207 Bagnols/Cèze (France); Elkaim, Erik [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Szenknect, Stéphanie; Dacheux, Nicolas [ICSM, UMR 5257 CNRS – CEA – ENSCM – Université de Montpellier, Site de Marcoule - Bât 426, BP 17171, 30207 Bagnols/Cèze (France)

    2017-05-15

    The dehydration process of the hydrated rhabdophane LnPO{sub 4}.0.667H{sub 2}O (Ln = La to Dy) was thoroughly studied over the combination of in situ high resolution synchrotron powder diffraction and TGA experiments. In the case of SmPO{sub 4}.0.667H{sub 2}O (monoclinic, C2), a first dehydration step was identified around 80 °C leading to the formation of SmPO{sub 4}.0.5H{sub 2}O (Monoclinic, C2) with Z =12 and a =17.6264(1) Å, b =6.9704(1) Å, c =12.1141(1) Å, β=133.74(1) °, V =1075.33(1) Å{sup 3}. In agreement with the TGA and dilatometry experiments, all the water molecules were evacuated above 220 °C yielding to the anhydrous form, which crystallizes in the hexagonal P3{sub 1}21 space group with a =7.0389(1) Å, c =6.3702(1) Å and V =273.34(1) Å{sup 3}. This study was extended to selected LnPO{sub 4}.0.667H{sub 2}O samples (Ln= Nd, Gd, Eu, Dy) and the obtained results confirmed the existence of two dehydration steps before the stabilization of the anhydrous form, with the transitory formation of LnPO{sub 4}.0.5H{sub 2}O. - Graphical abstract: The dehydration process of the rhabdophane SmPO{sub 4}.0.667H{sub 2}O was studied over combination of in situ high resolution synchrotron powder diffraction and TGA techniques, a first dehydration was identified around 80 °C leading to the formation of SmPO{sub 4}.0.5H{sub 2}O (Monoclinic, C2). Then above 220 °C, the anhydrous form of the rhabdophane SmPO{sub 4} was stabilized and crystallizes in the hexagonal P3{sub 1}21 space group. - Highlights: • In situ synchrotron powder diffraction was carried out during the dehydration of the rhabdopahe LnPO{sub 4}.0.667H{sub 2}O. • The heat of the rhabdophane LnPO{sub 4}.0.667H{sub 2}O leads to LnPO{sub 4}.0.5H{sub 2}O then to anhydrous rhabdophane LnPO{sub 4}. • LnPO{sub 4}.0.5H{sub 2}O (monoclinic, C2) and LnPO{sub 4} (Hexagonal, P3{sub 1}21) were solved over the use of direct methods.

  17. Tuning of normal and inverse magnetocaloric effect in Sm{sub 0.35}Pr{sub 0.15}Sr{sub 0.5}MnO{sub 3} phase separated manganites

    Energy Technology Data Exchange (ETDEWEB)

    Giri, S.K. [Department of Physics, Indian Institute of Technology, Kharagpur, West Bengal 721302 (India); Dasgupta, Papri; Poddar, A. [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, West Bengal (India); Nath, T.K., E-mail: tnath@phy.iitkgp.ernet.in [Department of Physics, Indian Institute of Technology, Kharagpur, West Bengal 721302 (India)

    2015-05-15

    Graphical abstract: ΔS{sub M} vs. T plots of nano (left) and bulk (right) samples at different magnetic fields. - Highlights: • Bulk to nano show first order FM → PM phase transition at low magnetic field. • Bulk sample exhibits normal and inverse MCE around T{sub C} and after T{sub g}, respectively. • The value of ΔS{sub M} at T{sub C} is almost three times larger than at T{sub g}. • The value of ΔS{sub M} also decreases with reduction of particles sizes. • The bulk sample also exhibits a large RCP of 43.5 J/kg for a magnetic field of 1 T. - Abstract: Magnetic and magnetocaloric properties of Sm{sub 0.35}Pr{sub 0.15}Sr{sub 0.5}MnO{sub 3} polycrystalline manganite (bulk and nanometric samples) are investigated in detail. It has been observed that all the particle sizes (bulk to nano) show first order ferromagnetic → paramagnetic phase transition at low magnetic field. Ferromagnetic transition temperature also decreases with decreasing the particle size. This suggests that ferromagnetism is weakened and the first order magnetic phase transition is softened. We have investigated the magnetocaloric effect (MCE) of both bulk and nanometric samples around their spin glass-like transition temperature, T{sub g} and Curie temperature, T{sub C}. It has been found that bulk sample exhibits both normal (i.e., negative ΔS{sub M}) and inverse (i.e., positive ΔS{sub M}) MCE around T{sub C} and after T{sub g}, respectively. The value of ΔS{sub M} (+3.17 J kg{sup −1} K{sup −1}) at T{sub C} is almost three times larger than at T{sub g} (ΔS{sub M} = −0.52 J kg{sup −1} K{sup −1}) for a magnetic field change of 7 T. The bulk sample also exhibits a large relative cooling power (RCP) of 43.5 J/kg for a magnetic field of 1 T. The corresponding adiabatic temperature change of bulk sample is observed to be ∼1.5 K for a magnetic field change of 3 T. The value of ΔS{sub M} also decreases with reduction of particles sizes. The temperature width of ΔS{sub M

  18. New high-pressure polymorph of In{sub 2}S{sub 3} with defect Th{sub 3}P{sub 4}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Xiaojing; Zhu, Feng; Wu, Ye; Huang, Rong [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: xiang.wu@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Zhang, Qian [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Yang, Ke [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Qin, Shan, E-mail: sqin@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China)

    2014-02-15

    The high pressure behavior of β-In{sub 2}S{sub 3} (I4{sub 1}/amd and Z=16) has been studied by in situ synchrotron radiation X-ray diffraction combined with diamond anvil cell up to 71.7 GPa. Three pressure-induced phase transitions are evidenced at ∼6.6 GPa, ∼11.1 GPa at room temperature and 35.6 GPa after the high-temperature annealing using a portable laser heating system. The new polymorph of In{sub 2}S{sub 3} at 35.6 GPa is assigned to the denser cubic defect Th{sub 3}P{sub 4} structure (I4¯3d and Z=5.333), whose unit-cell parameters are a=7.557(1) Å and V=431.6(2) Å{sup 3}. The Th{sub 3}P{sub 4}-type phase can be stable at least up to 71.7 GPa and cannot be preserved at ambient pressure. The pressure–volume relationship is well described by the second-order Birch–Murnaghan Equation of State, which yields B{sub 0}=63(3) GPa and B{sub 0}′=4 (fixed) for the β-In{sub 2}S{sub 3} phase and B{sub 0}=87(3) GPa and B{sub 0}′=4 (fixed) for the defect Th{sub 3}P{sub 4}-type phase respectively. - Graphical abstract: The structure and Rietveld refinement of new polymorph the defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3}. This structure was observed at 35.6 GPa after laser heating by X-ray diffraction. Display Omitted - Highlights: Three pressure-induced phase transitions of β-In{sub 2}S{sub 3} were observed. β-In{sub 2}S{sub 3} was stable up to 6.6 GPa. The defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} was identified at 35.6 GPa after laser heating and was stable up to 71.7 GPa. Elastic properties of β-In{sub 2}S{sub 3} and Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} are well presented by Birch–Murnaghan EoS.

  19. Local and average structure of Mn- and La-substituted BiFeO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Bo; Selbach, Sverre M., E-mail: selbach@ntnu.no

    2017-06-15

    The local and average structure of solid solutions of the multiferroic perovskite BiFeO{sub 3} is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO{sub 3}. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions. - Graphical abstract: The experimental and simulated partial pair distribution functions (PDF) for BiFeO{sub 3}, BiFe{sub 0.875}Mn{sub 0.125}O{sub 3}, BiFe{sub 0.75}Mn{sub 0.25}O{sub 3} and Bi{sub 0.9}La{sub 0.1}FeO{sub 3}.

  20. Graphic notation

    DEFF Research Database (Denmark)

    Bergstrøm-Nielsen, Carl

    1992-01-01

    Texbook to be used along with training the practise of graphic notation. Describes method; exercises; bibliography; collection of examples. If you can read Danish, please refer to that edition which is by far much more updated.......Texbook to be used along with training the practise of graphic notation. Describes method; exercises; bibliography; collection of examples. If you can read Danish, please refer to that edition which is by far much more updated....

  1. Graphics gems

    CERN Document Server

    Glassner, Andrew S

    1993-01-01

    ""The GRAPHICS GEMS Series"" was started in 1990 by Andrew Glassner. The vision and purpose of the Series was - and still is - to provide tips, techniques, and algorithms for graphics programmers. All of the gems are written by programmers who work in the field and are motivated by a common desire to share interesting ideas and tools with their colleagues. Each volume provides a new set of innovative solutions to a variety of programming problems.

  2. Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe{sub 4}Si{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Gourdon, Olivier, E-mail: gourdono@lanl.gov [Los Alamos Neutron Scattering Center, National Laboratory, Los Alamos, NM 87545 (United States); Gottschlich, Michael; Persson, Joerg [Jülich Center for Neutron Science JCNS-2 and Peter Grünberg Institut PGI-4, JARA-FIT, Forschungszentrum Jülich 52425 Jülich (Germany); Cruz, Clarina de la [Quantum Condensed Matter Division, Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Petricek, Vaclav [Institute of Physics ASCR v.v.i., Na Slovance 2, 182 21 Prague (Czech Republic); McGuire, Michael A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Brückel, Thomas [Jülich Center for Neutron Science JCNS-2 and Peter Grünberg Institut PGI-4, JARA-FIT, Forschungszentrum Jülich 52425 Jülich (Germany)

    2014-08-15

    The intermetallic compound MnFe{sub 4}Si{sub 3} has been studied by high-resolution Time of Flight (TOF) neutron powder diffraction. MnFe{sub 4}Si{sub 3} crystallizes in the hexagonal space group P6{sub 3}/mcm with lattice constants of a=b=6.8043(4) Å and c=4.7254(2) Å at 310 K. Magnetic susceptibility measurements show clearly the magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. Magnetic structure refinements based on neutron powder diffraction data with and without external magnetic field reveal strong evidence on the origin of the large magnetocaloric effect (MCE) in this material as a partial reordering of the spins between ∼270 K and 300 K. In addition, electronic structure calculations using the self-consistent, spin-polarized Tight Binding-Linear MuffinTin Orbital (TB-LMTO) method were also accomplished to address the “coloring problem” (Mn/Fe site preference) as well as the unique ferromagnetic behavior of this intermetallic compound. - Graphical abstract: Theoretical and experimental reinvestigation of the magnetic structure of MnFe{sub 4}Si{sub 3} for a better understanding of its large magnetocaloric effect (MCE). - Highlights: • Strong magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. • MCE associated to a partial reordering of the spins between ∼270 K and 300 K. • DFT calculations show strong relation between MCE and spintronic materials.

  3. Two anhydrous zeolite X crystal structures, Pd sub 1 sub 8 Tl sub 5 sub 6 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 and Pd sub 2 sub 1 Tl sub 5 sub 0 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4

    CERN Document Server

    Yoon, B Y; Lee, S H; Kim, Y

    2001-01-01

    The crystal structures of fully dehydrated Pd sup 2 sup + - and Tl sup + -exchanged zeolite X, Pd sub 1 sub 8 Tl sub 5 sub 6 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 (Pd sub 1 sub 8 Tl sub 5 sub 6 X, a = 24.935(4) A) and Pd sub 2 sub 1 Tl sub 5 sub 0 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 (Pd sub 2 sub 1 Tl sub 5 sub 0 -X, a = 24.914(4) A), have been determined by single-crystal X-ray diffraction methods in the cubic space group Fd3 at 21(1) .deg. C. The crystals were prepared using an exchange solution that had a Pd(NH sub 3) sub 4 Cl sub 2 : TINO sub 3 mole ratio of 50 : 1 and 200 : 1, respectively, with a total concentration of 0.05 M for 4 days. After dehydration at 360 .deg. C and 2 x 10 sup - sup 6 Torr in flowing oxygen for 2 days, the crystals were evacuated at 21(1) .deg. C for 2 hours. They were refined to the final error indices R sub 1 = 0.045 and R sub 2 = 0.038 with 344 reflections for Pd sub 1 sub 8 Tl sub 5 sub 6 -X, and R sub 1 = 0.043 and R sub 2 = 0.045 with ...

  4. Improving g-C{sub 3}N{sub 4} photocatalysis for NO{sub x} removal by Ag nanoparticles decoration

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yanjuan [Air Environmental Modelling and Pollution Controlling Key Laboratory of Sichuan Higher Education Institutes, College of Resources and Environment, Chengdu University of Information Technology, Chengdu 610225 (China); Chongqing Key Laboratory of Catalysis and Functional Organic Molecules, College of Environmental and Biological Engineering, Chongqing Technology and Business University, Chongqing 400067 (China); Xiong, Ting; Ni, Zilin [Chongqing Key Laboratory of Catalysis and Functional Organic Molecules, College of Environmental and Biological Engineering, Chongqing Technology and Business University, Chongqing 400067 (China); Liu, Jie [Air Environmental Modelling and Pollution Controlling Key Laboratory of Sichuan Higher Education Institutes, College of Resources and Environment, Chengdu University of Information Technology, Chengdu 610225 (China); Dong, Fan, E-mail: dfctbu@126.com [Air Environmental Modelling and Pollution Controlling Key Laboratory of Sichuan Higher Education Institutes, College of Resources and Environment, Chengdu University of Information Technology, Chengdu 610225 (China); Chongqing Key Laboratory of Catalysis and Functional Organic Molecules, College of Environmental and Biological Engineering, Chongqing Technology and Business University, Chongqing 400067 (China); Zhang, Wei, E-mail: andyzhangwei@163.com [Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714 (China); Ho, Wing-Kei [Department of Science and Environmental Studies, The Centre for Education in Environmental Sustainability, The Hong Kong Institute of Education, Hong Kong (China)

    2015-12-15

    Graphical abstract: Ag/g-C{sub 3}N{sub 4} nanocomposites were prepared via a facile method for enhanced photocatalytic NO{sub x} removal due to surface plasmon resonance of Ag. - Highlights: • The Ag/g-C{sub 3}N{sub 4} nanocomposites were prepared using urea as the precursor. • The Ag/g-C{sub 3}N{sub 4} nanocomposites were applied in removal of NO{sub x} in air. • The Ag nanoparticles enhanced the photocatalytic activity of g-C{sub 3}N{sub 4}. • The surface plasmon resonance of Ag played a key role in photocatalysis. - Abstract: In order to overcome the intrinsic drawback of pristine g-C{sub 3}N{sub 4}, we prepared g-C{sub 3}N{sub 4} nanosheets with enhanced photocatalytic performance by Ag nanoparticles decoration using urea as the precursor. It was revealed that the monodispersed Ag nanoparticles were deposited on the surface of g-C{sub 3}N{sub 4} nanosheets. The Ag/g-C{sub 3}N{sub 4} nanocomposites were applied in removal of NO{sub x} in air under visible light irradiation. The results showed that the decoration of Ag nanoparticles not only enhanced the photocatalytic activity of g-C{sub 3}N{sub 4} nanosheets, but also benefited the oxidation of NO to final products. The increased visible light absorption arising from the surface plasmon resonance of Ag and improved separation and transfer of photoinduced carriers over Ag/g-C{sub 3}N{sub 4} composites were demonstrated by the UV–vis diffuse reflectance spectra and photoluminescence spectra, respectively. It was therefore proposed that the enhanced photocatalytic activity of Ag/g-C{sub 3}N{sub 4} composites could be attributed to the extended light response range and enhanced charge separation due to the introduction of Ag nanoparticles.

  5. The joint graphical lasso for inverse covariance estimation across multiple classes.

    Science.gov (United States)

    Danaher, Patrick; Wang, Pei; Witten, Daniela M

    2014-03-01

    We consider the problem of estimating multiple related Gaussian graphical models from a high-dimensional data set with observations belonging to distinct classes. We propose the joint graphical lasso , which borrows strength across the classes in order to estimate multiple graphical models that share certain characteristics, such as the locations or weights of nonzero edges. Our approach is based upon maximizing a penalized log likelihood. We employ generalized fused lasso or group lasso penalties, and implement a fast ADMM algorithm to solve the corresponding convex optimization problems. The performance of the proposed method is illustrated through simulated and real data examples.

  6. Crystal chemistry of M{sup II}M′{sup IV}(PO{sub 4}){sub 2} double monophosphates

    Energy Technology Data Exchange (ETDEWEB)

    Bregiroux, Damien, E-mail: damien.bregiroux@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Collège de France, Laboratoire de Chimie de la Matière Condensée de Paris, 11 place Marcelin Berthelot, 75005 Paris (France); Popa, Karin [“Al.I. Cuza” University, Department of Chemistry, 11-Carol I Blvd., 700506 Iasi (Romania); Wallez, Gilles [Institut de Recherche de Chimie Paris (IRCP), CNRS – Chimie ParisTech – Paris Sciences et Lettres PSL UMR8247, 11 rue Pierre et Marie Curie, 75005 Paris (France); Sorbonne Universités, UPMC Univ Paris 06 (France)

    2015-10-15

    M{sup II}M′{sup IV}(PO{sub 4}){sub 2} compounds have been extensively studied for several decades for their potential applications in the field of several domains such as matrices for actinides conditioning, phosphors etc. In this paper, the relationships between composition and crystal structure of these compounds are established. A review of the various processes used for the synthesis of these compounds is also proposed, as well as their most reported properties. M{sup II}M′{sup IV}(PO{sub 4}){sub 2} structures stem from two different archetypes: the cheralite and the yavapaiite structures, with some exceptions that are also described in this article. The ratio of the cations radii appears to be the most relevant parameter. The high ratio between the ionic radii of the divalent and tetravalent cations in yavapaiite derivates results in the ordering of these cations into well-differentiated polyhedra whereas cheralite is the only non-ordered structure encountered for M{sup II}M′{sup IV}(PO{sub 4}){sub 2} compounds. - Graphical abstract: In this paper, the relationships between composition and crystal structure of M{sup II}M′{sup IV}(PO{sub 4}){sub 2} compounds are established. A review of the various processes used for the synthesis of these compounds is also proposed, as well as their most reported properties. - Highlights: • Crystal structure–composition relationships of MIIM′IV(PO4)2 compounds. • Review of the various processes used for the synthesis of these compounds. • Their most reported properties are described and discussed.

  7. The influence of graphic format on breast cancer risk communication.

    Science.gov (United States)

    Schapira, Marilyn M; Nattinger, Ann B; McAuliffe, Timothy L

    2006-09-01

    Graphic displays can enhance quantitative risk communication. However, empiric data regarding the effect of graphic format on risk perception is lacking. We evaluate the effect of graphic format elements on perceptions of risk magnitude and perceived truth of data. Preferences for format also were assessed. Participants (254 female primary care patients) viewed a series of hypothetical risk communications regarding the lifetime risk of breast cancer. Identical numeric risk information was presented using different graphic formats. Risk was perceived to be of lower magnitude when communicated with a bar graph as compared with a pictorial display (p graphic format used to convey quantitative risk information effects key domains of risk perception. One must be cognizant of these effects when designing risk communication strategies.

  8. Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.

    Science.gov (United States)

    Qi, Ruxi; Botello-Smith, Wesley M; Luo, Ray

    2017-07-11

    Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes. Though great efforts have been put into developing efficient PBE numerical models, challenges still remain due to the high dimensionality of typical biomolecular systems. In this study, we implemented and analyzed commonly used linear PBE solvers for the ever-improving graphics processing units (GPU) for biomolecular simulations, including both standard and preconditioned conjugate gradient (CG) solvers with several alternative preconditioners. Our implementation utilizes the standard Nvidia CUDA libraries cuSPARSE, cuBLAS, and CUSP. Extensive tests show that good numerical accuracy can be achieved given that the single precision is often used for numerical applications on GPU platforms. The optimal GPU performance was observed with the Jacobi-preconditioned CG solver, with a significant speedup over standard CG solver on CPU in our diversified test cases. Our analysis further shows that different matrix storage formats also considerably affect the efficiency of different linear PBE solvers on GPU, with the diagonal format best suited for our standard finite-difference linear systems. Further efficiency may be possible with matrix-free operations and integrated grid stencil setup specifically tailored for the banded matrices in PBE-specific linear systems.

  9. Mn{sub 2}O{sub 3} decorated graphene nanosheet: An advanced material for the photocatalytic degradation of organic dyes

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, Sourov, E-mail: sourov.chem@gmail.com [Nanomaterials Laboratory, Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur (India); Department of Instrumentation Science, Jadavpur University, Kolkata 700 032 (India); Das, Pradip; Bag, Sourav [Nanomaterials Laboratory, Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur (India); Bhar, Radhaballabh, E-mail: rbusicju32@yahoo.co.in [Department of Instrumentation Science, Jadavpur University, Kolkata 700 032 (India); Pramanik, Panchanan, E-mail: pramanik1946@gmail.com [Nanomaterials Laboratory, Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur (India)

    2012-06-25

    Graphical abstract: A facile and economical route has been developed for the synthesis of graphene-Mn{sub 2}O{sub 3} nanocomposite in which Mn{sub 2}O{sub 3} nanoparticles are uniformly distributed throughout the surface of the graphene nanosheet with their average sizes ranging from 8 to 10 nm. It shows a brilliant catalytic activity during the photodegradation of several organic dyes as compare to both of the bare manganese oxide and graphene too. Highlights: Black-Right-Pointing-Pointer One step sonochemical synthesis of graphene-Mn{sub 2}O{sub 3} nanocomposite. Black-Right-Pointing-Pointer Growth of such nanoparticles over graphene is accelerated by the simultaneous reduction with KMnO{sub 4}. Black-Right-Pointing-Pointer The composite can effectively use as heterogeneous catalyst during the photodegradation of organic dyes. Black-Right-Pointing-Pointer It exhibits {approx}84%, {approx}80% and {approx}60% degradation of MB, eosin and RB respectively within a few minutes. - Abstract: A one step sonochemical route has been developed to prepare graphene-Mn{sub 2}O{sub 3} nanocomposite with uniform distribution of Mn{sub 2}O{sub 3} nanoparticles throughout the surface of graphene nanosheet. Growth of such nanoparticles over this two dimensional carbon network is simply accelerated by the simultaneous reduction of potassium permanganate along with graphene oxide, in which metal ions are first anchored through binding with oxy-functional groups of graphene oxide and finally reduced by hydrazine. The final product ensure a new platform for the photodegradation of organic dyes, as it can store electrons and circulate them towards dye molecules through the formation of hydroxyl radical under the exposure of UV-light. Almost 80% photocatalytic degradation of eosin, methylene blue and rhodamine B have been observed within few minutes, which has not been obtained by using bare manganese oxide itself.

  10. Computer Graphics Simulations of Sampling Distributions.

    Science.gov (United States)

    Gordon, Florence S.; Gordon, Sheldon P.

    1989-01-01

    Describes the use of computer graphics simulations to enhance student understanding of sampling distributions that arise in introductory statistics. Highlights include the distribution of sample proportions, the distribution of the difference of sample means, the distribution of the difference of sample proportions, and the distribution of sample…

  11. Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30}: Structures, optical and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Yeon, Jeongho; Smith, Mark D. [Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208 (United States); Tapp, Joshua; Möller, Angela [Department of Chemistry and Texas Center for Superconductivity, University of Houston, Houston, TX 77204 (United States); Loye, Hans-Conrad zur, E-mail: zurloye@mailbox.sc.edu [Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208 (United States)

    2016-04-15

    Two new uranium(IV) fluorides, Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} (1) and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30} (2), were synthesized through an in situ mild hydrothermal route, and were structurally characterized by single crystal X-ray diffraction. The compounds exhibit complex crystal structures composed of corner- or edge-shared UF{sub 9} and MF{sub 6} (M=Mg, Mn) polyhedra, forming hexagonal channels in the three-dimensional framework, in which ordered or disordered divalent metal and sodium atoms reside. The large hexagonal voids contain the nearly regular M(II)F{sub 6} octahedra and sodium ions, whereas the small hexagonal cavities include M(II) and sodium ions on a mixed-occupied site. Magnetic susceptibility measurements yielded effective magnetic moments of 8.36 and 11.6 µ{sub B} for 1 and 2, respectively, confirming the presence and oxidation states of U(IV) and Mn(II). The large negative Weiss constants indicate the spin gap between a triplet and a singlet state in the U(IV). Magnetization data as a function of applied fields revealed that 2 exhibits paramagnetic behavior due to the nonmagnetic singlet ground state of U(IV) at low temperature. UV–vis diffuse reflectance and X-ray photoelectron spectroscopy data were also analyzed. - Graphical abstract: Two new quaternary U(IV) fluorides, Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30}, were crystallized via an in situ reduction step of U(VI) to U(IV) under mild hydrothermal conditions. The compounds show complex crystal structures based on the 3-D building block of U{sub 6}F{sub 30}. Magnetic property measurements revealed that the U(IV) exhibits a nonmagnetic singlet ground state at low temperature with a spin gap. - Highlights: • Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30} have been synthesized and characterized. • The U(IV) fluorides exhibit complex three-dimensional crystal structures. • The

  12. Interactive Graphic Journalism

    NARCIS (Netherlands)

    Schlichting, Laura

    2016-01-01

    textabstractThis paper examines graphic journalism (GJ) in a transmedial context, and argues that transmedial graphic journalism (TMGJ) is an important and fruitful new form of visual storytelling, that will re-invigorate the field of journalism, as it steadily tests out and plays with new media,

  13. [Application of the technique of analytical structure of project for the sub-project of websites catalog of the Virtual Health Library-Nursing].

    Science.gov (United States)

    dos, Santos Luís Augusto; Marin, Heimar de Fátima; Marques, Isaac Rosa; Cunha, Isabel Cristina Kowal Olm

    2007-01-01

    This work intents, in a didactic form, to explain the benefits of use of a technique of project management, named Work Breakdown Structure: a graphical tool to identify the main results to be developed in a project. The real examples are applied to a sub-project of the Virtual Library in Health in Nursing (BVS-Enfermagem) to development of the Sites Catalogs. The benefits of graphical visualization for a major agreement between professionals of different expertise are presented.

  14. Charge ordering and multiferroicity in Fe{sub 3}BO{sub 5} and Fe{sub 2}MnBO{sub 5} oxyborates

    Energy Technology Data Exchange (ETDEWEB)

    Maignan, A., E-mail: antoine.maignan@ensicaen.fr [Laboratoire CRISMAT, UMR 6508 CNRS/ENSICAEN/UNICAEN, 6 bd du Maréchal Juin, 14050 CAEN Cedex 4 (France); Lainé, F.; Guesdon, A.; Malo, S. [Laboratoire CRISMAT, UMR 6508 CNRS/ENSICAEN/UNICAEN, 6 bd du Maréchal Juin, 14050 CAEN Cedex 4 (France); Damay, F. [Laboratoire Léon Brillouin, UMR 12, LLB-Saclay, 91191 GIF-SUR-YVETTE Cedex (France); Martin, C. [Laboratoire CRISMAT, UMR 6508 CNRS/ENSICAEN/UNICAEN, 6 bd du Maréchal Juin, 14050 CAEN Cedex 4 (France)

    2017-02-15

    The comparison of Fe{sub 3}BO{sub 5} and Fe{sub 2}MnBO{sub 5} reveals that the 2Fe{sup 2+}: Fe{sup 3+} charge ordering of the former is suppressed in the latter. Spin dynamics probed by ac susceptibility are strongly affected by the substitution, inducing superparamagnetism at low temperature in Fe{sub 2}MnBO{sub 5}. Interestingly, for both oxyborates, glassiness is observed in the dielectric properties at low temperature, but only Fe{sub 3}BO{sub 5} shows a magnetodielectric effect close to its lower magnetic transition. A change in the electrical polarization, measured by pyroelectric current integration, is observed in Fe{sub 3}BO{sub 5} and is even more pronounced in Fe{sub 2}MnBO{sub 5}. Such results suggest that these oxyborates behave like antiferromagnetic relaxor ferroelectrics. These features are proposed to be related to the distribution of the species (Fe{sup 3+}, Fe{sup 2+} and Mn{sup 2+}) over the four transition metal sites forming the ludwigite structure. - Graphical abstract: 90 K [010] electron diffraction patterns of Fe{sub 3}BO{sub 5}. The yellow arrows in the pattern indicate the extra-spots corresponding to the superstructure induced by the charge ordering. - Highlights: • The TEM (ED) study of the Fe{sub 3}BO{sub 5} oxyborate at 90 K reveals a superstructure related to a Fe{sup 2+}/Fe{sup 3+} ordering. • The Fe{sub 2}MnBO{sub 5}, Mn-substituted counterpart, does not show such ordering. • Our magnetic and electric measurements demonstrate that these magnetic ferrites exhibit glassiness in their charges (relaxor-type) with additional superparamagnetism at low T for Fe{sub 2}MnBO{sub 5} and magnetodielectric coupling near T{sub N2}=72 K in Fe{sub 3}BO{sub 5}. • The pyroelectric measurements confirm the existence of a ferroelectric behavior in these antiferromagnets. Accordingly, our results open the route to the study of other large class of the M{sub 2}{sup 2+}M’{sup 3+}BO{sub 5} ludwigites and to their complex magnetism and its

  15. Evaluating Texts for Graphical Literacy Instruction: The Graphic Rating Tool

    Science.gov (United States)

    Roberts, Kathryn L.; Brugar, Kristy A.; Norman, Rebecca R.

    2015-01-01

    In this article, we present the Graphical Rating Tool (GRT), which is designed to evaluate the graphical devices that are commonly found in content-area, non-fiction texts, in order to identify books that are well suited for teaching about those devices. We also present a "best of" list of science and social studies books, which includes…

  16. Graphical programming at Sandia National Laboratories

    International Nuclear Information System (INIS)

    McDonald, M.J.; Palmquist, R.D.; Desjarlais, L.

    1993-09-01

    Sandia has developed an advanced operational control system approach, called Graphical Programming, to design, program, and operate robotic systems. The Graphical Programming approach produces robot systems that are faster to develop and use, safer in operation, and cheaper overall than altemative teleoperation or autonomous robot control systems. Graphical Programming also provides an efficient and easy-to-use interface to traditional robot systems for use in setup and programming tasks. This paper provides an overview of the Graphical Programming approach and lists key features of Graphical Programming systems. Graphical Programming uses 3-D visualization and simulation software with intuitive operator interfaces for the programming and control of complex robotic systems. Graphical Programming Supervisor software modules allow an operator to command and simulate complex tasks in a graphic preview mode and, when acceptable, command the actual robots and monitor their motions with the graphic system. Graphical Programming Supervisors maintain registration with the real world and allow the robot to perform tasks that cannot be accurately represented with models alone by using a combination of model and sensor-based control

  17. Growth and characterization of thin oriented Co{sub 3}O{sub 4} (111) films obtained by decomposition of layered cobaltates Na{sub x}CoO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Buršík, Josef, E-mail: bursik@iic.cas.cz [Institute of Inorganic Chemistry of the Academy of Sciences of the Czech Republic, v.v.i., 250 68, Husinec-Řež 1001 (Czech Republic); Soroka, Miroslav, E-mail: soroka@iic.cas.cz [Institute of Inorganic Chemistry of the Academy of Sciences of the Czech Republic, v.v.i., 250 68, Husinec-Řež 1001 (Czech Republic); Kužel, Radomír, E-mail: kuzel@karlov.mff.cuni.cz [Faculty of Mathematics and Physics, Charles University in Prague, Ke Karlovu 5, 121 16 Praha 2 (Czech Republic); Mika, Filip, E-mail: filip.mika@isibrno.cz [Institute of Scientific Instruments, Academy of Sciences of the Czech Republic, v.v.i., Královopolská 147, 612 64 Brno (Czech Republic)

    2015-07-15

    The formation and structural characterization of highly (111)-oriented Co{sub 3}O{sub 4} films prepared by a novel procedure from weakly (001)-oriented Na{sub x}CoO{sub 2} is reported. The Na{sub x}CoO{sub 2} films were deposited on both single crystal and amorphous substrates by chemical solution deposition (CSD) method and crystallized at 700 °C. Subsequently they were transformed into (111)-oriented Co{sub 3}O{sub 4} phase during post-growth annealing at 900 °C. The degree of preferred orientation in Co{sub 3}O{sub 4}, which was determined by phi-scan and pole figure measurements, depends on the content of Na in the starting Na{sub x}CoO{sub 2} phase. Surface morphology of the films was investigated using electron microscopy and atomic force microscopy. - Graphical abstract: Structure of growth twins and possible O{sup 2−} stacking sequences in (111)-oriented Co{sub 3}O{sub 4} thin films on α-Al{sub 2}O{sub 3}(001) prepared by chemical solution deposition through the transformation of (001)-oriented Na{sub x}CoO{sub 2} thin film. - Highlights: • Single phase Co{sub 3}O{sub 4} thin films was prepared by means of chemical solution deposition. • Conditions for γ-Na{sub x}CoO{sub 2} to Co{sub 3}O{sub 4} transformation were optimized. • Growth twinning of Co{sub 3}O{sub 4} films due to two possible O{sup 2−} stacking sequences. • Growth with (pseudo)epitaxial relation Co{sub 3}O{sub 4} (111)[−121]//α-Al{sub 2}O{sub 3} (001)[10−10].

  18. Express and low-cost microwave synthesis of the ternary Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} for application in rechargeable magnesium batteries

    Energy Technology Data Exchange (ETDEWEB)

    Murgia, Fabrizio; Antitomaso, Philippe; Stievano, Lorenzo; Monconduit, Laure [Institut Charles Gerhardt de Montpellier (ICGM, UMR 5253CNRS Université de Montpellier), 2, Place Eugène Bataillon, CC1502, 34095 Montpellier cedex 5 (France); Réseau sur le Stockage Electrochimique de l' Energie (RS2E,FR 3459CNRS), 33, Rue Saint-Leu, 80039 Amiens cedex (France); Berthelot, Romain, E-mail: romain.berthelot@umontpellier.fr [Institut Charles Gerhardt de Montpellier (ICGM, UMR 5253CNRS Université de Montpellier), 2, Place Eugène Bataillon, CC1502, 34095 Montpellier cedex 5 (France); Réseau sur le Stockage Electrochimique de l' Energie (RS2E,FR 3459CNRS), 33, Rue Saint-Leu, 80039 Amiens cedex (France)

    2016-10-15

    The ternary Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} was successfully synthetized using a simple and cost-effective solid-state microwave-assisted reaction. While solid-state routes require days of high-temperature treatment under inert atmosphere, highly pure and crystalline Cu{sub 2}Mo{sub 6}S{sub 8} could be obtained in only 400 s from this precursor, the Chevrel binary phase Mo{sub 6}S{sub 8} was then obtained by copper removal through acidic leaching, and was evaluated as a positive electrode material for Mg-battery. The electrochemical performance in half-cell configuration shows reversible capacity exceeding 80 mAh/g, which is comparable to previous works carried out with materials synthesized by conventional high-temperature solid-state routes. - Graphical abstract: Ultrafast micro-wave synthesis of Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} towards Mo{sub 6}S{sub 8} as positive electrode of Mg-battery. - Highlights: • Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} is synthesized by fast microwave-assisted solid-state reaction. • Highly-pure and well-crystalline Cu{sub 2}Mo{sub 6}S{sub 8} is obtained. • Mo{sub 6}S{sub 8} obtained from leaching is tested as a positive electrode for Mg batteries.

  19. Improvement of the overall performances of LiMn{sub 2}O{sub 4} via surface-modification by polypyrrole

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ting; Wang, Wan [Department of Advanced Materials, College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China); Zhu, Ding [Institute of New Energy and Low-carbon Technology, Sichuan University, Chengdu, 610065 (China); Huang, Liwu, E-mail: liwuhuang@scu.edu.cn [Department of Advanced Materials, College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China); Chen, Yungui, E-mail: ygchen60@aliyun.com [Department of Advanced Materials, College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China)

    2015-11-15

    Graphical abstract: Polypyrrole(PPy) film has improved the rate performance of LiMn{sub 2}O{sub 4} efficiently due to its excellent conductivity. PPy@LiMn{sub 2}O{sub 4} could provide more energy under the higher power than pristine LMO. - Highlights: • The PPy layer on the surface of LMO particles hasn’t been studied in LiMn{sub 2}O{sub 4} so far. • The solvent in the synthesis process of PPy@LMO is absolute ethyl alcohol. • The differences of surface-modification between the PPy and PI for LMO. • The analyses of rate performances are through specific power. - Abstract: Polypyrrole (PPy) is an excellent conductive polymer and the study on its utilization in the surface modification of the LiMn{sub 2}O{sub 4} (LMO) is few. In this work, the structure, morphology and electrochemical performance of surface-modified LiMn{sub 2}O{sub 4} composites with PPy and polyimides (PI) were discussed. The crystal structure, chemical bonds and morphology were characterized through X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM), respectively. Moreover, the specific power and cycling performance were tested at room and high (55 °C) temperature. The PPy@LMO (surface-modified LMO composites with PPy) shows better performances than the pristine LMO. The addition of PPy not only weakens the corrosion caused by electrolyte, but also improves the discharge capacity at higher rates. The charge transfer resistance of the PPy@LMO is much lower than that of the pristine LMO after cycling.

  20. Speaking out about physical harms from tobacco use: response to graphic warning labels among American Indian/Alaska Native communities

    OpenAIRE

    Patterson Silver Wolf, David A; Tovar, Molly; Thompson, Kellie; Ishcomer, Jamie; Kreuter, Matthew W; Caburnay, Charlene; Boyum, Sonia

    2016-01-01

    Objective This study is the first to explore the impact of graphic cigarette labels with physical harm images on members of American Indian/Alaska Native (AI/AN) communities. The aim of this article is to investigate how AI/AN respond to particular graphic warning labels. Methods The parent study recruited smokers, at-risk smokers and non-smokers from three different age groups (youths aged 13?17?years, young adults aged 18?24?years and adults aged 25+ years) and five population subgroups wit...

  1. Activation of Ca(OH){sub 2} using different siliceous materials

    Energy Technology Data Exchange (ETDEWEB)

    Karatepe, N.; Ersoy-Mericboyu, A.; Kucukbayrak, S. [Istanbul Technical University, Istanbul (Turkey)

    1999-04-01

    Siliceous materials such as silica fume, bentonite and diatomite were mixed with Ca(OH){sub 2} and hydrated at different conditions to produce reactive SO{sub 2} sorbents. Two different hydration methods were used, namely atmospheric and pressure hydration. The effects of the hydration temperature, time and siliceous material/Ca(OH){sub 2} weight ratio on the physical properties of the activated sorbents wereinvestigated. A statistical design technique was applied by use of a two-level factorial design matrix to interpret experimental results. In atmospheric hydration, it was found that increasing the temperature and hydration time caused an increase in the total surface area of the sorbents. But, increasing the siliceous material/Ca(OH){sub 2} weight ratio caused a decrease in the total surface area of the sorbents. In pressure hydration, mathematical analysis showed that the surface area of the activated sorbents was positively affected by the hydration variables. Thermogravimetric measurements showed that increasing the amount of reacted Ca(OH){sub 2} during hydration caused an increase in the surface area of the sorbent. X-ray diffraction studies also indicated that calcium silicate hydrates were the principal Ca-containing species formed during hydration.

  2. Seeing is believing: good graphic design principles for medical research.

    Science.gov (United States)

    Duke, Susan P; Bancken, Fabrice; Crowe, Brenda; Soukup, Mat; Botsis, Taxiarchis; Forshee, Richard

    2015-09-30

    Have you noticed when you browse a book, journal, study report, or product label how your eye is drawn to figures more than to words and tables? Statistical graphs are powerful ways to transparently and succinctly communicate the key points of medical research. Furthermore, the graphic design itself adds to the clarity of the messages in the data. The goal of this paper is to provide a mechanism for selecting the appropriate graph to thoughtfully construct quality deliverables using good graphic design principles. Examples are motivated by the efforts of a Safety Graphics Working Group that consisted of scientists from the pharmaceutical industry, Food and Drug Administration, and academic institutions. Copyright © 2015 John Wiley & Sons, Ltd.

  3. IGUANA Architecture, Framework and Toolkit for Interactive Graphics

    CERN Document Server

    Alverson, G; Muzaffar, S; Osborne, I; Tuura, L A; Taylor, L; Alverson, George; Eulisse, Giulio; Muzaffar, Shahzad; Osborne, Ianna; Tuura, Lassi A.; Taylor, Lucas

    2003-01-01

    IGUANA is a generic interactive visualisation framework based on a C++ component model. It provides powerful user interface and visualisation primitives in a way that is not tied to any particular physics experiment or detector design. The article describes interactive visualisation tools built using IGUANA for the CMS and D0 experiments, as well as generic GEANT4 and GEANT3 applications. It covers features of the graphical user interfaces, 3D and 2D graphics, high-quality vector graphics output for print media, various textual, tabular and hierarchical data views, and integration with the application through control panels, a command line and different multi-threading models.

  4. GUANA Architecture, Framework and Toolkit for Interactive Graphics

    CERN Document Server

    Alverson, G; Muzaffar, S; Osborne, I; Tuura, L A; Taylor, L

    2003-01-01

    IGUANA is a generic interactive visualisation framework based on a C++ component model. It provides powerful user interface and visualisation primitives in a way that is not tied to any particular physics experiment or detector design. The article describes interactive visualisation tools built using IGUANA for the CMS and D0 experiments, as well as generic GEANT4 and GEANT3 applications. It covers features of the graphical user interfaces, 3D and 2D graphics, high-quality vector graphics output for print media, various textual, tabular and hierarchical data views, and integration with the application through control panels, a command line and different multi-threading models.

  5. Exchange interactions and the state of iron atoms in Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ}

    Energy Technology Data Exchange (ETDEWEB)

    Chezhina, N.V., E-mail: chezhina@nc2490.spb.edu [St. Petersburg State University, 7/9 Universitetskaya Nab., 199034 (Russian Federation); Korolev, D.A. [St. Petersburg State University, 7/9 Universitetskaya Nab., 199034 (Russian Federation); Zhuk, N.A. [Syktyvkar State University (Russian Federation); Lutoev, V.P.; Makeev, B.A. [Institute of Geology Komi Scientific Center of Ural branch of Russian Academy of Sciences, Syktyvkar (Russian Federation)

    2017-03-15

    On the basis of the results of magnetic susceptibility and ESR studies of the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions iron atoms in the solid solutions of cubic modification of bismuth niobate were found to exist as Fe(III) monomers and exchange bound Fe(III)-O-Fe(III) dimers with antiferro- and ferromagnetic type of superexchange. The exchange parameters and the distribution of monomers and dimers in the solid solutions were calculated as a function of paramagnetic atom content. - Graphical abstract: The study of the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions showed that the introduction of iron atoms into the structure of Bi{sub 3}NbO{sub 7} stabilizes the cubic structure of bismuth niobate making the phase transition tetragonal ↔ cubic structure irreversible. In the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions we observe the formation of dimers with antiferro- and ferromagnetic exchange. Such clusters are partially retained even at the infinite dilution of the solid solution, which testifies for their rigidity. A sufficiently high parameter of ferromagnetic exchange in a dimer (+53 cm{sup −1}) seems to result from iron atoms being located in the vicinity of oxygen vacancy. - Highlights: • The reversible transition cubic – tetragonal modifications in Bi{sub 3}NbO{sub 7} becomes irreversible. • Only cubic modification of Bi{sub 3}Nb{sub 1-x}Fe{sub x}O{sub 7-δ} is stable due to clusters of Fe atoms. • These clusters are sufficiently strong and retained even at the infinite dilution. • The calculations of magnetic susceptibility give the distribution of the clusters and single atoms.

  6. Zintl-phases with layer anions: preparation and crystal structures of the isotypic compounds SrSn sub 2 As sub 2 and Sr sub 0. 87 Ba sub 0. 13 Sn sub 2 As sub 2 and a single crystal structure determination of KSnSb. Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturen der isotypen Verbindungen SrSn sub 2 As sub 2 und Sr sub 0,87 Ba sub 0,13 Sn sub 2 As sub 2 sowie eine Einkristallstrukturbestimmung von KSnSb

    Energy Technology Data Exchange (ETDEWEB)

    Eisenmann, B; Klein, J [Abt. 2 fuer Anorganische Chemie, Technische Hochschule Darmstadt (Germany)

    1991-06-01

    The metallic reflecting compounds SrSn{sub 2}As{sub 2} and Sr{sub 0.87}Ba{sub 0.13}Sn{sub 2}As{sub 2} were prepared from the melt, they crystallize in the trigonal rhombohedral system (space group R3m, Z = 3) with lattice constants see ''Inhaltsuebersicht''. In the crystal structure of the isotypic compounds threebonded Sn atoms and threebonded As atoms together form puckered layers which are isostructural to grey As. The mean values of the bond lengths Sn -- As are 277.6 pm (SrSn{sub 2}As{sub 2}) and 279.1 pm (Sr{sub 0.87}Ba{sub 0.13}Sn{sub 2}As{sub 2}) resp. Along (001) the alkaline earth atoms occupy the octahedral interstices of As atoms between each second SnAs layer. The single crystal structure determination of KSnSb confirms the results of the X-ray powder analysis, but leads to slightly different values for the bond lengths.

  7. Computer graphics at VAX JINR

    International Nuclear Information System (INIS)

    Balashov, V.K.

    1991-01-01

    The structure of the software for computer graphics at VAX JINR is described. It consists of graphical packages GKS, WAND and a set graphicals packages for High Energy Physics application designed at CERN. 17 refs.; 1 tab

  8. Low temperature phase transition and crystal structure of CsMgPO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Orlova, Maria, E-mail: maria.p.orlova@gmail.com [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck 6020 (Austria); Khainakov, Sergey [Departamento de Química Física y Analítica, Universidad de Oviedo—CINN, 33006 Oviedo (Spain); Servicios Científico Técnicos, Universidad de Oviedo, 33006 Oviedo (Spain); Michailov, Dmitriy [Department of Chemistry, University of Nizhny Novgorod, 23 Gagarin av., Nizhny Novgorod 603950 (Russian Federation); Perfler, Lukas [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck 6020 (Austria); Langes, Christoph [Institute of Pharmacy, University of Innsbruck, Innrain 52, Innsbruck 6020 (Austria); Kahlenberg, Volker [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck 6020 (Austria); Orlova, Albina [Department of Chemistry, University of Nizhny Novgorod, 23 Gagarin av., Nizhny Novgorod 603950 (Russian Federation)

    2015-01-15

    CsMgPO{sub 4} doped with radioisotopes is a promising compound for usage as a radioactive medical source. However, a low temperature phase transition at temperatures close to ambient conditions (∼−40 °C) was observed. Information about such kind of structural changes is important in order to understand whether it can cause any problem for medical use of this compound. The phase transition has been investigated in detail using synchrotron powder diffraction, Raman spectroscopy and DFT calculations. The structure undergoes a transformation from an orthorhombic modification, space group Pnma (RT phase) to a monoclinic polymorph, space group P2{sub 1}/n (LT phase). New LT modification adopts similar to RT but slightly distorted unit cell: a=9.58199(2) Å, b=8.95501(1) Å, c=5.50344(2) Å, β=90.68583(1)°, V=472.198(3) Å{sup 3}. CsMgPO{sub 4} belongs to the group of framework compounds and is made up of strictly alternating MgO{sub 4}- and PO{sub 4}-tetrahedra sharing vertices. The cesium counter cations are located in the resulting channel-like cavities. Upon the transformation a combined tilting of the tetrahedra is observed. A comparison with other phase transitions in ABW-type framework compounds is given. - Graphical abstract: Structural behavior of β-tridymite-type phosphate CsMgPO{sub 4}, considered as potential chemical form for radioactive Cs-source has been studied at near ambient temperatures. A phase transition at (∼−40 °C) has been found and investigated. It has been established that the known orthorhombic RT modification, space group Pnma, adopts a monoclinic cell with space group P2{sub 1}/n at low temperatures. In this paper, we present results of structural analysis of changes accompanying this phase transition and discuss its possible impact on the application properties. - Highlights: • β-Tridymite type phosphate CsMgPO{sub 4} undergoes so called translationengleiche phase transition of index 2 at −40 °C. • The structure

  9. Synthesis of polycrystalline Co{sub 3}O{sub 4} nanowires with excellent ammonium perchlorate catalytic decomposition property

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hai [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Lv, Baoliang, E-mail: lbl604@sxicc.ac.cn [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China); Wu, Dong; Xu, Yao [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China)

    2014-12-15

    Graphical abstract: Co{sub 3}O{sub 4} nanowires with excellent ammonium perchlorate catalytic decomposition property were synthesized via a methanamide-assisted hydrolysis and subsequent dissolution–recrystallization process in the presence of methanamide. - Abstract: Co{sub 3}O{sub 4} nanowires, with the length of tens of micrometers and the width of several hundred nanometers, were produced by a hydrothermal treatment and a post-anneal process. X-ray diffraction (XRD) result showed that the Co{sub 3}O{sub 4} nanowires belong to cubic crystal system. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) analysis indicated that the Co{sub 3}O{sub 4} nanowires, composed by single crystalline nanoparticles, were of polycrystalline nature. On the basis of time-dependent experiments, methanamide-assisted hydrolysis and subsequent dissolution–recrystallization process were used to explain the precursors' formation process of the polycrystalline Co{sub 3}O{sub 4} nanowires. The TGA experiments showed that the as-obtained Co{sub 3}O{sub 4} nanowires can catalyze the thermal decomposition of ammonium perchlorate (AP) effectively.

  10. Examining Difference in Immigration Stress, Acculturation Stress and Mental Health Outcomes in Six Hispanic/Latino Nativity and Regional Groups.

    Science.gov (United States)

    Cervantes, Richard C; Gattamorta, Karina A; Berger-Cardoso, Jodi

    2018-02-27

    Little is known about the specific behavioral health impact of acculturation stressors that affect Hispanic/Latino immigrant sub-groups. These immigration-related stressors and traumatic events may have differential impact on depression depending on country/region of origin. Using a measure of immigration and acculturation stress, the current study sought to determine differences in the impact of stress on six sub-groups of Hispanic immigrants. Data on stress and depression were examined using a large, representative adult immigrant sample (N = 641). Controlling for age, gender and years in the US, factorial analysis of covariance revealed significant differences on total Hispanic Stress Inventory 2 (HSI2) stress appraisal scores based on country/region of origin. Pair wise comparisons between country/region of origin groups revealed that Mexicans had higher levels of stress compared to Cuban or Dominican immigrants. Several patterns of differential stress were also found within sub-domains of the HSI2. Using regression models, HSI2 stress appraisals and their interaction with country of origin proved to not be significant predictors of depression (PHQ9), while gender and age were significant. Differences in HSI2 stress that are based on nativity may be moderated by cultural resilience that ultimately serves a protective role to prevent the onset of depression.

  11. Folate conjugated Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles for targeted magnetic resonance imaging in vivo

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xinyi [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Zhou, Zhiguo, E-mail: zgzhou@shnu.edu.cn [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Wang, Li; Tang, Caizhi; Yang, Hong [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Yang, Shiping, E-mail: shipingy@shnu.edu.cn [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); The Education Ministry Key Lab of Pesticide and Chemical Biology, South China Agricultural University, Guangzhou 510641 (China)

    2014-09-15

    Graphical abstract: The Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA has been used as a T{sub 1}-MRI probe for in vivo. - Highlights: • The PEG and FA modified Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2}–FA) were prepared. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA exhibited the good colloidal stability in the simulated biological medium. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA showed the targeting ability to HeLa cells overexpressed the FA receptor. • The T{sub 1}-weighted magnetic resonance (MR) imaging demonstrated the targeting ability of Mn{sub 3}O{sub 4}@SiO{sub 2}–FA in vivo tumor. - Abstract: The monodisperse silica-coated manganese oxide nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2} NPs) were synthesized via the high temperature pyrolysis approach and were aminated through silanization. The amine-functionalized Mn{sub 3}O{sub 4} NPs enabled the covalent conjugation of hydrophilic methoxypoly(ethylene glycol) (PEG) and the targeting ligand of folate (FA) onto their surface. The formed PEG and FA modified Mn{sub 3}O{sub 4} NPs (Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA) exhibited the good colloidal stability in the simulated biological medium and the targeting ability to HeLa cells overexpressed the FA receptor. The T{sub 1}-weighted magnetic resonance (MR) imaging and inductively coupled plasma atomic emission spectroscopy (ICP-AES) analysis of Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA NPs further demonstrated their targeting ability in tumor.

  12. Selective catalytic reduction of NO{sub x} with NH{sub 3} over iron-cerium-tungsten mixed oxide catalyst prepared by different methods

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Zhi-bo, E-mail: xzb328@163.com [School of Energy and Power Engineering, University of Shanghai for Science & Technology, Shanghai 200093 (China); Collaborative Innovation Research Institute, University of Shanghai for Science & Technology, Shanghai 200093 (China); Shanghai Power Equipment Research Institute, Shanghai 200240 (China); Liu, Jing; Zhou, Fei; Liu, Dun-yu; Lu, Wei [School of Energy and Power Engineering, University of Shanghai for Science & Technology, Shanghai 200093 (China); Jin, Jing [School of Energy and Power Engineering, University of Shanghai for Science & Technology, Shanghai 200093 (China); Collaborative Innovation Research Institute, University of Shanghai for Science & Technology, Shanghai 200093 (China); Ding, Shi-fa [Shanghai Power Equipment Research Institute, Shanghai 200240 (China)

    2017-06-01

    Highlights: • Iron-cerium-tungsten mixed oxide catalysts were prepared through three different methods. • The effect of preparation methods on the NH{sub 3}-SCR activity and the surface structure properties of catalyst were investigated. • Iron-cerium-tungsten mixed oxide prepared through microwave irradiation assistant critic acid sol-gel shows higher NH{sub 3}-SCR activity. - Abstract: A series of magnetic Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z} catalysts were synthesized by three different methods(Co-precipitation(Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-CP), Hydrothermal treatment assistant critic acid sol-gel method(Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-HT) and Microwave irradiation assistant critic acid sol-gel method(Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-MW)), and the catalytic activity was evaluated for selective catalytic reduction of NO with NH{sub 3}. The catalyst was characterized by XRD, N{sub 2} adsorption-desorption, XPS, H{sub 2}-TPR and NH{sub 3}-TPD. Among the tested catalysts, Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-MW shows the highest NO{sub x} conversion over per gram in unit time with NO{sub x} conversion of 60.8% at 350 °C under a high gas hourly space velocity of 1,200,000 ml/(g h). Different from Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-CP catalyst, there exists a large of iron oxide crystallite(γ-Fe{sub 2}O{sub 3} and α-Fe{sub 2}O{sub 3}) scattered in Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z} catalysts prepared through hydrothermal treatment or microwave irradiation assistant critic acid sol-gel method, and higher iron atomic concentration on their surface. And Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-MW shows higher surface absorbed oxygen concentration and better dispersion compared with Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-HT catalyst. These features were favorable for the high catalytic performance of NO reduction with NH{sub 3} over Fe{sub 0.85}Ce{sub 0.10}W{sub 0.05}O{sub z}-MW catalyst.

  13. Effect of annealing temperature on the supercapacitor behaviour of β-V{sub 2}O{sub 5} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jeyalakshmi, K. [Department of Physics, PSNA College of Engineering and Technology, Dindigul 624622 (India); Vijayakumar, S.; Nagamuthu, S. [Department of Physics, Gandhigram Rural Institute, Deemed University, Gandhigram 624302 (India); Muralidharan, G., E-mail: muralg@rediffmail.com [Department of Physics, Gandhigram Rural Institute, Deemed University, Gandhigram 624302 (India)

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ► Structural, optical, supercapacitor properties of β-V{sub 2}O{sub 5} thin films are reported. ► Influence of annealing temperature on β-V{sub 2}O{sub 5} thin films have been studied. ► Film annealed at 300 °C exhibit lower charge transfer resistance. -- Abstract: Vanadium pentoxide thin films are prepared via sol–gel spin coating method. The films coated on FTO and glass substrates are treated at different temperatures ranging from 250 °C to 400 °C. The structural, optical and electrochemical investigations are made. X-ray diffraction analysis shows the film to be composed of V{sub 2}O{sub 5} in β-phase up to annealing temperature of 350 °C and at 400 °C the structural transformation to α-phase is observed. FTIR spectrum shows the formation of V-O bond. The SEM images reveal the formation of nanopores. Optical absorption studies indicate a band gap of 2.2–2.4 eV. The supercapacitor behaviour is studied using cyclic voltammetery technique and electrochemical impedance analysis. The vanadium pentoxide films annealed at 300 °C for an hour exhibits a maximum specific capacitance of 346 F g{sup −1} at a scan rate of 5 mV s{sup −1}.

  14. The Case for Graphic Novels

    Directory of Open Access Journals (Sweden)

    Steven Hoover

    2012-04-01

    Full Text Available Many libraries and librarians have embraced graphic novels. A number of books, articles, and presentations have focused on the history of the medium and offered advice on building and maintaining collections, but very little attention has been given the question of how integrate graphic novels into a library’s instructional efforts. This paper will explore the characteristics of graphic novels that make them a valuable resource for librarians who focus on research and information literacy instruction, identify skills and competencies that can be taught by the study of graphic novels, and will provide specific examples of how to incorporate graphic novels into instruction.

  15. Synthesis and characterization of metastable, 20 nm-sized Pna2{sub 1}-LiCoPO{sub 4} nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Ludwig, Jennifer [Technical University of Munich, Department of Chemistry, Synthesis and Characterization of Innovative Materials, Lichtenbergstr. 4, 85747 Garching (Germany); Nordlund, Dennis [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Rd, Menlo Park, CA 94025 (United States); Doeff, Marca M. [Lawrence Berkeley National Laboratory, Environmental Energy Technologies Division, 1 Cyclotron Rd, Berkeley, CA 94720 (United States); Nilges, Tom, E-mail: tom.nilges@lrz.tum.de [Technical University of Munich, Department of Chemistry, Synthesis and Characterization of Innovative Materials, Lichtenbergstr. 4, 85747 Garching (Germany)

    2017-04-15

    The majority of research activities on LiCoPO{sub 4} are focused on the phospho-olivine (space group Pnma), which is a promising high-voltage cathode material for Li-ion batteries. In contrast, comparably little is known about its metastable Pna2{sub 1} modification. Herein, we present a comprehensive study on the structure–property relationships of 15–20 nm Pna2{sub 1}-LiCoPO{sub 4} nanospheres prepared by a simple microwave-assisted solvothermal process. Unlike previous reports, the results indicate that the compound is non-stoichiometric and shows cation-mixing with Co ions on the Li sites, which provides an explanation for the poor electrochemical performance. Co L{sub 2,3}-edge X-ray absorption spectroscopic data confirm the local tetrahedral symmetry of Co{sup 2+}. Comprehensive studies on the thermal stability using thermogravimetric analysis, differential scanning calorimetry, and in situ powder X-ray diffraction show an exothermic phase transition to olivine Pnma-LiCoPO{sub 4} at 527 °C. The influence of the atmosphere and the particle size on the thermal stability is also investigated. - Graphical abstract: Blue nano-sized Pna2{sub 1}-LiCoPO{sub 4,} featuring tetrahedrally-coordinated Co{sup 2+}, was synthesized in a rapid one-step microwave-assisted solvothermal process. The phase relation between this metastable and the stable polymorph was analyzed and electrochemical properties are discussed. - Highlights: • Preparation of uniform 15–20 nm nanospheres of metastable Pna2{sub 1}-LiCoPO{sub 4} polymorph. • Structure redetermination shows cation-mixing (Co blocking Li sites). • In situ investigation of phase transformation to olivine Pnma-LiCoPO{sub 4} at 527 °C. • Pna2{sub 1}-LiCoPO{sub 4} reemerges as a stable high-temperature phase above 800 °C. • X-ray absorption spectroscopy confirms local tetrahedral symmetry (T{sub d} Co{sup 2+}).

  16. Fluorine-ion conductivity of different technological forms of solid electrolytes R{sub 1–y}M{sub y}F{sub 3–y} (LaF{sub 3} Type ) (M = Ca, Sr, Ba; R Are Rare Earth Elements)

    Energy Technology Data Exchange (ETDEWEB)

    Sorokin, N. I., E-mail: nsorokin1@yandex.ru; Sobolev, B. P. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2016-05-15

    We have investigated the conductivity of some representatives of different technological forms of fluoride-conducting solid electrolytes R{sub 1–y}M{sub y}F{sub 3–y} (M = Ca, Sr, Ba; R are rare earth elements) with an LaF{sub 3} structure: single crystals, cold- and hot-pressing ceramics based on a charge prepared in different ways (mechanochemical synthesis, solid-phase synthesis, and fragmentation of single crystals), polycrystalline alloys, etc. It is shown (by impedance spectroscopy), that different technological forms of identical chemical composition (R, M, y) exhibit different electrical characteristics. The maximum conductivity is observed for the single-crystal form of R{sub 1–y}M{sub y}F{sub 3–y} tysonite phases, which provides (in contrast to other technological forms) the formation of true volume ion-conducting characteristics.

  17. Rough surface scattering simulations using graphics cards

    International Nuclear Information System (INIS)

    Klapetek, Petr; Valtr, Miroslav; Poruba, Ales; Necas, David; Ohlidal, Miloslav

    2010-01-01

    In this article we present results of rough surface scattering calculations using a graphical processing unit implementation of the Finite Difference in Time Domain algorithm. Numerical results are compared to real measurements and computational performance is compared to computer processor implementation of the same algorithm. As a basis for computations, atomic force microscope measurements of surface morphology are used. It is shown that the graphical processing unit capabilities can be used to speedup presented computationally demanding algorithms without loss of precision.

  18. Apatite layer growth on glassy Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8} sputtered titanium for potential biomedical applications

    Energy Technology Data Exchange (ETDEWEB)

    Thanka Rajan, S.; Karthika, M. [Electrochemical Materials Science Division, CSIR-Central Electrochemical Research Institute, Karaikudi 630003 (India); Bendavid, Avi [Plasma Processing & Deposition Team, CSIRO Manufacturing Flagship, LindField, 2070, Sydney (Australia); Subramanian, B., E-mail: subramanianb3@gmail.com [Plasma Processing & Deposition Team, CSIRO Manufacturing Flagship, LindField, 2070, Sydney (Australia); Electrochemical Materials Science Division, CSIR-Central Electrochemical Research Institute, Karaikudi 630003 (India)

    2016-04-30

    Graphical abstract: - Highlights: • Metallic biomaterials are surface modified by Zr based TFMGs. • A bone-like apatite layer was grown on a Ni-free Zr-based TFMG in vitro. • Apatite layer growth confirmed by XRD and XPS analysis indicates its bioactivity. • Electrochemical response of the TFMGs in SBF possesses good corrosion resistance. - Abstract: The bioactivity of magnetron sputtered thin film metallic glasses (TFMGs) of Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8} (at.%) on titanium substrates was tested for bio implant applications. The structural and elemental compositions of TFMGs were analyzed by XRD, XPS and EDAX. X-ray diffraction analysis displayed a broad hump around the incident angle of 30–50°, suggesting that the coatings possess a glassy structure. An in situ crystal growth of hydroxyapatite was observed by soaking the sputtered specimen in simulated body fluid (SBF). The nucleation and growth of a calcium phosphate (Ca–P) bone-like hydroxyapatite on Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8} (at.%) TFMG from SBF was investigated by using XRD, AFM and SEM. The presence of calcium and phosphorus elements was confirmed by EDAX and XPS. In vitro electrochemical corrosion studies indicated that the Zr-based TFMG coating sustain in the stimulated body-fluid (SBF), exhibiting superior corrosion resistance with a lower corrosion penetration rate and electrochemical stability than the bare crystalline titanium substrate.

  19. On ternary intermetallic aurides. CaAu{sub 2}Al{sub 2}, SrAu{sub 2-x}Al{sub 2+x} and Ba{sub 3}Au{sub 5+x}Al{sub 6-x}

    Energy Technology Data Exchange (ETDEWEB)

    Stegemann, Frank [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Benndorf, Christopher [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Institut fuer Physikalische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Institut fuer Mineralogie, Kristallographie und Materialwissenschaften, Universitaet Leipzig (Germany); Zhang, Yuemei; Fokwa, Boniface P.T. [Department of Chemistry, University of California, Riverside, CA (United States); Bartsch, Manfred; Zacharias, Helmut [Physikalisches Institut, Westfaelische Wilhelms-Universitaet Muenster (Germany); Eckert, Hellmut [Institut fuer Physikalische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos, SP (Brazil); Janka, Oliver [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Institut fuer Chemie, Carl von Ossietzky Universitaet Oldenburg (Germany)

    2017-11-17

    The intermetallic compound CaAu{sub 2}Al{sub 2}, and the members of the solid solutions SrAu{sub 2-x}Al{sub 2+x} (0 ≤ x ≤ 0.33) and Ba{sub 3}Au{sub 5+x}Al{sub 6-x} (x = 0, 0.14, 0.49) were synthesized from the elements in sealed tantalum ampoules. The Ca compound crystallizes with the orthorhombic ThRu{sub 2}P{sub 2} type structure, whereas the targeted SrAu{sub 2}Al{sub 2} was found to form a solid solution according to SrAu{sub 2-x}Al{sub 2+x}. For the Ba system no ''BaAu{sub 2}Al{sub 2}'' was found, however, Ba{sub 3}Au{sub 5+x}Al{sub 6-x} was discovered to crystallize in the monoclinic space group C2/c with its own structure type. The samples were investigated by powder X-ray diffraction and their crystal structures were refined on the basis of single-crystal X-ray diffraction data. All compounds were characterized furthermore by susceptibility measurements. The crystallographic aluminum sites of CaAu{sub 2}Al{sub 2} and Ba{sub 3}Au{sub 5}Al{sub 6} can be differentiated by {sup 27}Al solid state NMR spectra on the basis of their different electric field gradients, in agreement with theoretical calculations. The electron transfer from the alkaline earth metals and the aluminum atoms onto the gold atoms was investigated by X-ray photoelectron spectroscopy (XPS) classifying these intermetallics as aurides, in full agreement with the calculated Bader charges. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. A facile approach to pure-phase Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles sensitive to visible light

    Energy Technology Data Exchange (ETDEWEB)

    Wang, X., E-mail: xiongwang@njust.edu.cn [School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Department of Chemistry, Faculty of Science, National University of Singapore, 3 Science Drive 3, 117543 (Singapore); Zhang, M.; Tian, P. [School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Chin, W.S. [Department of Chemistry, Faculty of Science, National University of Singapore, 3 Science Drive 3, 117543 (Singapore); Zhang, C.M. [School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)

    2014-12-01

    Graphical abstract: - Highlights: • Pure-phase Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles were prepared by a facile and environmentally benign sol–gel method. • The multiband characteristic of the nanoparticles greatly expands the visible light absorption. • The visible-light-driven photocatalytic activity of the obtained nanoparticles was improved by 30-fold as compared to the bulk. - Abstract: Pure-phase Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles with mullite-type structure were successfully fabricated through a facile and environmentally benign sol–gel process. According to the UV–Vis diffuse reflection spectrum, the multiband structure and the band edge position of the nanoparticles were confirmed, indicating the prominent absorption in the expanded visible-light region. As compared to the bulk, the visible-light-driven photocatalytic activity of the obtained nanoparticles was improved by 30-fold. The much improved photocatalytic efficiency of the sample mainly owed to the small crystal size and the multiband characteristic as well as the adding of H{sub 2}O{sub 2} as electron scavenger and a source of hydroxide free radicals instead of Fenton-like reaction, leading to a low recombination of the photogenerated e{sup −}/h{sup +} pairs.

  1. Mixed nickel-gallium tellurides Ni{sub 3−x}GaTe{sub 2} as a matrix for incorporating magnetic cations: A Ni{sub 3−x}Fe{sub x}GaTe{sub 2} series

    Energy Technology Data Exchange (ETDEWEB)

    Kuznetsov, Alexey N., E-mail: alexei@inorg.chem.msu.ru [Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1-3, GSP-1, 119991 Moscow (Russian Federation); N.S. Kurnakov Institute of General and Inorganic Chemistry, RAS, Leninsky pr. 31, GSP-1, 119991 Moscow (Russian Federation); Stroganova, Ekaterina A.; Zakharova, Elena Yu; Solopchenko, Alexander V.; Sobolev, Alexey V.; Presniakov, Igor A. [Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1-3, GSP-1, 119991 Moscow (Russian Federation); Kirdyankin, Denis I.; Novotortsev, Vladimir M. [N.S. Kurnakov Institute of General and Inorganic Chemistry, RAS, Leninsky pr. 31, GSP-1, 119991 Moscow (Russian Federation)

    2017-06-15

    Using a high-temperature ampoule technique, a series of mixed nickel-iron-gallium metal-rich tellurides with layered structures, Ni{sub 3-x}Fe{sub x}GaTe{sub 2}, were prepared and characterized based on X-ray powder diffraction, energy-dispersive spectroscopy, and {sup 57}Fe Mössbauer spectroscopy data. These compounds may be regarded as a result of partial substitution of nickel by iron in the recently reported ternary Ni{sub 3-x}GaTe{sub 2} series, which are based on NiAs/Ni{sub 2}In type of structure. The compositional boundary for the substitution was found to be at x~1. According to the Mössbauer spectroscopy data, the substitution is not statistical, and iron atoms with the increase in x tend to preferentially occupy those nickel positions that are partially vacant in the initial ternary compound. Magnetic measurements data for the Ni{sub 3-x}Fe{sub x}GaTe{sub 2} series show dramatic change in behavior from temperature-independent paramagnetic properties of the initial matrix to a low-temperature (~75 K) ferromagnetic ordering in the Ni{sub 2}FeGaTe{sub 2}. - Graphical abstract: Ordered substitution of nickel by iron in the Ni{sub 3−x}GaTe{sub 2} series leading to ferromagnetic ordering. - Highlights: • A series of Ni{sub 3−x}Fe{sub x}GaTe{sub 2} compounds were synthesized. • They adopt the NiAs/Ni{sub 2}In type of structure with ordered iron distribution. • The distribution of iron was studied using {sup 57}Fe Mössbauer spectroscopy. • An increase in iron content leads to the strong ferromagnetic coupling.

  2. Ammonothermal synthesis of alkali-alkaline earth metal and alkali-rare earth metal carbodiimides. K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}

    Energy Technology Data Exchange (ETDEWEB)

    Mallmann, Mathias; Haeusler, Jonas; Cordes, Niklas; Schnick, Wolfgang [Department of Chemistry, University of Munich (LMU) (Germany)

    2017-12-13

    Alkali-alkaline earth metal and alkali-rare earth metal carbodiimides, namely K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (x = 0 - 1) (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}, were synthesized under ammonothermal conditions in high-pressure autoclaves. The structures of the three compounds can be derived from homeotypic K{sub 5}H(CN{sub 2}){sub 3} and Na{sub 5}H(CN{sub 2}){sub 3} by partial substitution of K{sup +} or Na{sup +}by Sr{sup 2+} or Eu{sup 2+}. The reactions were carried out in two step syntheses (T{sub 1} = 673 K, T{sub 2} = 823 K) starting from sodium or potassium azide, dicyandiamide and strontium or Eu(NH{sub 2}){sub 2}, respectively. The crystal structures were solved and refined from single-crystal X-ray diffraction data [K{sub 4.16}Sr{sub 0.84}(CN{sub 2}){sub 2.84}(HCN{sub 2}){sub 0.16}: space group Im3m (no. 229), a = 7.8304(5) Aa, Z = 2, R{sub 1} = 0.024, wR{sub 2} = 0.052; K{sub 4.40}Eu{sub 0.60}(CN{sub 2}){sub 2.60}(HCN{sub 2}){sub 0.40}: space group Im anti 3m (no. 229), a = 7.8502(6) Aa, Z = 2, R{sub 1} = 0.022, wR{sub 2} = 0.049]. In contrast to the potassium carbodiimides, the sodium-strontium carbodiimide was only synthesized as microcrystalline powder. The crystal structure was determined by powder X-ray diffraction and refined by the Rietveld method [Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}: space group Im3m (no. 229), a = 7.2412(1) Aa, Z = 2, R{sub wp} = 0.050]. The presence of hydrogencyanamide units ([HNCN]{sup -}) next to carbodiimide units ([CN{sub 2}]{sup 2-}) in all compounds was confirmed by FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Crystal structures and magnetic properties of iron (III)-based phosphates: Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Essehli, Rachid, E-mail: rachid_essehli@yahoo.fr [Laboratory of Mineral Solid and Analytical Chemistry ' LCSMA' , Department of Chemistry, Faculty of Sciences, University Mohamed I, Po. Box 717, 60000 Oujda (Morocco); Bali, Brahim El [Laboratory of Mineral Solid and Analytical Chemistry ' LCSMA' , Department of Chemistry, Faculty of Sciences, University Mohamed I, Po. Box 717, 60000 Oujda (Morocco); Benmokhtar, Said [LCMS, Laboratoire de Chimie des Materiaux Solides, Departement de chimie, Faculte des Sciences Ben M' SIK, Casablanca (Morocco); Bouziane, Khalid [Physics Department, College of Science, Sultan Qaboos University, PO Box 36, Postal Code 123 Al Khod, Sultanate of Oman (Oman); Manoun, Bouchaib [Laboratoire de Physico-Chimie des Materiaux, Departement de Chimie, FST Errachidia, University Moulay Ismail, B.P. 509 Boutalamine, Errachidia (Morocco); Abdalslam, Mouner Ahmed [Materials Science, Technical University Darmstadt, Darmstadt (Germany); Ehrenberg, Helmut [IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany)

    2011-01-28

    Graphical abstract: A perspective view of the Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3} structure along the [0 0 1] direction. Both compounds seem to exibit antiferromagnetic interactions between magnetic entities at low temperature. Display Omitted Research highlights: > Nasicon and Alluaudite compounds, Iron(III)-based phosphates, Crystal structures of Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}. > Magnetism behaviours of Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}. > Antiferromagnetism interactions. > Mossbauer spectroscopy. - Abstract: Crystal structures from two new phosphates Na{sub 4}NiFe(PO{sub 4}){sub 3} (I) and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3} (II) have been determined by single crystal X-ray diffraction analysis. Compound (I) crystallizes in a rhombohedral system (S. G: R-3c, Z = 6, a = 8.7350(9) A, c = 21.643(4) A, R{sub 1} = 0.041, wR{sub 2}=0.120). Compound (II) crystallizes in a monoclinic system (S. G: C2/c, Z = 4, a = 11.729(7) A, b = 12.433(5) A, c = 6.431(2) A, {beta} = 113.66(4){sup o}, R{sub 1} = 0.043, wR{sub 2}=0.111). The three-dimensional structure of (I) is closely related to the Nasicon structural type, consisting of corner sharing [(Ni/Fe)O{sub 6}] octahedra and [PO{sub 4}] tetrahedra forming [NiFe(PO{sub 4}){sub 3}]{sup 4+} units which align in chains along the c-axis. The Na{sup +} cations fill up trigonal antiprismatic sites within these chains. The crystal structure of (II) belongs to the alluaudite type. Its open framework results from [Ni{sub 2}O{sub 10}] units of edge-sharing [NiO{sub 6}] octahedra, which alternate with [FeO{sub 6}] octahedra that form infinite chains. Coordination of these chains yields two distinct tunnels in which site Na{sup +}. The magnetization data of compound (I) reveal antiferromagnetic (AFM) interactions by the onset of deviations from a Curie-Weiss behaviour at low temperature as confirmed by Moessbauer measurements performed at 4.2 K. The

  4. Summary report of working group I CO{sub 2} capture, fixation/utilization, and disposal

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-12-31

    The topics of our working group were divided into four key areas: CO{sub 2} Capture, Utilization/Fixation, Ocean Disposal, and Land Disposal. Fourteen presentations were made as follows: CO{sub 2} Capture: Toshikatsu Hakuta (Japan) and Rod Judkins, Bruce St. John, and Alan Wolsky (US). Utilization/Fixation: Hironori Arakawa, Yasuo Asada, and Takashi lbusuki (Japan) and Ed Lipinsky (US). Ocean Disposal: Yuji Shindo (Japan) and Eric Adams, Gerard Nihous, and Wheeler North (US). Land Disposal: Shoichi Tanaka (Japan) and Roger Bailey (US/Canada). Co-chairs for this working group were Toshikatsu Hakuta (Japan) and Howard Herzog (US). This document contains only a summary outline of research needs in the area of CO{sub 2} capture and sequestration. It should be used in conjunction with other assessments made in this area. For the U.S., a DOE report entitled A Research Needs Assessment for the Capture, Utilization and Disposal of Carbon Dioxide from Fossil Fuel-Fired Power Plants will be forthcoming in 1993.

  5. EASI graphics - Version II

    International Nuclear Information System (INIS)

    Allensworth, J.A.

    1984-04-01

    EASI (Estimate of Adversary Sequence Interruption) is an analytical technique for measuring the effectiveness of physical protection systems. EASI Graphics is a computer graphics extension of EASI which provides a capability for performing sensitivity and trade-off analyses of the parameters of a physical protection system. This document reports on the implementation of the Version II of EASI Graphics and illustrates its application with some examples. 5 references, 15 figures, 6 tables

  6. Crystal structure of the alluaudite Ag{sub 2}Mn{sub 3}(VO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yahia, Hamdi Ben; Essehli, Rachid; Belharouak, Ilias [Hamad Bin Khalifa Univ., Doha (Qatar). Qatar Environment and Energy Research Inst.; Shikano, Masahiro [National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka (Japan). Research Inst. of Electrochemical Energy

    2016-07-01

    The new compound Ag{sub 2}Mn{sub 3}(VO4){sub 3} was synthesized by hydrothermal and solid state reaction routes, and its crystal structure was determined from single-crystal X-ray diffraction data. Ag{sub 2}Mn{sub 3}(VO4){sub 3} crystallizes with a monoclinic symmetry, space group C2/c, with a=11.8968(11) Aa, b=13.2057(13) Aa, c=6.8132(7) Aa, β=111.3166(15) ( ) and V=997.16(17) Aa{sup 3} (Z=4). Its crystal refinement yielded the residual factors R(F)=0.0249 and wR(F{sup 2})=0.0704 for 95 parameters and 1029 independent reflections at a 3σ(I) level. Ag{sub 2}Mn{sub 3}(VO4){sub 3} can be considered as a new member of the AA{sup '}MM{sup '}{sub 2}(XO4){sub 3} alluaudite family. The specific arrangement of M and M{sup '} octahedral sites and of X tetrahedral sites gives rise to two different channels aligned along the crystallographic c-axis and containing the A and A{sup '} sites. The A, A{sup '}, M, and X sites are fully occupied by Ag{sup +}, Mn{sup 2+}, and V{sup 5+}, respectively; whereas a Mn{sup 2+}/Mn{sup 3+} mixture is observed in the M{sup '} site.

  7. Broadband sensitized white light emission of g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphor under near ultraviolet excitation

    Energy Technology Data Exchange (ETDEWEB)

    Han, Bing, E-mail: hanbing@zzuli.edu.cn [School of Material and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002 (China); Xue, Yongfei; Li, Pengju [School of Material and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002 (China); Zhang, Jingtao [School of Food and Bioengineering, Zhengzhou University of Light Industry, Zhengzhou 450002 (China); Zhang, Jie [School of Material and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002 (China); Shi, Hengzhen, E-mail: shihz@zzuli.edu.cn [School of Material and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002 (China)

    2015-12-15

    The g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphors were synthesized and characterized by X-ray diffraction, Fourier transform-infrared spectroscopy, ultraviolet visible diffuse reflection spectra, photoluminescence spectra and luminescence decay curves. Under the excitation of 360 nm near ultraviolet light, these composite phosphors show tunable emission from blue to red region, in which white light emission can be obtained in term of appropriate quality proportion of Y{sub 2}MoO{sub 6}:Eu{sup 3+} relative to g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+}. In addition, the emission color can be also dependent on the excitation wavelength in g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphor. - Graphical abstract: Under the excitation of 360 nm near ultraviolet light, the g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphors show tunable emission from blue to red region, in which white light emission can be obtained. - Highlights: • The g-C3N4/Y2MoO6:Eu{sup 3+} composite phosphors were synthesized and characterized. • White light emission was realized in the g-C3N4/Y2MoO6:Eu{sup 3+} composites under UV excitation. • A novel idea to realize the broadband sensitized white light emission in phosphors was provided.

  8. Design and synthesis of a redox-active tc-99m radiopharmaceutical with ferrocenedithiocarboxylate [FcCS=Fe(C{sub 5}H{sub 4}CS{sub 2})(C{sub 5}H{sub 5}){sup -}

    Energy Technology Data Exchange (ETDEWEB)

    Uccelli, Licia; Bolzati, Cristina; Boschi, Alessandra; Duatti, Adriano E-mail: dta@ifeuniv.unife.it; Morin, Christophe; Pasqualini, Roberto; Giganti, Melchiore; Piffanelli, Adriano

    1999-01-01

    The synthesis, at tracer level, of two Tc-99m complexes having the same chemical composition and structure, but differing by one electron in the total electron counting, is reported. These compounds have been prepared by reacting [{sup 99m}TcO{sub 4}]{sup -} with the piperidinium salt of the ligand ferrocenedithiocarboxylate {l_brace}[Fe(II)(C{sub 5}H{sub 4}CS{sub 2})(C{sub 5}H{sub 5})]{sup -}=FcCS{r_brace}, in the presence of N-methyl S-methyldithiocarbazate as donor of N{sup 3-} groups, and triphenylphosphine or SnCl{sub 2} as reducing agents. The formation of the neutral complex [{sup 99m}Tc(N)(FcCS){sub 2}] (compound A) and of the monocationic, mixed-valence complex [{sup 99m}Tc(N)(FcCS) (FcCS*)]{sup +} (compound B) {l_brace}FcCS* [Fe(III)(C{sub 5}H{sub 4}CS{sub 2})(C{sub 5}H{sub 5})]{r_brace} was obtained in high yield. Both complexes comprise a terminal Tc{identical_to}N multiple bond and two FcCS ligands coordinated to the metal center through the two sulfur atoms of the -CS{sub 2} group, but they differ in the oxidation state of one of the two iron atoms of the coordinated FcCS ligands. In complex A, the two Fe atoms are both in the +2 oxidation state, while in B, one Fe atom is in the +2 and the other is in the +3 oxidation state. Thus, B is a mixed-valence Fe(II)-Fe(III) complex. B is easily converted into A by one-electron exchange with various reductants such as triphenylphosphine and excess SnCl{sub 2}. Biodistribution studies in rats showed that complexes A and B are mostly retained in lungs and liver without any significant uptake in organs such as heart and brain.

  9. Speaking out about physical harms from tobacco use: response to graphic warning labels among American Indian/Alaska Native communities.

    Science.gov (United States)

    Patterson Silver Wolf, David A; Tovar, Molly; Thompson, Kellie; Ishcomer, Jamie; Kreuter, Matthew W; Caburnay, Charlene; Boyum, Sonia

    2016-03-23

    This study is the first to explore the impact of graphic cigarette labels with physical harm images on members of American Indian/Alaska Native (AI/AN) communities. The aim of this article is to investigate how AI/AN respond to particular graphic warning labels. The parent study recruited smokers, at-risk smokers and non-smokers from three different age groups (youths aged 13-17 years, young adults aged 18-24 years and adults aged 25+ years) and five population subgroups with high smoking prevalence or smoking risk. Using nine graphic labels, this study collected participant data in the field via an iPad-administered survey and card sorting of graphic warning labels. This paper reports on findings for AI/AN participants. After viewing graphic warning labels, participants rated their likelihood of talking about smoking risks to friends, parents and siblings higher than their likelihood of talking to teachers and doctors. Further, this study found that certain labels (eg, the label of the toddler in the smoke cloud) made them think about their friends and family who smoke. Given the influence of community social networks on health beliefs and attitudes, health communication using graphic warning labels could effect change in the smoking habits of AI/AN community members. Study findings suggest that graphic labels could serve as stimuli for conversations about the risks of smoking among AI/AN community members, and could be an important element of a peer-to-peer smoking cessation effort. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

  10. Crystallization of Zr<sub>2sub>PdxCu>1-xsub> and Zr<sub>2sub>NixCu>1-xsub> Metallic Glass

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Min [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    One interesting aspect of rretallic glasses is the numerous instances of the deviation of the phase selection from the amorphous state to thermodynamically stable phases during the crystallization process. Their devitrification pathways allow us to study the relationship between the original amorphous structure and their crystalline counter parts. Among the various factors of phase selections, size and electronic effects have been most extensively studied. Elucidating the phase selection process of a glassy alloy will be helpful to fill in the puzzle of the changes from disordered to ordered structures. In this thesis, Two model Zr<sub>2sub>PdxCu>1-xsub> and Zr<sub>2sub>NixCu>1-xsub> (x = 0, 0.25, 0.5, 0.75 and 1) glassy systems were investigated since: (1) All of the samples can be made into a homogenous metallic glass; (2) The atomic radii differ from Pd to Cu is by 11%, while Ni has nearly the identical atomic size compare to Cu. Moreover, Pd and Ni differ by only one valence electron from Cu. Thus, these systems are ideal to test the idea of the effects of electronic structure and size factors; (3) The small number of components in these pseudo binary systems readily lend themselves to theoretical modeling. Using high temperature X-ray diffraction (HTXRD) and thermal analysis, topological, size, electronic, bond and chemical distribution factors on crystallization selections in Zr<sub>2sub>PdxCu>1-xsub> and Zr<sub>2sub>NixCu>1-xsub> metallic glass have been explored. All Zr<sub>2sub>PdxCu>1-xsub> compositions share the same Cu11b phase with different pathways of meta-stable, icosahedral quasicrystalline phase (i-phase), and C16 phase formations. The quasicrystal phase formation is topologically related to the increasing icosahedral short range order (SRO) with Pd content in Zr<sub>2sub>PdxCu>1-xsub> system. Meta-stable C16 phase is competitive with

  11. Synthesis and luminescent properties of two different Y{sub 2}WO{sub 6}:Eu{sup 3+} phosphor phases

    Energy Technology Data Exchange (ETDEWEB)

    Llanos, Jaime, E-mail: jllanos@ucn.cl [Departamento de Química, Universidad Católica del Norte, Avda. Angamos 0610, Antofagasta (Chile); Olivares, Douglas [Departamento de Química, Universidad Católica del Norte, Avda. Angamos 0610, Antofagasta (Chile); Manríquez, Víctor; Espinoza, Darío [Departamento de Química, Universidad de Chile, Las Palmeras 3425, Santiago (Chile); Brito, Ivan [Departamento de Química, Universidad de Antofagasta, Campus Coloso, Antofagasta (Chile)

    2015-04-15

    Highlights: • Synthesis of two phases Y{sub 2−x}Eu{sub x}WO{sub 6}. One of them crystallizes as Aurivillius phase. • Optical properties of the phosphors Y{sub 2}WO{sub 6}:Eu{sup 3+} (monoclinic and orthorhombic phases). • The orthorhombic phase was prepared via low-temperature combustion synthesis method. - Abstract: In this paper, two different Y{sub 2−x}Eu{sub x}WO{sub 6} phases were synthesized. The monoclinic phase was prepared via a conventional solid-state reaction, whereas the orthorhombic phase was obtained via a facile, low-temperature combustion synthesis method. X-ray diffraction (XRD), scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and photoluminescence (PL) spectroscopy were used to characterize the resulting phosphors. The XRD results indicate the orthorhombic phase crystallized isostructurally with the Aurivillius Bi{sub 2}WO{sub 6} phase, whereas the other polymorph crystallized isostructurally with Yb{sub 2}WO{sub 6} in the monoclinic system. The SEM studies revealed both phases had a strong tendency to form agglomerates averaging nanometers in size. The photoluminescence emission spectra confirmed all of the samples were efficiently excited by near UV light and were dominated by the electric dipole transition {sup 5}D{sub 0} → {sup 7}F{sub 2}. The orthorhombic Y{sub 2−x}Eu{sub x}WO{sub 6} excitation spectrum possessed a broad band across the entire UV region (220–400 nm); therefore, Y{sub 1.86}Eu{sub 0.14}WO{sub 6} could be considered an efficient spectral converter material for use in dye-sensitized solar cells.

  12. Synthesize and characterize of Ag{sub 3}VO{sub 4}/TiO{sub 2} nanorods photocatalysts and its photocatalytic activity under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Xuejun [Department of Environmental Science and Technology, Dalian Nationalities University, Dalian 116600 (China); Dong, Yuying, E-mail: dongy@dlnu.edu.cn [Department of Environmental Science and Technology, Dalian Nationalities University, Dalian 116600 (China); Zhang, Xiaodong, E-mail: fatzhxd@126.com [Environment and Low-Carbon Research Center, School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai 200093 (China); Cui, Yubo [Department of Environmental Science and Technology, Dalian Nationalities University, Dalian 116600 (China)

    2016-03-15

    Graphical abstract: - Highlights: • Ag{sub 3}VO{sub 4}/TiO{sub 2} nanorods were prepared by sol–gel with hydrothermal method. • Toluene removal efficiency was 70% in 4 h using the Ag{sub 3}VO{sub 4}/TiO{sub 2}. • Benzyl alcohol and benzaldehyde were intermediates, and partially mineralized. - Abstract: In this paper, in order to expand the light response range of TiO{sub 2}, Ag{sub 3}VO{sub 4}/TiO{sub 2} nanorods photocatalysts were fabricated by a simple sol–gel method with microwave and hydrothermal method. The as-prepared samples were characterized by XRD, SEM, DRS, XPS and N{sub 2} adsorption–desorption. Meanwhile, their photocatalytic properties were investigated by the degradation of toluene under visible light irradiation. The degradation conversation of toluene had gotten to about 70% in 1% Ag{sub 3}VO{sub 4}/TiO{sub 2} nanorods after reaction 4 h. The predominant photocatalytic activity can be attributed to its strong absorption in visible light region and excellent charge separation characteristics. By using in situ FTIR, benzyl alcohol and benzaldehyde species could be observed during the reaction and the formed intermediates would be partially oxidized into CO{sub 2} and H{sub 2}O. Electron spin resonance confirmed that OH· and O{sub 2}·{sup −} were involved in the photocatalytic degradation of toluene.

  13. Effect of rutile TiO{sub 2} on the photocatalytic performance of g-C{sub 3}N{sub 4}/brookite-TiO{sub 2-x}N{sub y} photocatalyst for NO decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Li, Huihui, E-mail: lihh@lzu.edu.cn [Key Laboratory for Magnetism Magnetic Materials of the Ministry of Education, Lanzhou University, 222 south Tianshui Road, Lanzhou, 730000 (China); Wu, Xiaoyong [Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070 (China); Yin, Shu [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Katsumata, Kenichi [Photocatalysis International Research Center, Research Institute for Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba, 278-8510 (Japan); Wang, Yuhua [Key Laboratory for Magnetism Magnetic Materials of the Ministry of Education, Lanzhou University, 222 south Tianshui Road, Lanzhou, 730000 (China)

    2017-01-15

    Graphical abstract: g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}Ny forms a Z-scheme photocatalytic system, which shows improvement on the photocatalytic activity than that of g-C{sub 3}N{sub 4}/single brookite TiO{sub 2-x}N{sub y}. - Highlights: • g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}N{sub y} forms a Z-scheme photocatalytic system. • Photogenerated electrons can efficiently transfer from rutile TiO{sub 2} to g-C{sub 3}N{sub 4}. • Single brookite TiO{sub 2-x}N{sub y} shows lower photo-utilization efficiency than rutile-brookite mixed one. • DeNO{sub x} activities of brookite TiO{sub 2-x}N{sub y} hybrids decrease with g-C{sub 3}N{sub 4} amount increase. - Abstract: Novel g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}N{sub y} composite photocatalysts were fabricated through a facile solvothermal approach. The effect of rutile phase TiO{sub 2} with brookite TiO{sub 2} and g-C{sub 3}N{sub 4} on the photocatalytic activity of g-C{sub 3}N{sub 4}/nitrogen-doped TiO{sub 2} composite was studied. The photocatalytic performance of the photocatalyst was evaluated by measuring the degradation of NO gas under visible and UV light irradiation. It is suggested that g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}N{sub y} forms a Z-scheme photocatalytic system, which shows improvement on the photocatalytic activity than that of g-C{sub 3}N{sub 4}/single brookite TiO{sub 2-x}N{sub y}. By importing rutile phase TiO{sub 2-x}N{sub y}, the photogenerated electrons can efficiently transfer from rutile TiO{sub 2} to g-C{sub 3}N{sub 4}, which results in the separation of electron and hole pairs, enhancing the photocatalytic ability. However, single brookite TiO{sub 2-x}N{sub y} can not remove the photogenerated electrons efficiently and the photocatalytic performances of composites decrease with g-C{sub 3}N{sub 4} amount increase.

  14. A handbook of statistical graphics using SAS ODS

    CERN Document Server

    Der, Geoff

    2014-01-01

    An Introduction to Graphics: Good Graphics, Bad Graphics, Catastrophic Graphics and Statistical GraphicsThe Challenger DisasterGraphical DisplaysA Little History and Some Early Graphical DisplaysGraphical DeceptionAn Introduction to ODS GraphicsGenerating ODS GraphsODS DestinationsStatistical Graphics ProceduresODS Graphs from Statistical ProceduresControlling ODS GraphicsControlling Labelling in GraphsODS Graphics EditorGraphs for Displaying the Characteristics of Univariate Data: Horse Racing, Mortality Rates, Forearm Lengths, Survival Times and Geyser EruptionsIntroductionPie Chart, Bar Cha

  15. Preparation of Ag{sub 2}O/Ag{sub 2}CO{sub 3}/MWNTs composite photocatalysts for enhancement of ciprofloxacin degradation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Huiqin [School of Materials Science & Engineering, Jiangsu University, Zhenjiang 212013 (China); Li, Jinze [School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Huo, Pengwei, E-mail: huopw1@163.com [School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Institute of Green Chemistry and Chemical Technology, Jiangsu University, Zhenjiang 212013 (China); Yan, Yongsheng [School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Institute of Green Chemistry and Chemical Technology, Jiangsu University, Zhenjiang 212013 (China); Guan, Qingfeng [School of Materials Science & Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2016-03-15

    Graphical abstract: - Highlights: • Ag{sub 2}O/Ag{sub 2}CO{sub 3}/MWNTs were prepared by calcination of the obtained precipitate. • The holes were main contributor for the degradation processes of ciprofloxacin. • The synergistic effect enhanced the activity and stability of composites. - Abstract: The Ag{sub 2}O/Ag{sub 2}CO{sub 3}/multi-walled carbon nanotube (MWNTs) composite photocatalysts were prepared by calcination of the obtained precipitate. The structures and morphology of as-prepared composite photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), diffuse reflectance spectroscopy (DRS), photoluminescence (PL) spectroscopy, X-ray photoelectron spectroscopy (XPS). The Ag{sub 2}O/Ag{sub 2}CO{sub 3}/MWNTs composite photocatalysts exhibit higher degradation rate of ciprofloxacin (CIP) than the pure Ag{sub 2}CO{sub 3}, Ag{sub 2}O/Ag{sub 2}CO{sub 3} and Ag{sub 2}CO{sub 3}/MWNTs under visible light irradiation. The amount of loaded Ag{sub 2}CO{sub 3} onto MWNTs and calcined time for Ag{sub 2}CO{sub 3}/MWNTs were systematically investigated, and the optimal amount of loaded Ag{sub 2}CO{sub 3} and calcined time of Ag{sub 2}CO{sub 3}/MWNTs are 150 wt% and 10 min, respectively. The highest photocatalytic degradation rate of CIP could reach 76% under optimal conditions. The active species trapping experiments were also analyzed, the results show that the holes are main contributor for the degradation processes of CIP, furthermore the electrons, ·O{sub 2}{sup −} and ·OH are also crucially influenced the photocatalytic degradation processes of CIP. The possible photocatalytic processes of CIP with Ag{sub 2}O/Ag{sub 2}CO{sub 3}/MWNTs composite photocatalyst are also proposed.

  16. Efficiency of Cu{sub 2}O/BiVO{sub 4} particles prepared with a new soft procedure on the degradation of dyes under visible-light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Aguilera-Ruiz, Eduardo [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, Centro de Investigación e Innovación en Ingeniería Aeronáutica, Carretera a Salinas Victoria, Km 2.3, 66600 Apodaca, NL (Mexico); García-Pérez, Ulises M., E-mail: ulisesma.garcia@gmail.com [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, Centro de Investigación e Innovación en Ingeniería Aeronáutica, Carretera a Salinas Victoria, Km 2.3, 66600 Apodaca, NL (Mexico); Garza-Galván, María de la; Zambrano-Robledo, Patricia; Bermúdez-Reyes, Bárbara [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, Centro de Investigación e Innovación en Ingeniería Aeronáutica, Carretera a Salinas Victoria, Km 2.3, 66600 Apodaca, NL (Mexico); and others

    2015-02-15

    Graphical abstract: - Highlights: • Cu{sub 2}O/BiVO{sub 4} p–n heterojunctions were synthesized by a simple impregnation method. • The photocatalytic performance was evaluated using a LED lamp as visible source. • The composite with 1 wt.% of Cu{sub 2}O exhibits the best visible-light-activity. • A mechanism for the carriers transfer is proposed. • Factors as pH and O{sub 2} were found to influence the degradation rate. - Abstract: Cu{sub 2}O/BiVO{sub 4} composites with different concentrations of Cu{sub 2}O were synthesized by a simple impregnation method at 200 °C under N{sub 2} atmosphere for 4 h. The as-synthesized samples were characterized by X-ray powder diffraction, scanning electron microscopy, UV–vis diffuse reflection absorption and vis photoluminescence. The morphology of the as-synthesized composites with different weight ratios of Cu{sub 2}O is composed by quasi-spherical and dendrite-like particles. The photocatalytic performance of the Cu{sub 2}O/BiVO{sub 4} composites was evaluated by degradation of methyl orange solutions under visible-LED irradiation. The results obtained show that the photocatalytic behavior of the p–n heterojunction Cu{sub 2}O/BiVO{sub 4} composites was better than pure Cu{sub 2}O and BiVO{sub 4}. The variation of the reaction parameters, such as solution pH and presence of O{sub 2}, improved the photocatalytic performance of Cu{sub 2}O/BiVO{sub 4} composite. Meanwhile, a possible mechanism for methyl orange photocatalytic degradation over Cu{sub 2}O/BiVO{sub 4} photocatalysts was proposed. The chemical stability and reusability of Cu{sub 2}O/BiVO{sub 4} powders were also investigated.

  17. Graphical Turbulence Guidance - Composite

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Forecast turbulence hazards identified by the Graphical Turbulence Guidance algorithm. The Graphical Turbulence Guidance product depicts mid-level and upper-level...

  18. Structure and magnetic properties of SiO{sub 2}/PCL novel sol–gel organic–inorganic hybrid materials

    Energy Technology Data Exchange (ETDEWEB)

    Catauro, Michelina, E-mail: michelina.catauro@unina2.it [Department of Industrial and Information Engineering, Second University of Naples, Via Roma 29, 81031 Aversa (Italy); Bollino, Flavia [Department of Industrial and Information Engineering, Second University of Naples, Via Roma 29, 81031 Aversa (Italy); Cristina Mozzati, Maria [Department of Physics, CNISM and INSTM, University of Pavia, Via Bassi 6, 27100 Pavia (Italy); Ferrara, Chiara; Mustarelli, Piercarlo [Department of Chemistry, Section of Physical Chemistry, University of Pavia and INSTM, Via Taramelli 16, 27100 Pavia (Italy)

    2013-07-15

    Organic–inorganic nanocomposite materials have been synthesized via sol–gel. They consist of an inorganic SiO{sub 2} matrix, in which different percentages of poly(ε-caprolactone) (PCL) have been incorporated. The formation of H-bonds among the carbonyl groups of the polymer chains and Si–OH group of the inorganic matrix has been proved by means of Fourier transform infrared spectroscopy (FT-IR) analysis and has been confirmed by solid-state nuclear magnetic resonance (NMR). X-Ray diffraction (XRD) analysis highlighted the amorphous nature of the synthesized materials. Scanning electron microscope (SEM) micrograph and atomic force microscope (AFM) topography showed their homogeneous morphology and nanostructure nature. Considering the opportunity to synthesize these hybrid materials under microgravity conditions by means of magnetic levitation, superconducting quantum interference device (SQUID) magnetometry has been used to quantify their magnetic susceptibility. This measure has shown that the SiO{sub 2}/PCL hybrid materials are diamagnetic and that their diamagnetic susceptibility is independent of temperature and increases with the PCL amount. - Graphical abstract: Characterization and magnetic properties of SiO{sub 2}/PCL organic–inorganic hybrid materials synthesized via sol–gel. FT-IR, Fourier transform infrared spectroscopy; solid-state NMR: solid-state nuclear magnetic resonance; SQUID: superconducting quantum interference device. - Highlights: • Sol–gel synthesis of SiO{sub 2}/PCL amorphous class I organic–inorganic hybrid materials. • FT-IR and NMR analyses show the hydrogen bonds formation between SiO{sub 2} and PCL. • AFM and SEM analyses confirm that the SiO{sub 2}/PCL are homogenous hybrid materials. • The SQUID measures show that the simples are diamagnetic. • Diamagnetic susceptibility of SiO{sub 2}/PCL materials increases with the PCL amount.

  19. Integrating user studies into computer graphics-related courses.

    Science.gov (United States)

    Santos, B S; Dias, P; Silva, S; Ferreira, C; Madeira, J

    2011-01-01

    This paper presents computer graphics. Computer graphics and visualization are essentially about producing images for a target audience, be it the millions watching a new CG-animated movie or the small group of researchers trying to gain insight into the large amount of numerical data resulting from a scientific experiment. To ascertain the final images' effectiveness for their intended audience or the designed visualizations' accuracy and expressiveness, formal user studies are often essential. In human-computer interaction (HCI), such user studies play a similar fundamental role in evaluating the usability and applicability of interaction methods and metaphors for the various devices and software systems we use.

  20. Nanospherical composite of WO{sub 3} wrapped NaTaO{sub 3}: Improved photodegradation of tetracycline under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Lingnan; Lang, Junyu; Wang, Shuwei; Chai, Zhanli; Su, Yiguo; Wang, Xiaojing, E-mail: wang_xiao_jing@hotmail.com

    2016-12-01

    Graphical abstract: - Highlights: • A novel ternary NaTaO{sub 3}@WO{sub 3} photocatalyst was successfully fabricated. • NaTaO{sub 3}@WO{sub 3} composites exhibited spherical assemblies with fine WO{sub 3} nanosheets wrapped on the cube NaTaO{sub 3} nanoparticles. • NaTaO{sub 3}@WO{sub 3} showed the enhanced photocatalytic performance in the tetracycline hydrochloride degradation under visible light irradiation. • An adsorption−degradation photocatalytic mechanism promoted through a Z-type heterojunction was proposed. - Abstract: In this paper, WO{sub 3}-wrapped NaTaO{sub 3} nanospheres photocatalysts with different W/Ta molar ratios were successfully prepared via a facile hydrothermal method. The samples were characterized by X-ray diffraction, transmission and scan electron microscopy, X-ray photoelectron spectroscopy, FT-IR spectrum, UV−vis diffuse reflectance spectroscopy, and Barrett−Emmett−Teller technique. The photocatalytic activities for degrading tetracycline hydrochloride under visible light irradiation were examined. The results indicated that the as-prepared NaTaO{sub 3}@WO{sub 3} photocatalysts showed the obvious enhancement in the tetracycline hydrochloride degradation ratio, compared with the pure NaTaO{sub 3} and WO{sub 3} under visible light irradiation. The optimum percentage of NaTaO{sub 3}@WO{sub 3} composites with a 60.88% degradation rate was W:Ta = 0.3:1 in mole, which was mainly attributed to the effective separation of the photo-generated electron and hole as well as the expanding of the absorption edge to the visible region due to the spherical heterojunction by wrapping WO{sub 3} on the surface of NaTaO{sub 3}. The radicals trapping experiments demonstrated that there were multiple active species during the degrading process of TC. The possible mechanism of tetracycline hydrochloride degradation by NaTaO{sub 3}@WO{sub 3} composite was also proposed.

  1. Subjective evaluation of physical and mental workload interactions across different muscle groups.

    Science.gov (United States)

    Mehta, Ranjana K; Agnew, Michael J

    2015-01-01

    Both physical and mental demands, and their interactions, have been shown to increase biomechanical loading and physiological reactivity as well as impair task performance. Because these interactions have shown to be muscle-dependent, the aim of this study was to determine the sensitivity of the NASA Task Load Index (NASA TLX) and Ratings of Perceived Exertion (RPE) to evaluate physical and mental workload during muscle-specific tasks. Twenty-four participants performed upper extremity and low back exertions at three physical workload levels in the absence and presence of a mental stressor. Outcome measures included RPE and NASA TLX (six sub-scales) ratings. The findings indicate that while both RPEs and NASA TLX ratings were sensitive to muscle-specific changes in physical demand, only an additional mental stressor and its interaction with either physical demand or muscle groups influenced the effort sub-scale and overall workload scores of the NASA TLX. While additional investigations in actual work settings are warranted, the NASA TLX shows promise in evaluating perceived workload that is sensitive not only to physical and mental demands but also sensitive in determining workload for tasks that employ different muscle groups.

  2. Deterministic Graphical Games Revisited

    DEFF Research Database (Denmark)

    Andersson, Daniel; Hansen, Kristoffer Arnsfelt; Miltersen, Peter Bro

    2008-01-01

    We revisit the deterministic graphical games of Washburn. A deterministic graphical game can be described as a simple stochastic game (a notion due to Anne Condon), except that we allow arbitrary real payoffs but disallow moves of chance. We study the complexity of solving deterministic graphical...... games and obtain an almost-linear time comparison-based algorithm for computing an equilibrium of such a game. The existence of a linear time comparison-based algorithm remains an open problem....

  3. Synthetic shibkovite K(K{sub 1.67}H{sub 2}O{sub 0.33})(Ca{sub 1.3}Na{sub 0.7})[Zn{sub 3}Si{sub 12}O{sub 30}]: the crystal structure and comparative crystal chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kiriukhina, G. V., E-mail: g-biralo@yandex.ru; Yakubovich, O. V.; Dimitrova, O. V. [Moscow State University, Faculty of Geology (Russian Federation)

    2015-01-15

    The structure of a single crystal of a synthetic analog of mineral shibkovite K(K{sub 1.67}H{sub 2}O{sub 0.33})(Ca{sub 1.3}Na{sub 0.7})[Zn{sub 3}Si{sub 12}O{sub 30}] (milarite structure type) obtained by hydrothermal synthesis in the AlPO{sub 4}-K{sub 3}PO{sub 4}-CaCO{sub 3}-Na{sub 2}CO{sub 3}-ZnCO{sub 3}-SiO{sub 2}-H{sub 2}O system has been solved (R = 0.0406) by X-ray diffraction analysis: a = 10.5327(2) Å, c = 14.2019(3) Å, sp. gr. P6/mcc, Z = 2, and ρ{sub calcd} = 2.90 g/cm{sup 3}. The crystal-chemical features of the new phase are studied in comparison with the other terms of the milarite group. It is shown that the crystallization conditions for minerals and synthetic analogs of this group determine the presence or absence of crystallization water in the structures of compounds.

  4. Electronic structures, elastic properties, and minimum thermal conductivities of cermet M{sub 3}AlN

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Key Laboratory of Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Chen, ZhiQian, E-mail: chen_zq@swu.edu.cn [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Li, ChunMei; Li, Feng; Nie, ChaoYin [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China)

    2014-08-15

    The electronic structures and elastic anisotropies of cubic Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN are investigated by pseudopotential plane-wave method based on density functional theory. At the Fermi level, the electronic structures of these compounds are successive with no energy gap between conduct and valence bands, and exhibit metallicity in ground states. In valence band of each partial density of states, the different orbital electrons indicate interaction of corresponding atoms. In addition, the anisotropy of Hf{sub 3}AlN is found to be significantly different from that of Ti{sub 3}AlN and Zr{sub 3}AlN, which involve the differences in the bonding strength. It is notable that Hf{sub 3}AlN is a desired thermal barrier material with the lowest thermal conductivity at high temperature among the three compounds. - Graphical abstract: 1.Young's moduli of anti-perovskite Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN in full space. 2.Electron density differences on crystal planes (1 0 0), (2 0 0), and (1 1 0) of anti-perovskite Zr{sub 3}AlN. - Highlights: • We calculated three anti-perovskite cermets with first-principles theory. • We illustrated 3D Young modulus and found the anomalous anisotropy. • We explained the anomaly and calculated the minimum thermal conductivities.

  5. First-principles insights on electron transport in V{sub 2}O{sub 5} nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Anurag [Advanced Materials Research Group, Computational Nanoscience and Technology Laboratory, Atal Bihari Vajpayee-Indian Institute of Information Technology and Management, Gwalior, Madhya Pradesh 474015 (India); Chandiramouli, R., E-mail: rcmoulii@gmail.com [School of Electrical and Electronics Engineering, Shanmugha Arts Science Technology and Research Academy (SASTRA) University, Tirumalaisamudram, Thanjavur, Tamil Nadu 613 401 (India)

    2015-11-15

    Graphical abstract: - Highlights: • Band structure and electron transport in V{sub 2}O{sub 5} nanostructure are investigated using density functional theory. • V{sub 2}O{sub 5} nanostructure exhibits semiconducting behavior. • The electron density is observed to be more in oxygen sites than in vanadium sites. • The electron transport in V{sub 2}O{sub 5} molecular device can be tuned with the applied bias voltage. - Abstract: The present report is on the electron transport properties of V{sub 2}O{sub 5} nanostructures, investigated using density functional theory. As the band structure of V{sub 2}O{sub 5} exhibits semiconducting nature, the V{sub 2}O{sub 5} nanostructures are designed as molecular device and the transport properties are studied. The density of electrons is found to be more in the oxygen sites than in vanadium sites. The device density of states shows that the density of electrons in the energy intervals depends on the applied bias voltage. The transmission spectrum gives the insight on the transport property of V{sub 2}O{sub 5} molecular device. The bias voltage drives the electrons across V{sub 2}O{sub 5} scattering region, where the transmission along V{sub 2}O{sub 5} molecular device mainly depends on the bias voltage. The findings of the present work give insights to fine-tune the transport property of V{sub 2}O{sub 5} molecular device upon varying the bias voltage.

  6. Trend Monitoring System (TMS) graphics software

    Science.gov (United States)

    Brown, J. S.

    1979-01-01

    A prototype bus communications systems, which is being used to support the Trend Monitoring System (TMS) and to evaluate the bus concept is considered. A set of FORTRAN-callable graphics subroutines for the host MODCOMP comuter, and an approach to splitting graphics work between the host and the system's intelligent graphics terminals are described. The graphics software in the MODCOMP and the operating software package written for the graphics terminals are included.

  7. Collection Of Software For Computer Graphics

    Science.gov (United States)

    Hibbard, Eric A.; Makatura, George

    1990-01-01

    Ames Research Graphics System (ARCGRAPH) collection of software libraries and software utilities assisting researchers in generating, manipulating, and visualizing graphical data. Defines metafile format containing device-independent graphical data. File format used with various computer-graphics-manipulation and -animation software packages at Ames, including SURF (COSMIC Program ARC-12381) and GAS (COSMIC Program ARC-12379). Consists of two-stage "pipeline" used to put out graphical primitives. ARCGRAPH libraries developed on VAX computer running VMS.

  8. Fabrication and photoelectrochemical characteristics of In{sub 2}S{sub 3} nano-flower films on TiO{sub 2} nanorods arrays

    Energy Technology Data Exchange (ETDEWEB)

    Han, Minmin; Yu, Limin; Chen, Wenyuan [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100080 (China); Wang, Wenzhen, E-mail: wzhwang@licp.cas.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Jia, Junhong, E-mail: jhjia@licp.cas.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2016-04-30

    Graphical abstract: - Highlights: • In{sub 2}S{sub 3} nano-flower films are deposited on TiO{sub 2} nanorods by a hydrothermal method. • The roles of PSS and PEG on structure controlling of In{sub 2}S{sub 3} films are discussed. • The energy conversion efficiency of In{sub 2}S{sub 3}/TiO{sub 2} enhances thrice than TiO{sub 2}. - Abstract: The In{sub 2}S{sub 3} nano-flower films on TiO{sub 2}/FTO (Fluorine-doped tin oxide) substrates were synthesized via hydrothermal method and the photoelectrochemical performances of In{sub 2}S{sub 3}/TiO{sub 2} photoelectrodes were characterized. The roles of PSS (poly(sodium-p-styrenesul-fonate)) and PEG (polyethylene glycol) on the structure controlling of In{sub 2}S{sub 3} films were also discussed. The results show that the In{sub 2}S{sub 3} nano-flower films consisted of ultrathin nanoflakes with a thickness of 5 nm are successfully grew on the surface of TiO{sub 2} nanorod arrays. PEG could play a role as the morphology-directing agent by confining crystal growth in certain directions, while PSS could provide coordination sites with long chains and lead to the formation of spherical structure. The energy conversion efficiency of In{sub 2}S{sub 3} nano-flower/TiO{sub 2} photoelectrodes enhances thrice compared with that of bare TiO{sub 2} photoelectrode. This research presents further insight for improving the efficiency of semiconductors by using the suitable electron transfer channels, which may be promising for rational construction of solar conversion and storage devices.

  9. Sub-strains of Drosophila Canton-S differ markedly in their locomotor behavior [v2; ref status: indexed, http://f1000r.es/57i

    Directory of Open Access Journals (Sweden)

    Julien Colomb

    2015-04-01

    Full Text Available We collected five sub-strains of the standard laboratory wild-type Drosophila melanogaster Canton Special (CS and analyzed their walking behavior in Buridan's paradigm using the CeTrAn software. According to twelve different aspects of their behavior, the sub-strains fit into three groups. The group separation appeared not to be correlated with the origin of the stocks. We conclude that founder effects but not laboratory selection likely influenced the gene pool of the sub-strains. The flies’ stripe fixation was the parameter that varied most. Our results suggest that differences in the genome of laboratory stocks can render comparisons between nominally identical wild-type stocks meaningless. A single source for control strains may settle this problem.

  10. Exchange bias behavior in Ni{sub 50.0}Mn{sub 35.5} In{sub 14.5} ribbons annealed at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, T. [Dept. de Fisica, Universidad de Oviedo, Calvo Sotelo s/n, 33007 Oviedo (Spain); Sato Turtelli, R.; Groessinger, R. [Institut fur Festkoerperphysik, Technische Universitaet Wien, Wiedner Hauptstr. 8-10, 1040 Vienna (Austria); Sanchez, M.L.; Santos, J.D.; Rosa, W.O.; Prida, V.M. [Dept. de Fisica, Universidad de Oviedo, Calvo Sotelo s/n, 33007 Oviedo (Spain); Escoda, Ll.; Sunol, J.J. [Campus de Montilivi, Universidad de Girona, edifici PII, Lluis Santalo s/n. 17003 Girona (Spain); Koledov, V. [Kotelnikov Institute of Radio Engineering and Electronics, RAS, Moscow 125009 (Russian Federation); Hernando, B., E-mail: grande@uniovi.es [Dept. de Fisica, Universidad de Oviedo, Calvo Sotelo s/n, 33007 Oviedo (Spain)

    2012-10-15

    Heusler alloy Ni{sub 50.0}Mn{sub 35.5}In{sub 14.5} ribbons were prepared by melt-spinning technique. Several short time annealings were carried out in order to enhance the exchange bias effect in this alloy ribbon. The magnetic transition temperature increases with the annealing, compared to the as-spun sample, however no significant differences in respective Curie temperatures were observed for austenite and martensite phases in such annealed samples. Exchange bias effect is observed at low temperatures for all samples and practically vanishes at 60 K for the as-spun sample, whereas for the annealed ribbons it vanishes at 100 K.

  11. Visible-light photocatalytic activity of graphene oxide-wrapped Bi{sub 2}WO{sub 6} hierarchical microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Jiali; Yu, Hongwen, E-mail: yuhw@iga.ac.cn; Li, Haiyan; Sun, Lei; Zhang, Kexin; Yang, Hongjun

    2015-07-30

    Graphical abstract: - Highlights: • GO/Bi{sub 2}WO{sub 6} are readily fabricated by facile bubbling pretreatment and freeze drying. • GO/Bi{sub 2}WO{sub 6} possess excellent photocatalytic activity under visible light irradiation. • The visible light activity of GO/Bi{sub 2}WO{sub 6} is affected by the amount of GO. • The photostablity of GO is due to the photo-generated electrons transfer to Bi{sub 2}WO{sub 6}. - Abstract: A facile approach of fabricating homogeneous graphene oxide (GO)-wrapped Bi{sub 2}WO{sub 6} microspheres (GO/Bi{sub 2}WO{sub 6}) is developed. The transmission electron microscopy (TEM) results show that a heterojunction interface between GO and Bi{sub 2}WO{sub 6}. The UV–vis diffuse reflection spectra (DRS) reveal that the as-prepared GO/Bi{sub 2}WO{sub 6} composites own more intensive absorption in the visible light range compared with pure Bi{sub 2}WO{sub 6}. These characteristic structural and optical properties endow GO/Bi{sub 2}WO{sub 6} composites with enhanced photocatalytic activity. The enhanced photocatalytic activity of the GO/Bi{sub 2}WO{sub 6} is attributed predominantly to the synergetic effect between GO and Bi{sub 2}WO{sub 6}, causing rapid generation and separation of photo-generated charge carriers.

  12. On the “alpha-phase” of Ca{sub 2−x}Sr{sub x}MnO{sub 4} and extending the chemistry of Sr{sub 7−y}Ca{sub y}Mn{sub 4}O{sub 15} to y>1

    Energy Technology Data Exchange (ETDEWEB)

    Craddock, Sarah; Senn, Mark S.

    2017-04-15

    There has been renewed interest in the Ruddlesden-Popper phase (n=2) of composition Ca{sub n+1}Mn{sub n}O{sub 3} {sub n+1} in the light of recent research that has highlighted the nature of the improper ferroelectric ground state, which arises due to the couplings between specific combinations of MnO{sub 6} octahedral rotations and tilts. A fruitful route to control these octahedral degrees of freedom, and hence such desired physical properties, is through chemical substitution on the A–site cation i.e. Ca{sub 2−x}Sr{sub x}MnO{sub 4} for n =1, and in light of this, we have reinvestigated the chemistry of this solid solution. Here we focus on a common impurity phase observed during this synthesis which has been termed the “alpha-phase” in the literature. We show that this impurity phase is actually comprised mainly of a structure related to Sr{sub 7}Mn{sub 4}O{sub 15} but is found here with significantly higher Ca substitution than previously believed possible. Sr{sub 7}Mn{sub 4}O{sub 15} is an interesting structural type in its own right, but has been mainly overlooked to date, exhibiting interesting physics related to low dimensional magnetic ordering and dimer interactions, and we show here that the structural type is a likely candidate for exhibiting a multiferroic ground state. The prospect of being able to tune the lattice and the exchange interactions through further chemical substitution is likely to lead to a renewed interest in this material. - Graphical abstract: Extending the chemistry of Sr{sub 7−y}Ca{sub y}Mn{sub 4}O{sub 15} beyond y>1, revealing highly anisotropic cation ordering and tunable magnetic properties. - Highlights: • Chemistry of the unique structural type Sr{sub 7}Mn{sub 4}O{sub 15} is extended to high Ca concentrations. • Cation occupancy model is determined, showing highly anisotropic solubility of Ca on the 7 unique Sr crystallographic sites. • Anomalies in the magnetic susceptibility data are discussed with reference to

  13. Accessing alkali-free NASICON-type compounds through mixed oxoanion sol–gel chemistry: Hydrogen titanium phosphate sulfate, H{sub 1−x}Ti{sub 2}(PO{sub 4}){sub 3−x}(SO{sub 4}){sub x} (x=0.5–1)

    Energy Technology Data Exchange (ETDEWEB)

    Mieritz, Daniel; Davidowski, Stephen K.; Seo, Dong-Kyun, E-mail: dseo@asu.edu

    2016-10-15

    We report a direct sol–gel synthesis and characterization of new proton-containing, rhombohedral NASICION-type titanium compounds with mixed phosphate and sulfate oxoanions. The synthetic conditions were established by utilizing peroxide ion as a decomposable and stabilizing ligand for titanyl ions in the presence of phosphates in a strong acidic medium. Thermogravimetric analysis (TGA), powder X-ray diffraction (PXRD), induction-coupled plasma optical emission spectroscopic (ICP-OES) elemental analysis, and Raman and {sup 1}H magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopic studies have determined the presence of sulfate and proton ions in the structure, for which the compositional range has been found to be H{sub 1−x}Ti{sub 2}(PO{sub 4}){sub 3−x}(SO{sub 4}){sub x} (x=0.5–1). The particulate products exhibit a nanocrystalline nature observed through characterization with scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The N{sub 2} sorption isotherm measurements and subsequent Brunauer–Emmett–Teller (BET) and Barrett–Joyner–Halenda (BJH) analyses confirmed the presence of the textural meso- and macropores in the materials. Future studies would determine the potential of the new compounds in various applications as battery materials, proton conductors and solid acid catalysts. - Graphical abstract: A series of proton-containing NASICON-type compounds, H{sub 1−x}Ti{sub 2}(PO{sub 4}){sub 3−x}(SO{sub 4}){sub x} (x=0.5–1), were discovered through a new sol–gel synthetic method that utilizes peroxide ion as a decomposable and stabilizing ligand for titanyl ions in the presence of phosphates in a strong acidic medium.

  14. An interactive graphics program to retrieve, display, compare, manipulate, curve fit, difference and cross plot wind tunnel data

    Science.gov (United States)

    Elliott, R. D.; Werner, N. M.; Baker, W. M.

    1975-01-01

    The Aerodynamic Data Analysis and Integration System (ADAIS), developed as a highly interactive computer graphics program capable of manipulating large quantities of data such that addressable elements of a data base can be called up for graphic display, compared, curve fit, stored, retrieved, differenced, etc., was described. The general nature of the system is evidenced by the fact that limited usage has already occurred with data bases consisting of thermodynamic, basic loads, and flight dynamics data. Productivity using ADAIS of five times that for conventional manual methods of wind tunnel data analysis is routinely achieved. In wind tunnel data analysis, data from one or more runs of a particular test may be called up and displayed along with data from one or more runs of a different test. Curves may be faired through the data points by any of four methods, including cubic spline and least squares polynomial fit up to seventh order.

  15. Pressure induced polymorphism in ammonium azide (NH{sub 4}N{sub 3})

    Energy Technology Data Exchange (ETDEWEB)

    Medvedev, S.A., E-mail: s.medvedev@mpic.de [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany); Institute fuer Anorganische und Analytische Chemie, Johannes Gutenberg-Universitaet, D-55099 Mainz (Germany); Eremets, M.I. [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany); Evers, J.; Klapoetke, T.M. [Energetic Materials Research, Ludwig-Maximilian University Munich (LMU), Butenandtstrasse 5-13(D), D-81377 Munich (Germany); Palasyuk, T. [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Trojan, I.A. [Max-Planck-Institute for Chemistry, Postfach 3060, D-55020 Mainz (Germany)

    2011-07-28

    Graphical abstract: Polymorph phase transition is observed in NH{sub 4}N{sub 3} at {approx}3 GPa by pressure dependent Raman studies. The strength of hydrogen bond appears to be modified at the phase transition as illustrated by dependence of N-H stretching frequency on pressure shown on figure. Highlights: {yields} Ammonium azide (NH{sub 4}N{sub 3}) studied at high pressures by Raman spectroscopy. {yields} Phase transition is observed at pressure {approx}3 GPa. {yields} Strength of hydrogen bond appears to be modified at the phase transition. {yields} NH{sub 4}N{sub 3} remain in molecular form up to pressures above 50 GPa. - Abstract: Pressure-dependent Raman spectroscopy studies reveal polymorph phase transition in simple molecular ionic crystal NH{sub 4}N{sub 3} at pressure {approx}3 GPa unobserved by recent abinitio evolutionary structure searches. Hydrogen bonding is spectroscopically evident in both low- and high-pressure phases. The strength of hydrogen bond appears to be modified at the phase transition: in the low-pressure phase NH{sub 4}N{sub 3} behaves as system with very strong hydrogen bonding whereas changes of spectra with pressure in the high-pressure phase are indicative of weak or medium-strength hydrogen bonds. The high pressure phase is most likely thermodynamically stable at least up to pressure {approx}55 GPa contradicting the abinitio studies predicting transformation of NH{sub 4}N{sub 3} to nonmolecular hydronitrogen solid at 36 GPa.

  16. Cr-substitution effect on structural, optical and electrical properties of Cr{sub x}Ce{sub 1−x}PO{sub 4} (x = 0.00, 0.08, 0.10 and 0.20) nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Fadhalaoui, Amor [Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia); Dhaouadi, Hassouna, E-mail: dhaouadihassouna@yahoo.fr [Laboratoire Matériaux Traitement et Analyse, INRAP, Technopôle Sidi-Thabet, Tunis 2020 (Tunisia); Marouani, Houda [Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia); Kouki, Abdessalem [L3M, FSB, Zarzouna, Bizerte 7021 (Tunisia); Madani, Adel [Department of Physics, Applied Science College, Umm Al Qura University, Makkah (Saudi Arabia); Rzaigui, Mohamed [Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia)

    2016-01-15

    Graphical abstract: The Cr{sub x}Ce{sub 1−x}PO{sub 4} (x = 0.00, 0.08, 0.10 and 0.20) nanorods synthesized under hydrothermal conditions. - Highlights: • Cr{sub x}Ce{sub 1−x}PO{sub 4} (x = 0.00–0.20) nanorods were synthesized by hydrothermal method. • Mean crystallite size of the products decreases with Cr-content. • Obvious improvements of the electrical conductivity comparatively to CePO4. - Abstract: Cr{sub x}Ce{sub 1−x}PO{sub 4} (x = 0.00–0.20) nanorods were synthesized using the hydrothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), infrared absorption spectroscopy (IR) and transmission electron microscopy (TEM). The XRD results revealed the formation of a pure CePO{sub 4} hexagonal phase. TEM images confirmed the nano-size character of the as-prepared samples. Impedance spectroscopy analysis was used to analyze the electrical behavior of samples as a function of frequency at different temperatures. The increase of Cr-amount led to an increase in the total conductivities and decreased the activation energies (E{sub a} (x = 0.00) = 1.08 eV to E{sub a} (x = 0.20) = 0.80 eV). The optical properties of Cr{sub x}Ce{sub 1−x}PO{sub 4} nanomaterials were investigated using UV–vis spectroscopy. The band-gap energy values decreased with increasing Cr-content showing a red-shift trend. The improvement of the electrical conductivity and optical properties makes the Cr{sub x}Ce{sub 1−x}PO{sub 4} nanomaterials possible candidates to be used as electrolytes in solid oxide fuel cells, in photocatalytic and photovoltaic applications.

  17. Magnetic and luminescent hybrid nanomaterial based on Fe{sub 3}O{sub 4} nanocrystals and GdPO{sub 4}:Eu{sup 3+} nanoneedles

    Energy Technology Data Exchange (ETDEWEB)

    Runowski, Marcin; Grzyb, Tomasz; Lis, Stefan, E-mail: blis@amu.edu.pl [Adam Mickiewicz University, Department of Rare Earths, Faculty of Chemistry (Poland)

    2012-10-15

    A bifunctional hybrid nanomaterial, which can show magnetic and luminescent properties, was obtained. A magnetic phase was synthesized as a core/shell type composite. Nanocrystalline magnetite, Fe{sub 3}O{sub 4} was used as the core and was encapsulated in a silica shell. The luminescent phase was GdPO{sub 4} doped with Eu{sup 3+} ions, as the emitter. The investigated materials were synthesized using a coprecipitation method. Encapsulated Fe{sub 3}O{sub 4} was 'trapped' in a nano-scaffold composed of GdPO{sub 4} crystalline nanoneedles. When an external magnetic field was applied, this hybrid composite was attracted in one direction. Also, the luminescent phase can move simultaneously with magnetite due to a 'trapping' effect. The structure and morphology of the obtained nanocomposites were examined with the use of transmission electron microscopy and X-ray powder diffraction. Spectroscopic properties of the Eu{sup 3+}-doped nanomaterials were studied by measuring their excitation and emission spectra as well as their luminescence decay times.Graphical Abstract.

  18. Controlling morphology and crystallite size of Cu(In{sub 0.7}Ga{sub 0.3})Se{sub 2} nano-crystals synthesized using a heating-up method

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Wei-Hsiang [Department of Resources Engineering, Particulate Materials Research Center, National Cheng Kung University, Tainan, 70101 Taiwan (China); Hsiang, Hsing-I, E-mail: hsingi@mail.ncku.edu.tw [Department of Resources Engineering, Particulate Materials Research Center, National Cheng Kung University, Tainan, 70101 Taiwan (China); Chia, Chih-Ta [Department of Physics, National Taiwan Normal University, Taipei, 116 Taiwan (China); Yen, Fu-Su [Department of Resources Engineering, Particulate Materials Research Center, National Cheng Kung University, Tainan, 70101 Taiwan (China)

    2013-12-15

    CuIn{sub 0.7}Ga{sub 0.3}Se{sub 2}(CIGS) nano-crystals were successfully synthesized via a heating-up process. The non-coordinating solvent (1-octadecene) and selenium/cations ratio effects on the crystalline phase and crystallite size of CIGS nano-crystallites were investigated. It was observed that the CIGS nano-crystallite morphology changed from sheet into spherical shape as the amount of 1-octadecene addition was increased. CIGS nano-crystals were obtained in 9–20 nm sizes as the selenium/cations ratio increased. These results suggest that the monomer reactivity in the solution can be adjusted by changing the solvent type and selenium/cations ratio, hence affecting the crystallite size and distribution. - Graphical abstract: CuIn{sub 0.7}Ga{sub 0.3}Se{sub 2}(CIGS) nano-crystals were successfully synthesized via a heating-up process in this study. The super-saturation in the solution can be adjusted by changing the OLA/ODE ratio and selenium/cation ratio.

  19. Vacancy ordered γ-Fe{sub 2}O{sub 3} nanoparticles functionalized with nanohydroxyapatite: XRD, FTIR, TEM, XPS and Mössbauer studies

    Energy Technology Data Exchange (ETDEWEB)

    Ramos Guivar, Juan A., E-mail: juan.ramos5@unmsm.edu.pe [Faculty of Physical Sciences, National University of San Marcos, P. O. Box 14- 0149, Lima 14 (Peru); Sanches, Edgar A., E-mail: sanches.ufam@gmail.com [Federal University of Amazonas, Department of Physics, Manaus/AM (Brazil); Bruns, Florian, E-mail: f.bruns@tu-braunschweig.de [Institut für Physik der Kondensierten Materie, Technische Universität Braunschweig, 38110 Braunschweig (Germany); Sadrollahi, Elaheh, E-mail: elahe.sadrollahi@gmail.com [Institut für Physik der Kondensierten Materie, Technische Universität Braunschweig, 38110 Braunschweig (Germany); Morales, M.A., E-mail: marco.moralestorres@gmail.com [Department of Theoretical and Experimental Physics, UFRN, Natal, RN 59078- 970 (Brazil); López, Elvis O., E-mail: lopmezel@gmail.com [Brazilian Center for Research in Physics (CBPF), Rio de Janeiro, RJ 22290-180 (Brazil); Litterst, F. Jochen, E-mail: litterst@cbpf.br [Institut für Physik der Kondensierten Materie, Technische Universität Braunschweig, 38110 Braunschweig (Germany); Brazilian Center for Research in Physics (CBPF), Rio de Janeiro, RJ 22290-180 (Brazil)

    2016-12-15

    Graphical abstract: Possible bonding configuration in the γ-Fe{sub 2}O{sub 3} nanoparticles functionalized with nanoHAp. - Highlights: • Coprecipitation in alkaline medium for the synthesis of vacancy ordered γ-Fe{sub 2}O{sub 3}@HAp nanocomposite. • Samples were characterized by XRD, FTIR, XPS, TEM, VSM and Mössbauer spectroscopy. • The functionalization is explained with the binding of two oxygens of chemisorbed H{sub 2}O molecules at the common interface of HAp/C{sub 6}H{sub 8}O{sub 7}/γ-Fe{sub 2}O{sub 3}. - Abstract: Vacancy ordered maghemite (γ-Fe{sub 2}O{sub 3}) nanoparticles functionalized with nanohydroxyapatite (HAp – Ca{sub 10}(PO{sub 4}) {sub 6}(OH){sub 2}) have been successfully synthesized using an inexpensive co-precipitation chemical route. Evidence for the presence of vacancy order in maghemite was shown by the superstructure lines observed in X-ray diffraction. The adsorption of carboxyl groups of citric acid (C{sub 6}H{sub 8}O{sub 7}) onto γ-Fe{sub 2}O{sub 3} nanoparticles was investigated by FTIR, XPS and Mössbauer spectroscopy. From XPS surface analysis, two binding energies related to oxygen were attributed to bindings between C{sub 6}H{sub 8}O{sub 7}/γ- Fe{sub 2}O{sub 3} and C{sub 6}H{sub 8}O{sub 7}/HAp from an interfacial reaction promoted by strongly adsorbed H{sub 2}O molecules at the surface of these nanomaterials. Le Bail refinement of the XRD patterns showed the formation of well-crystallized pure tetragonal maghemite before and after functionalization with nanoHAp. The temperature dependence of hyperfine parameters of pure and functionalized γ-Fe{sub 2}O{sub 3} nanoparticles was investigated via Mössbauer spectroscopy. TEM revealed the formation of quasi-spherical γ- Fe{sub 2}O{sub 3} nanoparticles with an average diameter of ca. 12 nm and 16 nm before and after functionalization with nanoHAp in agreement with Le Bail refinement. Magnetometry measurements showed a saturation magnetization of 12 emu/g and a blocking

  20. Differences in primary health care use among sub-Saharan African immigrants in Norway: a register-based study.

    Science.gov (United States)

    Diaz, Esperanza; Mbanya, Vivian N; Gele, Abdi A; Kumar, Bernadette

    2017-07-28

    Immigrants' utilization of primary health care (PHC) services differs from that of the host populations. However, immigrants are often classified in broad groups by continent of origin, and the heterogeneity within the same continent may hide variation in use among immigrant groups at a national level. Differences in utilization of PHC between sub-Saharan African immigrants have not received much attention. Registry-based study using merged data from the National Population Register and the Norwegian Health Economics Administration. African immigrants and their descendants registered in Norway in 2008 (36,366 persons) where included in this study. Using χ 2 test and logistic regression models, we assessed the differences in the use of PHC, including general practitioner (GP) and emergency room (ER) services, and the distribution of morbidity burden for immigrants from Somalia, Ethiopia, Eritrea, and Gambia. For the analyses, we used the number of visits and medical diagnoses from each consultation registered by the physician. Among the total studied population, 66.1% visited PHC within 1 year. The diagnoses registered were similar for all four immigrants groups, regardless of country of origin. Compared to immigrants from Somalia, the age and sex adjusted odds ratios (OR) for use of GP were significantly lower for Ethiopians (OR 0.91; 0.86-0.97), Eritreans (OR 0.85; 0.79-0.91), and Gambians (OR 0.88; 0.80-0.97). Similarly, we also observed lower use of ER among Ethiopians (OR 0.88; 0.81-0.95), Eritreans (OR 0.56; 0.51-0.62) and Gambians (OR 0.81; 0.71-0.92). However, immigrants from Somalia reduced their use of PHC with longer duration of stay in Norway. Differences between groups persisted after further adjustment for employment status. Despite the similarities in diagnoses among the sub-Saharan African immigrant groups in Norway, their use of PHC services differs by country of origin and length of stay. It is important to assess the reasons for the differences