WorldWideScience

Sample records for sub-5 nm spacing

  1. Ion transport in sub-5-nm graphene nanopores

    International Nuclear Information System (INIS)

    Suk, Myung E.; Aluru, N. R.

    2014-01-01

    Graphene nanopore is a promising device for single molecule sensing, including DNA bases, as its single atom thickness provides high spatial resolution. To attain high sensitivity, the size of the molecule should be comparable to the pore diameter. However, when the pore diameter approaches the size of the molecule, ion properties and dynamics may deviate from the bulk values and continuum analysis may not be accurate. In this paper, we investigate the static and dynamic properties of ions with and without an external voltage drop in sub-5-nm graphene nanopores using molecular dynamics simulations. Ion concentration in graphene nanopores sharply drops from the bulk concentration when the pore radius is smaller than 0.9 nm. Ion mobility in the pore is also smaller than bulk ion mobility due to the layered liquid structure in the pore-axial direction. Our results show that a continuum analysis can be appropriate when the pore radius is larger than 0.9 nm if pore conductivity is properly defined. Since many applications of graphene nanopores, such as DNA and protein sensing, involve ion transport, the results presented here will be useful not only in understanding the behavior of ion transport but also in designing bio-molecular sensors

  2. Highly Sensitive Bulk Silicon Chemical Sensors with Sub-5 nm Thin Charge Inversion Layers.

    Science.gov (United States)

    Fahad, Hossain M; Gupta, Niharika; Han, Rui; Desai, Sujay B; Javey, Ali

    2018-03-27

    There is an increasing demand for mass-producible, low-power gas sensors in a wide variety of industrial and consumer applications. Here, we report chemical-sensitive field-effect-transistors (CS-FETs) based on bulk silicon wafers, wherein an electrostatically confined sub-5 nm thin charge inversion layer is modulated by chemical exposure to achieve a high-sensitivity gas-sensing platform. Using hydrogen sensing as a "litmus" test, we demonstrate large sensor responses (>1000%) to 0.5% H 2 gas, with fast response (<60 s) and recovery times (<120 s) at room temperature and low power (<50 μW). On the basis of these performance metrics as well as standardized benchmarking, we show that bulk silicon CS-FETs offer similar or better sensing performance compared to emerging nanostructures semiconductors while providing a highly scalable and manufacturable platform.

  3. Sub-5nm, globally aligned graphene nanoribbons on Ge(001)

    Energy Technology Data Exchange (ETDEWEB)

    Kiraly, Brian; Mannix, Andrew J. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439 (United States); Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208 (United States); Jacobberger, Robert M.; Arnold, Michael S. [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Fisher, Brandon L.; Guisinger, Nathan P., E-mail: nguisinger@anl.gov, E-mail: m-hersam@northwestern.edu [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439 (United States); Hersam, Mark C., E-mail: nguisinger@anl.gov, E-mail: m-hersam@northwestern.edu [Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208 (United States); Department of Chemistry, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208 (United States)

    2016-05-23

    Graphene nanoribbons (GNRs) hold great promise for future electronics because of their edge and width dependent electronic bandgaps and exceptional transport properties. While significant progress toward GNR devices has been made, the field has been limited by difficulties achieving narrow widths, global alignment, and atomically pristine GNR edges on technologically relevant substrates. A recent advance has challenged these limits by using Ge(001) substrates to direct the bottom-up growth of GNRs with nearly pristine armchair edges and widths near ∼10 nm via atmospheric pressure chemical vapor deposition. In this work, the growth of GNRs on Ge(001) is extended to ultra-high vacuum conditions, resulting in the realization of GNRs with widths narrower than 5 nm. Armchair graphene nanoribbons oriented along Ge 〈110〉 surface directions are achieved with excellent width control and relatively large bandgaps. The bandgap magnitude and electronic uniformity of these sub-5nm GNRs are well-suited for emerging nanoelectronic applications.

  4. Mechanochemically synthesized sub-5 nm sized CuS quantum dots with high visible-light-driven photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shun; Ge, Zhen-Hua [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Bo-Ping, E-mail: bpzhang@ustb.edu.cn [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Yao, Yao [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Wang, Huan-Chun [School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China); Yang, Jing; Li, Yan; Gao, Chao [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Lin, Yuan-Hua [School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China)

    2016-10-30

    Highlights: • CuS quantum dots (<5 nm) were synthesized by mechanochemical ball milling. • Defects was observed in the CuS quantum dots. • They show good visible light photocatalytic activity as Fenton-like reagents. - Abstract: We report a simple mechanochemical ball milling method for synthesizing monodisperse CuS quantum dots (QDs) with sizes as small as sub-5 nm. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and UV–vis spectroscopy. The CuS QDs exhibited excellent visible-light-driven photocatalytic activity and stability for degradation of Rodanmine B aqueous solution as Fenton-like reagents. Our study opens the opportunity to low-cost and facile synthesis of QDs in large scale for future industrial applications.

  5. Enhanced dielectric properties of thin Ta{sub 2}O{sub 5} films grown on 65 nm SiO{sub 2}/Si

    Energy Technology Data Exchange (ETDEWEB)

    Kolkovsky, Vl.; Kurth, E.; Kunath, C. [IPMS Fraunhofer, Dresden, Maria-Reiche Str. 2, 01109 Dresden (Germany)

    2016-12-15

    The structural and electrical properties of Ta{sub 2}O{sub 5}/65 nm SiO{sub 2} structures with different thicknesses of Ta{sub 2}O{sub 5} varying in the range of 0-260 nm are investigated. We find that the stack structures grown by the magnetron sputtering technique and annealed at 1220 K in O and Ar atmosphere show one of the highest dielectric constant of Ta{sub 2}O{sub 5}(about 64) among those previously reported in the literature. The structure of the annealed polycrystalline Ta{sub 2}O{sub 5} films is orthorhombic, as obtained from X-ray diffraction measurements and we do not observe any preferential orientation of the annealed films. The Ta{sub 2}O{sub 5} films contain positively charged defects which become mobile at around 400 K and they are tentatively correlated with the oxygen vacancies. The leakage current in the stack structures is a factor of 20 higher compared to that in thin layers with 65 nm SiO{sub 2}. The conduction mechanism in the stack structures can be described by the Fowler-Nordheim model with a barrier height that decreases slightly (<10%) as a function of the thickness of the films. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Automated sub-5nm image registration in integrated correlative fluorescence and electron microscopy using cathodoluminescence pointers

    Science.gov (United States)

    Haring, Martijn T.; Liv, Nalan; Zonnevylle, A. Christiaan; Narvaez, Angela C.; Voortman, Lenard M.; Kruit, Pieter; Hoogenboom, Jacob P.

    2017-03-01

    In the biological sciences, data from fluorescence and electron microscopy is correlated to allow fluorescence biomolecule identification within the cellular ultrastructure and/or ultrastructural analysis following live-cell imaging. High-accuracy (sub-100 nm) image overlay requires the addition of fiducial markers, which makes overlay accuracy dependent on the number of fiducials present in the region of interest. Here, we report an automated method for light-electron image overlay at high accuracy, i.e. below 5 nm. Our method relies on direct visualization of the electron beam position in the fluorescence detection channel using cathodoluminescence pointers. We show that image overlay using cathodoluminescence pointers corrects for image distortions, is independent of user interpretation, and does not require fiducials, allowing image correlation with molecular precision anywhere on a sample.

  7. Photodissociation of C{sub 3}H{sub 5}Br and C{sub 4}H{sub 7}Br at 234 nm

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu [Pusan National University, Busan (Korea, Republic of); Lee, Kyoung Seok [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

    2012-01-15

    The photodissociation dynamics of cyclopropyl bromide (C-3H{sub 5}Br) and cyclobutyl bromide (C{sub 4}H{sub 7}Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br({sup 2}P{sub 3/2}) and Br*({sup 2}P{sub 1/2}) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C{sub 3}H{sub 5}Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C{sub 4}H{sub 7}Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C{sub 3}H{sub 5}Br and C{sub 4}H{sub 7}Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed.

  8. TS-1 supported highly dispersed sub-5 nm gold nanoparticles toward direct propylene epoxidation using H2 and O2

    Science.gov (United States)

    Li, Naixu; Chen, Yong; Shen, Quanhao; Yang, Bin; Liu, Ming; Wei, Lingfei; Tian, Wei; Zhou, Jiancheng

    2018-05-01

    We report a simple and efficient method for the preparation of highly dispersed Au nanoparticles (< 5 nm) on TS-1 substrate. The synthesis relies on the use of NaBH4 as a reductant for rapid Au atom generation, as well as PVA as a capping agent confining the particle size and dispersion. The samples were characterized by N2 physisorption, inductively coupled plasma mass spectrometry, power X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, CO pulse chemisorption and thermogravimetric analysis. The size of Au particles can be controlled in the range of 3-5 nm. The supported catalyst shows both good activity and selectivity for propylene oxide (PO) generation from direct propylene epoxidation. An optimal performance with PO formation rate of 102.94 gPO h-1 kg-1cat and selectivity of 84.83% is achieved over 2.0 wt% Au/TS-1 catalyst, which is prepared by controlling PVA/Au3+ mass ratio of 1.5/1 and NaBH4/Au3+ mole ratio of 5/1. After 50 h test at 200 °C, no significant decrement of both catalytic activity and PO selectivity can be observed, indicating the excellent thermally stability of the catalyst. Furthermore, a possible reaction mechanism is described on basis of the previous researches and our experimental results.

  9. Holographic recording and characterization of photorefractive Bi{sub 2}TeO{sub 5} crystals at 633 nm wavelength light

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Ivan de, E-mail: ivan@ft.unicamp.br [Grupo de Óptica e Modelagem Numérica (GOMNI)-Faculdade de Tecnologia/UNICAMP, Limeira-SP (Brazil); Carvalho, Jesiel F., E-mail: carvalho@if.ufg.br; Fabris, Zanine V. [Instituto de Física/Universidade Federal de Goiás, Goiânia-GO (Brazil); Frejlich, Jaime, E-mail: frejlich@ifi.unicamp.br [Instituto de Física “Gleb Wataghin”/UNICAMP, Campinas-SP (Brazil)

    2014-04-28

    We report on the holographic recording on photorefractive Bi{sub 2}TeO{sub 5} crystals using λ=633 nm wavelength light. We studied the behavior of this material under the action of this low photonic energy light and found out the presence of a fast and a slow hologram, both of photorefractive nature and exhibiting rather high diffraction efficiencies. The faster and the slower holograms are based on the excitation and diffusion of oppositely charged carriers (likely electrons and holes). Relevant parameters for the photoactive centers responsible for both kind of holograms were characterized using purely holographic techniques. No evidences of non-photosensitive ionic charge carriers being involved in the recording process at room temperature nor self-fixing effects were found.

  10. Synthesis of sub-5 nm Co-doped SnO{sub 2} nanoparticles and their structural, microstructural, optical and photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Entradas, T.; Cabrita, J.F. [Department of Chemistry and Biochemistry and CQB, Faculty of Sciences, University of Lisbon, Campo Grande, 1749-016 Lisboa (Portugal); Dalui, S. [Department of Physics and ICEMS, Faculty of Sciences, University of Lisbon, Campo Grande, 1749-016 Lisboa (Portugal); Nunes, M.R. [Department of Chemistry and Biochemistry and CQB, Faculty of Sciences, University of Lisbon, Campo Grande, 1749-016 Lisboa (Portugal); Monteiro, O.C., E-mail: ocmonteiro@fc.ul.pt [Department of Chemistry and Biochemistry and CQB, Faculty of Sciences, University of Lisbon, Campo Grande, 1749-016 Lisboa (Portugal); Silvestre, A.J., E-mail: asilvestre@deq.isel.ipl.pt [Department of Physics and ICEMS, Instituto Superior de Engenharia de Lisboa – ISEL, R. Conselheiro Emídio Navarro 1, 1959-007 Lisboa (Portugal)

    2014-10-15

    A swift chemical route to synthesize Co-doped SnO{sub 2} nanopowders is described. Pure and highly stable Sn{sub 1−x}Co{sub x}O{sub 2−δ} (0 ≤ x ≤ 0.15) crystalline nanoparticles were synthesized, with mean grain sizes <5 nm and the dopant element homogeneously distributed in the SnO{sub 2} matrix. The UV–visible diffuse reflectance spectra of the Sn{sub 1−x}Co{sub x}O{sub 2−δ} samples reveal red shifts, the optical bandgap energies decreasing with increasing Co concentration. The samples' Urbach energies were calculated and correlated with their bandgap energies. The photocatalytic activity of the Sn{sub 1−x}Co{sub x}O{sub 2−δ} samples was investigated for the 4-hydroxylbenzoic acid (4-HBA) degradation process. A complete photodegradation of a 10 ppm 4-HBA solution was achieved using 0.02% (w/w) of Sn{sub 0.95}Co{sub 0.05}O{sub 2−δ} nanoparticles in 60 min of irradiation. - Highlights: • Synthesis of homogeneous sub-5 nm Sn{sub 1−x}Co{sub x}O{sub 2−δ} (0 ≤ x ≤ 0.15) nanoparticles. • Samples' optical bandgap energies decrease with increasing Co concentration. • Samples' Urbach energies are calculated and correlated with their bandgap energies. • Sn{sub 1−x}Co{sub x}O{sub 2−δ} powders are photocatalysts for 4-hydroxylbenzoic acid degradation. • The best 4-HBA photocatalyst is the sample with composition Sn{sub 0.95}Co{sub 0.05}O{sub 2−δ}.

  11. Photodissociation of van der Waals clusters of isoprene with oxygen, C{sub 5}H{sub 8}-O{sub 2}, in the wavelength range 213-277 nm

    Energy Technology Data Exchange (ETDEWEB)

    Vidma, Konstantin V.; Frederix, Pim W. J. M.; Parker, David H. [Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6525 ED Nijmegen (Netherlands); Baklanov, Alexey V. [Institute of Chemical Kinetics and Combustion, Institutskaja Street 3, Novosibirsk 630090 (Russian Federation) and Novosibirsk State University, Pirogova street 2, Novosibirsk 630090 (Russian Federation)

    2012-08-07

    The speed and angular distribution of O atoms arising from the photofragmentation of C{sub 5}H{sub 8}-O{sub 2}, the isoprene-oxygen van der Waals complex, in the wavelength region of 213-277 nm has been studied with the use of a two-color dissociation-probe method and the velocity map imaging technique. Dramatic enhancement in the O atoms photo-generation cross section in comparison with the photodissociation of individual O{sub 2} molecules has been observed. Velocity map images of these 'enhanced' O atoms consisted of five channels, different in their kinetic energy, angular distribution, and wavelength dependence. Three channels are deduced to be due to the one-quantum excitation of the C{sub 5}H{sub 8}-O{sub 2} complex into the perturbed Herzberg III state ({sup 3}{Delta}{sub u}) of O{sub 2}. This excitation results in the prompt dissociation of the complex giving rise to products C{sub 5}H{sub 8}+O+O when the energy of exciting quantum is higher than the complex photodissociation threshold, which is found to be 41740 {+-} 200 cm{sup -1} (239.6{+-}1.2 nm). This last threshold corresponds to the photodissociation giving rise to an unexcited isoprene molecule. The second channel, with threshold shifted to the blue by 1480 {+-} 280 cm{sup -1}, corresponds to dissociation with formation of rovibrationally excited isoprene. A third channel was observed at wavelengths up to 243 nm with excitation below the upper photodissociation threshold. This channel is attributed to dissociation with the formation of a bound O atom C{sub 5}H{sub 8}-O{sub 2}+hv{yields} C{sub 5}H{sub 8}-O{sub 2}({sup 3}{Delta}{sub u}) {yields} C{sub 5}H{sub 8}O + O and/or to dissociation of O{sub 2} with borrowing of the lacking energy from incompletely cooled complex internal degrees of freedom C{sub 5}H{sub 8}{sup *}-O{sub 2}+hv{yields} C{sub 5}H{sub 8}{sup *}-O{sub 2}({sup 3}{Delta}{sub u}) {yields} C{sub 5}H{sub 8}+ O + O. The kinetic energy of the O atoms arising in two other

  12. Analysis of laser energy deposition leading to damage and ablation of HfO{sub 2} and Nb{sub 2}O{sub 5} single layers submitted to 500 fs pulses at 1030 and 343 nm

    Energy Technology Data Exchange (ETDEWEB)

    Douti, Dam-Be; Begou, Thomas; Lemarchand, Fabien; Lumeau, Julien; Commandre, Mireille; Gallais, Laurent [Aix-Marseille Universite, CNRS, Centrale Marseille, Institut Fresnel UMR 7249, Marseille (France)

    2016-07-15

    Laser- induced damage thresholds and morphologies of laser ablated sites on dielectric thin films are studied based on experiments and simulations. The films are single layers of hafnia and niobia deposited on fused silica substrates with a magnetron sputtering technique. Laser experiments are conducted with 500 fs pulses at 1030 and 343 nm, and the irradiated sites are characterized with optical profilometry and scanning electron microscopy. The results, i.e., LIDT and damage morphologies, are compared to simulations of energy deposition in the films based on the single rate equation for electron excitation, taking into account transient optical properties of the films during the pulse. The results suggest that a critical absorbed energy as a damage criterion gives consistent results both with the measured LIDT and the observed damage morphologies at fluences close to the damage threshold. Based on the numerical and experimental results, the determined LIDT evolution with the wavelength is described as nearly constant in the near-infrared region, and as rapidly decreasing with laser wavelength in the visible and near-ultraviolet regions. (orig.)

  13. Electric conductivity of PCl{sub 5}-ZrCl{sub 4}, PCl{sub 5}-TaCl{sub 5}, and PCl{sub 5}-MoCl{sub 5} molten mixtures; Ehlektroprovodnost` rasplavlennykh sistem PCl{sub 5}-ZrCl{sub 4}, PCl{sub 5}-TaCl{sub 5}, i PCl{sub 5}-MoCl{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Salyulev, A B; Red` kin, A A; Moskalenko, N I [Inst. Vysokotemperaturnoj Ehlektrokhimii UrO RAN, Ekaterinburg (Russian Federation)

    1997-05-01

    When mixing individual molecular melts of PCl{sub 5} with ZrCl{sub 4}, TaCl{sub 5} or with MoCl{sub 5}, an essential (by several orders) increase in electric conductivity (up to 0.02-0.1 Ohm{sup -1}{center_dot}cm{sup -1}), which stems, in all probability, from the appearance of complex ions PCl{sub 4}{sup +}, ZrCl{sub 5}{sup -}, ZrCl{sub 6}{sup 2-}, TaCl{sub 5}{sup -} and MoCl{sub 6}{sup -} in the molten mixtures as a result of chemical interaction. 12 refs., 3 figs., 1 tab.

  14. Role of Academician N.M. Sissakian in space biomedicine formation

    International Nuclear Information System (INIS)

    Gazenko, O.G.; Gyurdzhian, A.A.

    1997-01-01

    Role of Academician N.M. Sissakian in space biomedicine formation is discussed dedicated to the 90th anniversary from his birthday. It is shown that Sissakian layers the foundation of new branch of science - space biomedicine. He participated in the programs of preparing man to space flight, paid attention to the problems of exobiology, gravitation, ontogenesis in mammals under weightlessness conditions, radiation safety in space flight, life support under space flight conditions, social-psychological activities of astronauts. Academician introduced the achievements of cosmic investigations into earth science practice, paid great attention to the international cooperation

  15. Exploration of BEOL line-space patterning options at 12 nm half-pitch and below

    Science.gov (United States)

    Decoster, S.; Lazzarino, F.; Petersen Barbosa Lima, L.; Li, W.; Versluijs, J.; Halder, S.; Mallik, A.; Murdoch, G.

    2018-03-01

    While the semiconductor industry is almost ready for high-volume manufacturing of the 7 nm technology node, research centers are defining and troubleshooting the patterning options for the 5 nm technology node (N5) and below. The target dimension for imec's N5 BEOL applications is 20-24 nm Metal Pitch (MP), which requires Self-Aligned multiple (Double/Quadruple/Octuple) Patterning approaches (SAxP) in combination with EUV or immersion lithography at 193 nm. There are numerous technical challenges to enable gratings at the hard mask level such as good uniformity across wafer, low line edge/width roughness (LER/LWR), large process window, and all of this at low cost. An even greater challenge is to transfer these gratings into the dielectric material at such critical dimensions, where increased line edge roughness, line wiggling and even pattern collapse can be expected for materials with small mechanical stability such as highly porous low-k dielectrics. In this work we first compare three different patterning options for 12 nm half-pitch gratings at the hard mask level: EUV-based SADP and 193i-based SAQP and SAOP. This comparison will be based on process window, line edge/width roughness and cost. Next, the transfer of 12 nm line/space gratings in the dielectric material is discussed and presented. The LER of the dielectric lines is investigated as a function of the dielectric material, the trench depth, and the stress in the sacrificial hard mask. Finally, we elaborate on the different options to enable scaling down from 24 nm MP to 16 nm MP, and demonstrate 8 nm line/space gratings with 193i-based SAOP.

  16. Antiferromagnetic ordering in GdRhIn{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Latka, K.; Rams, M. [Marian Smoluchowski Inst. of Physics, Jagiellonian Univ., Krakow (Poland); Kmiec, R.; Pacyna, A.W. [Henryk Niewodniczanski Inst. of Nuclear Physics, Polish Academy of Sciences, Krakow (Poland); Zaremba, V.I. [Inorganic Chemistry Dept., Ivan Franko National Univ. of Lviv, Lviv (Ukraine); Inst. fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Univ. Muenster (Germany); Poettgen, R. [Inst. fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Univ. Muenster (Germany)

    2004-09-01

    A polycrystalline sample of tetragonal GdRhIn{sub 5} (HoCoGa{sub 5} type, space group P4/mmm) was obtained by induction melting of the elements in a glassy carbon crucible in a water-cooled sample chamber and subsequent annealing at 670 K. X-ray powder data yielded the cell parameters a = 460.65(7), c = 743.52(12) pm. The magnetic and electronic properties of GdRhIn{sub 5} have been studied by magnetic susceptibility, electrical resistivity, and {sup 155}Gd Moessbauer spectroscopic measurements. Antiferromagnetic ordering is detected at 41.0(2) K. The results are discussed using a simple molecular field approximation. (orig.)

  17. Elaboration and characterization of unreported (Pr,Nd){sub 5}Ni{sub 19} hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Lemort, Lucille [ICMPE CMTR CNRS UMR 7182, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Latroche, Michel, E-mail: michel.latroche@icmpe.cnrs.fr [ICMPE CMTR CNRS UMR 7182, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Knosp, Bernard; Bernard, Patrick [SAFT, Direction de la Recherche, 111-113 Boulevard Alfred Daney, 33074 Bordeaux (France)

    2011-09-15

    Research highlights: > Two new compounds Pr{sub 5}Ni{sub 19} and Nd{sub 5}Ni{sub 19} have been synthesized and their crystallographic structures have been determined. > Two polymorphic types are reported to coexist for the same composition, one rhombohedral and one hexagonal. > The hydrogen sorption properties of these two novel compounds have been measured and they exhibit capacities of 1.33%(wt) for Pr{sub 5}Ni{sub 19} and 1.17%(wt) for Nd{sub 5}Ni{sub 19} under 10 MPa. - Abstract: In this study two new compounds have been synthesized: Pr{sub 5}Ni{sub 19} and Nd{sub 5}Ni{sub 19}. The crystallographic structures as well as the thermodynamic properties of the hydrogen absorbing compounds Pr{sub 5}Ni{sub 19} and Nd{sub 5}Ni{sub 19} have been determined. Both compounds exist under two polymorphic types that can be described as the stacking along the c axis of two different subunits [(Pr,Nd){sub 2}Ni{sub 4}] and [(Pr,Nd)Ni{sub 5}]: the hexagonal (2H) Pr{sub 5}Co{sub 19}-type structure (space group P6{sub 3}/mmc) and the rhombohedral (3R) Ce{sub 5}Co{sub 19}-type structure (space group R-3m). The two compounds are able to form hydrides at room temperature, in the pressure range of 0-10 MPa. They show desorption pressure plateaux around 0.8 MPa for Pr{sub 5}Ni{sub 19} and 1 MPa for Nd{sub 5}Ni{sub 19} and exhibit capacities under 10 MPa of 1.33 wt% for Pr{sub 5}Ni{sub 19} and 1.17 wt% for Nd{sub 5}Ni{sub 19} at the first cycle.

  18. Theoretical study of structures of Ga{sub 5}N{sub 5} cluster

    Energy Technology Data Exchange (ETDEWEB)

    Song Bin; Cao Peilin

    2002-12-23

    The structures and energies of a Ga{sub 5}N{sub 5} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga{sub 5}N{sub 5} cluster have been obtained. The most stable structure is a C{sub 1} planar structure with a N{sub 3} subunit. The Ga{sub 5}N{sub 5} clusters show a preference for a N{sub 3} subunit, revealing the same behavior as in the Ga{sub 3}N{sub 3} and Ga{sub 4}N{sub 4} clusters. The existence of strong N-N bonds dominates the structure of a Ga{sub 5}N{sub 5} cluster. Through the calculation of the density of states we found that the most stable structure of Ga{sub 5}N{sub 5} clusters presented semiconductor-like properties.

  19. Free-Space Optical Communications Link at 1550-nm using Multiple-Quantum-Well Modulating Retroreflectors in a Marine Environment

    National Research Council Canada - National Science Library

    Rabinovich, W. S; Mahon, R; Burris, H. R; Gilbreath, G. C; Goetz, P. G; Moore, C. I; Stell, M. F; Vilcheck, M. J; Witkowsky, J. L; Swingen, L

    2005-01-01

    A 1550-nm eye-safe, free-space optical communications link is demonstrated at rates up to 5 Mbits/s over a distance of 2 km in the Chesapeake Bay, using quantum-well-based modulating retroreflectors...

  20. Self-Assembly of Narrowly Dispersed Brush Diblock Copolymers with Domain Spacing more than 100 nm

    Science.gov (United States)

    Gu, Weiyin; Sveinbjornsson, Benjamin; Hong, Sung Woo; Grubbs, Robert; Russell, Thomas

    2012-02-01

    Self-assembled structures of high molecular weight (MW), narrow molecular weight distribution brush block copolymers containing polylactic acid (PLA) and polystyrene (PS) side chains with similar MWs were studied in both the melt and thin films. The polynorbornene-backbone-based brush diblock copolymers containing approximately equal volume fractions of each block self-assembled into highly ordered lamellae with domain spacing over 100 nm, as revealed by SAXS, GISAXS and AFM. The domain size increased approximately linearly with backbone length, which indicated an extended conformation of the backbone in the ordered state. The length of side chains also played a significant role in terms of controlling the domain size. As the degree of polymerization (DP) increased, the symmetric brush diblock copolymers with longer side chains tended to form larger lamellar microdomains in comparison to those that have the same DP but shorter side chains.

  1. 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.

  2. Twistor methods for AdS{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Adamo, Tim; Skinner, David; Williams, Jack [Department of Applied Mathematics & Theoretical Physics, University of Cambridge,Wilberforce Road, Cambridge, CB3 0WA United Kingdom (United Kingdom)

    2016-08-30

    We consider the application of twistor theory to five-dimensional anti-de Sitter space. The twistor space of AdS{sub 5} is the same as the ambitwistor space of the four-dimensional conformal boundary; the geometry of this correspondence is reviewed for both the bulk and boundary. A Penrose transform allows us to describe free bulk fields, with or without mass, in terms of data on twistor space. Explicit representatives for the bulk-to-boundary propagators of scalars and spinors are constructed, along with twistor action functionals for the free theories. Evaluating these twistor actions on bulk-to-boundary propagators is shown to produce the correct two-point functions.

  3. Structural and photoluminescence investigations of Sm{sup 3+} doped BaY{sub 2}ZnO{sub 5} nanophosphors

    Energy Technology Data Exchange (ETDEWEB)

    Chahar, Sangeeta; Taxak, V.B.; Dalal, Mandeep; Singh, Sonika; Khatkar, S.P., E-mail: s_khatkar@rediffmail.com

    2016-05-15

    Highlights: • BaY{sub 2(1−x)}Sm{sub 2x}ZnO{sub 5} nanophosphors have been synthesized via solution combustion. • The nanophosphors have been characterized by XRD, TEM and PL spectroscopy. • The crystal structure reveals influence of doping on lattice parameters. • This nanophosphor executes orange–red emission under near UV excitation. - Abstract: BaY{sub 2}ZnO{sub 5}:Sm{sup 3+} nanophosphor was successfully synthesized using solution combustion process. XRD and photoluminescence (PL) techniques were used to analyze the structural and photoluminescence properties. Morphological study of the thermally stable powder was carried out using transmission electron microscope (TEM). Rietveld refinement technique has been used to analyze the samples qualitatively as well as quantitatively. X-Ray diffraction analysis confirms that the highly crystalline single phased Sm{sup 3+} doped BaY{sub 2}ZnO{sub 5} nanophosphor crystallizes in orthorhombic lattice with Pbnm space group. The average particle size lies in the range 80–90 nm with spherical morphology. The photoluminescence excitation at 411 nm yields an intense orange–red emission centered at 610 nm due to {sup 4}G{sub 5/2}–{sup 6}H{sub 7/2} transition. The concentration dependent luminescent behavior of BaY{sub 2(1−x)}Sm{sub 2x}ZnO{sub 5} nanophosphor shows that the optimum concentration for best luminescence is 3 mol%. These results indicate that these nanophosphors find potential applications in the field of phosphor-converted white LED systems.

  4. 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.

  5. 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.

  6. Solubility of hydrogen in LaNi{sub 5}-, LaCo{sub 5}- und LaNi{sub 5-x}Co{sub x}-alloys; Die Wasserstoff-Loeslichkeit in LaNi{sub 5}-, LaCo{sub 5}- und LaNi{sub 5-x}Co{sub x}-Legierungen

    Energy Technology Data Exchange (ETDEWEB)

    Schlotfeld, K.

    2004-07-01

    Hydrogen absorption isotherms of the alloys LaNi{sub 5}, LaNi{sub 4}Co, LaNi{sub 3}Co{sub 2} and LaCo{sub 5} were measured with an electronic microbalance between 313 and 533 K and between 0.01 and 120 bar. The unit cells of the binary alloys LaNi{sub 5} and LaCo{sub 5} contain a large number of interstitial sites of various kinds, which have to be considered for the occupation with hydrogen. Initially, the larger sites, which require the lowest energy, are filled. At rising concentrations the smaller sites associated with higher energy are successively entered. However, even at the highest hydrogen pressures of 1000 bar applied so far, most interstitial sites remain empty, due to an empirical rule which is theoretically well understood, that the dissolved hydrogen atoms cannot approach each other closer than the minimal distance of 0.21 nm. These conditions lead to a maximal hydrogen/metal ratio of 1.5 at 1000 bar and of roughly 1.2 at 150 bar. A statistical description of the two binary alloys has already been presented by Brodowsky, Yasuda, and Itagaki, which includes the energy differences of hydrogen in the various classes of sites. For the interpretation of the miscibility gaps below a critical temperature the influence of the volume expansion of the dissolved hydrogen on the excess functions was taken into account, similarly the shift of the Fermi energy of the system. In the ternary alloys, there is the complication that the energy of the sites is not is not equal within each group but that the levels have a distribution according to the number of Ni or Co atoms, respectively, around a particular interstitial site. Although this splitting up of the energy levels could not be treated quantitatively, it was very evident in the juxtaposition of the absorption isotherms of the various alloys. The measurements have shown, that the plateau pressure, which is important for the practical application of these alloys, is lowered in steps in the transition from LaNi{sub

  7. Effect of aging of V{sub 2}O{sub 5} sol on properties of nanoscale films

    Energy Technology Data Exchange (ETDEWEB)

    Senapati, Sujata [Materials Science Programme, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Samtel Centre for Display Technologies, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Panda, Siddhartha, E-mail: spanda@iitk.ac.in [Materials Science Programme, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Samtel Centre for Display Technologies, Indian Institute of Technology Kanpur, Kanpur 208016 (India)

    2016-01-29

    Nanoscale films having thicknesses in the range of 92 nm–137 nm were obtained by spin coating V{sub 2}O{sub 5} sol at different stages of aging. The observed structural and morphological changes with time can be attributed to the reactions occurring in the sol. The film morphology changed from an indistinctive featureless film to a homogenous film having ribbon-like nanostructures with aging of sols. TGA and FTIR analysis confirmed loss in the amount of intercalated water content with aging giving rise to structural changes (decrease in interlayer spacing) which were observed using XRD. Variations in mechanical, electrical, and optical properties of the thin films were observed with aging of the sol. Strain in the films were found to decrease with aging. The electrical conductivity increased with aging and this can be correlated to the improved crystallinity of the films with aging. The optical bandgap (calculated from UV–Vis data) decreased and the transmittance increased with aging. - Highlights: • Nanoscale V{sub 2}O{sub 5} films synthesized by spin coating progressively aged sol. • Structural and morphological changes were observed in the films. • Loss of water of hydration resulted in decrease in interlayer spacing. • Strain in the film decreased and conductivity increased with aging. • Increase in transmittance and decrease in optical band gap with aging observed.

  8. Antiferromagnetic CsCrF{sub 5} and canted antiferromagnetism in RbCrF{sub 5} and KCrF{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Jagličić, Zvonko, E-mail: zvonko.jaglicic@imfm.si [University of Ljubljana, Faculty of Civil and Geodetic Engineering, and Institute of Mathematics, Physics and Mechanics, Jadranska 19, 1000 Ljubljana (Slovenia); Mazej, Zoran, E-mail: zoran.mazej@ijs.si [Department of Inorganic Chemistry and Technology, Jožef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

    2017-07-15

    Highlights: • Cr(IV) ions are antiferromagnetically coupled within chains in ACrF{sub 5} (A = Cs, Rb, K). • Small structural difference causes huge difference in magnetic properties below 10 K. • Canted antiferromagnetism has been observed in RbCrF{sub 5} and KCrF{sub 5} at low temperature. - Abstract: In ACrF{sub 5} (A = Cs, Rb, K), Cr(IV) ions are coordinated by six fluoride ligands where the resulting CrF{sub 6} octahedra share cis vertexes to form infinite chains of ([Cr{sup IV}F{sub 5}]{sup −}){sub n}. The geometry of the latter in Cs compound differs from that in K and Rb compounds. The results of investigations of the magnetic behaviour of these compounds have shown that an antiferromagnetic superexchange interaction is present within the chains with J{sub Cs} = −10.2 cm{sup −1}, J{sub Rb} = −13.3 cm{sup −1}, and J{sub K} = −13.1 cm{sup −1}. Additional ferromagnetic-like long-range ordering has been observed in KCrF{sub 5} and RbCrF{sub 5} below 6 K which can be explained, in a correlation with their crystal structures, as canted antiferromagnetism.

  9. Demonstration of pattern transfer into sub-100 nm polysilicon line/space features patterned with extreme ultraviolet lithography

    International Nuclear Information System (INIS)

    Cardinale, G. F.; Henderson, C. C.; Goldsmith, J. E. M.; Mangat, P. J. S.; Cobb, J.; Hector, S. D.

    1999-01-01

    In two separate experiments, we have successfully demonstrated the transfer of dense- and loose-pitch line/space (L/S) photoresist features, patterned with extreme ultraviolet (EUV) lithography, into an underlying hard mask material. In both experiments, a deep-UV photoresist (∼90 nm thick) was spin cast in bilayer format onto a hard mask (50-90 nm thick) and was subsequently exposed to EUV radiation using a 10x reduction EUV exposure system. The EUV reticle was fabricated at Motorola (Tempe, AZ) using a subtractive process with Ta-based absorbers on Mo/Si multilayer mask blanks. In the first set of experiments, following the EUV exposures, the L/S patterns were transferred first into a SiO 2 hard mask (60 nm thick) using a reactive ion etch (RIE), and then into polysilicon (350 nm thick) using a triode-coupled plasma RIE etcher at the University of California, Berkeley, microfabrication facilities. The latter etch process, which produced steep (>85 degree sign ) sidewalls, employed a HBr/Cl chemistry with a large (>10:1) etch selectivity of polysilicon to silicon dioxide. In the second set of experiments, hard mask films of SiON (50 nm thick) and SiO 2 (87 nm thick) were used. A RIE was performed at Motorola using a halogen gas chemistry that resulted in a hard mask-to-photoresist etch selectivity >3:1 and sidewall profile angles ≥85 degree sign . Line edge roughness (LER) and linewidth critical dimension (CD) measurements were performed using Sandia's GORA(c) CD digital image analysis software. Low LER values (6-9 nm, 3σ, one side) and good CD linearity (better than 10%) were demonstrated for the final pattern-transferred dense polysilicon L/S features from 80 to 175 nm. In addition, pattern transfer (into polysilicon) of loose-pitch (1:2) L/S features with CDs≥60 nm was demonstrated. (c) 1999 American Vacuum Society

  10. The deprotonation energies of BH{sub 5} and AlH{sub 5}: Comparisons to GaH{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Speakman, Lucas D. [Center for Computational Chemistry, University of Georgia, 1004 Cedar Street, Athens, GA 30602-2556 (United States)], E-mail: speakman@ccqc.uga.edu; Turney, Justin M. [Center for Computational Chemistry, University of Georgia, 1004 Cedar Street, Athens, GA 30602-2556 (United States); Schaefer, Henry F. [Center for Computational Chemistry, University of Georgia, 1004 Cedar Street, Athens, GA 30602-2556 (United States)

    2007-01-08

    Hypercoordinate boron is most unusual, leading to considerable theoretical and experimental research on the parent BH{sub 5} molecule. The deprotonation energies of BH{sub 5} and the related molecules AlH{sub 5} and GaH{sub 5} have been of particular interest. Here the energy differences for XH{sub 5}->XH{sub 4}{sup -}+H(X=BandAl) are computed to be 332.4 and 326.3kcalmol{sup -1}, respectively, with an aug-cc-pVQZ basis set at the CCSD(T) level of theory. Vibrational frequencies for BH{sub 4}{sup -} and AlH{sub 4}{sup -} are also reported as 1098, 1210, 2263, and 2284cm{sup -1} and 760, 779, 1658, and 1745cm{sup -1}, respectively, again at the CCSD(T) aug-cc-pVQZ level of theory. Comparisons with the valence isoelectronic GaH{sub 5} molecule are made.

  11. 850-nm hybrid fiber/free-space optical communications using orbital angular momentum modes

    DEFF Research Database (Denmark)

    Jurado-Navas, Antonio; Tatarczak, Anna; Lu, Xiaofeng

    2015-01-01

    Light beams can carry orbital angular momentum (OAM) associated to the helicity of their phasefronts. These OAM modes can be employed to encode information onto a laser beam for transmitting not only in a fiber link but also in a free-space optical (FSO) one. Regarding this latter scenario, FSO...... communications are considered as an alternative and promising mean complementing the traditional optical communications in many applications where the use of fiber cable is not justified. This next generation FSO communication systems have attracted much interest recently, and the inclusion of beams carrying OAM...... modes can be seen as an efficient solution to increase the capacity and the security in the link. In this paper, we discuss an experimental demonstration of a proposal for next generation FSO communication system where a light beam carrying different OAM modes and affected by M turbulence is coupled...

  12. Eye safety report 2 (355 nm). Human risk analysis simulator for space lidars

    International Nuclear Information System (INIS)

    Schulmeister, K.; Mellerio, J.; Sonneck, G.

    2001-09-01

    This report contains the results of a risk study for a satellite based lidar mission that uses a laser in the ultraviolet wavelength range to measure atmospheric properties. A lidar can be considered as a laser radar and is an acronym for light detection and ranging. The lidar measures properties of the atmosphere by analysis of laser radiation that is directed back to the lidar. As only part of the laser radiation is scattered or absorbed by the atmosphere, the remaining laser radiation emitted from the spacecraft is incident on the earth's surface, where it might lead to injuries, especially to the eye, if biological thresholds are exceeded. For the analysed mission there is no hazard to the skin, only a potential one to the eye, but only if ocular exposure occurs with very large telescopes. The wavelength of the laser is 355 nm, which is absorbed by the cornea and lens of the eye. That is, it is not focussed onto the retina of the eye as, for instance, visible wavelengths, and therefore comparatively high levels of laser exposure, are needed to produce an injury in the lens and cornea. Because the footprint of the satellite's laser beam on the surface of the earth is so small and it moves so fast, the chance of the naked eye being exposed to the laser is small. Because of the magnification provided by an optical instrument, and the concomitant reduction in the field of view, the probability of exposure of an eye that is using such an instrument decreases with increasing optical power. However, because an increased optical power implies increased diameter of the light gathering optics, the laser energy delivered to an eye increases with instrument size so that if exposure did occur, the probability of delivering energy to the eye that exceeds the thresholds for damage increases. There are thus two conflicting processes at work for viewing with optical instruments: an increase in diameter increases the energy delivered but reduces the probability of lidar beam

  13. Electric transport properties of the pentatelluride materials HfTe{sub 5} and ZrTe{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Tritt, T M; Wilson, M L; Littleton, R L [and others

    1997-07-01

    The authors have measured the resistivity and thermopower of single crystals as well as polycrystalline pressed powders of the low-dimensional pentatelluride materials: HfTe{sub 5} and ZrTe{sub 5}. They have performed these measurements as a function of temperature between 5K and 320K. In the single crystals there is a peak in the resistivity for both materials at a peak temperature, T{sub p} where T{sub p} {approx} 80K for HfTe{sub 5} and T{sub p} {approx} 145K for ZrTe{sub 5}. Both materials exhibit a large p-type thermopower around room temperature which undergoes a change to n-type below the peak. These data are similar to behavior observed previously in these materials. They have also synthesized pressed powders of polycrystalline pentatelluride materials, HfTe{sub 5} and ZrTe{sub 5}. They have measured the resistivity and thermopower of these polycrystalline materials as a function of temperature between 5K and 320K. For the polycrystalline material, the room temperature thermopower for each of these materials is relatively high, +95 {micro}V/K and +65 {micro}V/K for HfTe{sub 5} and ZrTe{sub 5}, respectively. These values compare closely to thermopower values for single crystals of these materials. At 77 K, the thermopower is +55 {micro}V/K for HfTe{sub 5} and +35 {micro}V/K for ZrTe{sub 5}. In fact, the thermopower for the polycrystals decreases monotonically with temperature to T {approx} 5K, thus exhibiting p-type behavior over the entire range of temperature. As expected, the resistivity for the polycrystals is higher than the single crystal material, with values of 430 m{Omega}-cm and 24 m{Omega}-cm for HfTe{sub 5} and ZrTe{sub 5} respectively, compared to single crystal values of 0.35 m{Omega}-cm (HfTe{sub 5}) and 1.0 m{Omega}-cm (ZrTe{sub 5}). The authors have found that the peak in the resistivity evident in both single crystal materials is absent in these polycrystalline materials. They will discuss these materials in relation to their potential as

  14. Organic solvation of intercalated cations in V/sub 2/O/sub 5/ xerogels

    International Nuclear Information System (INIS)

    Lemordant, D.; Bouhaouss, A.; Aldbert, P.; Baffier, N.

    1986-01-01

    V/sub 2/O/sub 5/ xerogels (V/sub 2/O/sub 5/, 1.6H/sub 2/O) undergo a topotactic reversible exchange reaction at room temperature in organic solvents containing monovalent alkali or divalent (Mn/sup 2+/) cations. Basal spacing are dependent on solvent type and charge-to-radius ratio of guest cations. From the interlayer distances, two solvation stages have been inferred, depending on the nature of the solvent and of the cation, except with Cs/sup +/ for which no intracrystalline swelling by organic solvents is observed

  15. Synthesis and crystal structure of the rare earth borogermanate EuGeBO{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Chi, Yang; Zhuang, Yan; Guo, Sheng-Ping [Yangzhou Univ., Jiangsu (China). College of Chemistry and Chemical Engineering

    2017-03-01

    The synthesis and crystal structure of the rare earth borogermanate EuGeBO{sub 5} are reported. It is synthesized by high-temperature solid-state reaction and crystallizes in the monoclinic space group P2{sub 1}/c (no. 14) with the unit cell parameters a=4.8860(5), b=7.5229(8), c=9.9587(10) Aa, and β=91.709(3) . Its crystal structure features a polyanion-type layer (GeBO{sub 5}){sup 3-} constructed by BO{sub 4} and GeO{sub 4} tetrahedra connected alternatingly. Eu{sup 3+} ions are located in cavities and are coordinated by eight O atoms. Various structures of the related compounds REMM'O{sub 5} (RE=rare earth metal; M=Si, Ge, and Sn; M'=B, Al, and Ga) are also discussed.

  16. Magnetoelastic behaviour of Gd sub 5 Ge sub 4

    CERN Document Server

    Magen, C; Algarabel, P A; Marquina, C; Ibarra, M R

    2003-01-01

    A complete investigation of the complex magnetic behaviour of Gd sub 5 Ge sub 4 by means of linear thermal expansion and magnetostriction measurements (5-300 K, 0-120 kOe) has been carried out. Our results support the suggested existence in this system of a coupled crystallographic-magnetic transition from a Gd sub 5 Ge sub 4 -type Pnma (antiferromagnetic) to a Gd sub 5 Si sub 4 -type Pnma (ferromagnetic) state. Strong magnetoelastic effects are observed at the field-induced first-order magnetic-martensitic transformation. A revised magnetic and crystallographic H- T phase diagram is proposed.

  17. Preparation and electrochemical behaviour of Sb sub 2 O sub 5 films

    Energy Technology Data Exchange (ETDEWEB)

    Badawy, W.A. (Chemistry Dept., Faculty of Science, Univ. of Cairo, Giza (Egypt))

    1990-04-01

    Sb{sub 2}O{sub 5} films of various thicknesses were prepared on glass or glassy carbon using a chemical vapour deposition-spraying technique. A 0.5 M SbCl{sub 5}-ethyl acetate solution was used as a spray. This evaporated in front of the heated substrate and the hydrolysis reaction 2SbCl{sub 5} + 5 H{sub 2}O{yields}Sb{sub 2}O{sub 5} + 10HCl took place, leaving a homogeneous antimony oxide film adherent to the substrate surface. The effect of the thickness of the prepared film on its physical properties was studied. The electrochemical behaviour of electrodes of the oxide film in three different redox couples was investigated. The results reveal that the charge transfer reaction occurring at the electrode-electrode interface takes place via tunnelling of the electrons through the barrier formed by the space charge layer into the Sb{sub 2}O{sub 5} conduction band. (orig.).

  18. Influence of structural disorder on the optical and transport properties of Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloy films

    CERN Document Server

    Kim, K W; Rhee, J Y; Kudryavtsev, Y V; Ri, H C

    2000-01-01

    Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloy films with a total thickness of about 100 nm were prepared by flash evaporation of the crushed alloy powders onto heated (730 K for the ordered state) and LN sub 2 -cooled (150 K for the disordered state) substrates. Structural analysis of the films was performed by suing transmission electron microscopy. The optical conductivity (OC) of the samples was measured at room temperature in a spectral range of 265 -2500 nm (4.7 - 0.5 eV). The resistivity measurements were carried out by using the four-probe technique in a temperature range of 4.2 - 300 K. The experimental OC spectra for the Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloys show the most significant change in the infrared region upon the order-disorder transformation. The structural disorder in the Co sub 0 sub . sub 5 sub 0 Ti sub 0 sub . sub 5 sub 0 alloy film leads to a change in the sign of the temperature coefficient of the resistivity from positive to negative. The observed...

  19. AB/sub 5/-catalyzed hydrogen evolution cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Hall, D E; Sawada, T; Shepard, V R; Tsujikawa, Y

    1984-01-01

    The AB/sub 5/ metal compounds are highly efficient hydrogen evolution electrocatalysts in alkaline electrolyte. Three types of AB/sub 5/-catalyzed cathode structures were made, using the hydride-forming AB/sub 5/ compounds in particulate form. Plastic-bonded cathodes containing >90 w/o AB/sub 5/ (finished-weight basis) were the most efficient, giving hydrogen evolution overpotentials (/eta/ /SUB H2/ ) of about 0.05 V at 200 mA cm/sup -2/. However, they tended to swell and shed material during electrolysis. Pressed, sintered cathodes containing 40-70 w/o catalyst in a nickel binder gave /eta/ /SUB H2/ about0.08 V; catalyst retention was excellent. Porous, sintered cathode coatings were made with 30-70 w/o AB/sub 5/ catalyst loadings. Their overpotentials were similar to those of the pressed, sintered cathodes. However, at catalyst loadings below about 40 w/o, high overpotentials characteristic of the nickel binder were observed. The structural and electrochemical properties of the three AB/sub 5/-catalyzed cathodes are discussed.

  20. Directed Self-assembly of Block Copolymer with Sub-15 nm Domain Spacing Using Nanoimprinted Photoresist Templates

    Science.gov (United States)

    Sun, Zhiwei; Chen, Zhenbin; Zhang, Wenxu; Coughlin, E. Bryan; Xiao, Shuaigang; Russell, Thomas

    There has been increasing interest in preparing block copolymer thin films with ultra-small domain spacings for use as etching masks for ultra-high resolution nanolithography. One method to prepare block copolymer materials with small feature sizes is salt doping, increasing the Flory-Huggins interaction and allowing microphase separation to be maintained at lower molecular weights. Lamellae-forming P2VP- b-PS- b-P2VP block copolymer with various molecular weight was synthesized using RAFT polymerization with a dual functional chain transfer agent. Copper (II) Chloride or Gold (III) chloride was found to be selectively associated with P2VP block and increase the unfavorable interactions between PS and P2VP blocks, driving the disordered block copolymer into the ordered state. A 14 nm lamellar spacing of P2VP- b-PS- b-P2VP thin film was prepared using copper (II) Chloride doping after acetone vapor annealing on neutral brushes. Metallic nano-wire arrays were prepared after selective infiltration of platinum salt into the P2VP domain and oxygen plasma treatment. The directed self-assembly of salt doped P2VP- b-PS- b-P2VP triblock copolymer having long-rang lateral order on nanoimprinted photoresist templates with shallow trenches was also studied.

  1. Surface texture of single-crystal silicon oxidized under a thin V{sub 2}O{sub 5} layer

    Energy Technology Data Exchange (ETDEWEB)

    Nikitin, S. E., E-mail: nikitin@mail.ioffe.ru; Verbitskiy, V. N.; Nashchekin, A. V.; Trapeznikova, I. N.; Bobyl, A. V.; Terukova, E. E. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2017-01-15

    The process of surface texturing of single-crystal silicon oxidized under a V{sub 2}O{sub 5} layer is studied. Intense silicon oxidation at the Si–V{sub 2}O{sub 5} interface begins at a temperature of 903 K which is 200 K below than upon silicon thermal oxidation in an oxygen atmosphere. A silicon dioxide layer 30–50 nm thick with SiO{sub 2} inclusions in silicon depth up to 400 nm is formed at the V{sub 2}O{sub 5}–Si interface. The diffusion coefficient of atomic oxygen through the silicon-dioxide layer at 903 K is determined (D ≥ 2 × 10{sup –15} cm{sup 2} s{sup –1}). A model of low-temperature silicon oxidation, based on atomic oxygen diffusion from V{sub 2}O{sub 5} through the SiO{sub 2} layer to silicon, and SiO{sub x} precipitate formation in silicon is proposed. After removing the V{sub 2}O{sub 5} and silicon-dioxide layers, texture is formed on the silicon surface, which intensely scatters light in the wavelength range of 300–550 nm and is important in the texturing of the front and rear surfaces of solar cells.

  2. Preparation, photoluminescent properties and luminescent dynamics of BaAlF{sub 5}:Eu{sup 2+} nanophosphors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wei [Stem Cell and Tissue Engineering Laboratory, Dalian University of Technology, Dalian, Liaoning 116023 (China); College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Hua, Ruinian, E-mail: rnhua@dlnu.edu.cn [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Liu, Tianqing, E-mail: liutq@dlut.edu.cn [Stem Cell and Tissue Engineering Laboratory, Dalian University of Technology, Dalian, Liaoning 116023 (China); Zhao, Jun [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Na, Liyan [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Chen, Baojiu [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China)

    2014-12-15

    Graphical abstract: Rice-shaped BaAlF{sub 5}:Eu{sup 2+} nanophosphors were synthesized via one-pot hydrothermal process. The as-prepared BaAlF{sub 5}:Eu{sup 2+} are composed of many particles with an average diameter of 40 nm. When excited at 260 nm, the sharp line emission located at 361 nm of Eu{sup 2+} was observed. The optimum doping concentration of Eu{sup 2+} was confirmed to be 5 mol%. The strong ultraviolet emission of Eu{sup 2+} ions in BaAlF{sub 5}:Eu{sup 2+} nanoparticles suggests that these nanoparticles may have potential applications for sensing, solid-state lasers and spectrometer calibration. - Highlights: • BaAlF{sub 5}:Eu{sup 2+} nanophosphors were synthesized via a mild hydrothermal process. • The Van and Huang models were used to research the mechanism of concentration quenching. • The optimum doping concentration of Eu2+ was confirmed to be 5 mol%. - Abstract: Eu{sup 2+}-doped BaAlF{sub 5} nanophosphors were synthesized via a facile one-pot hydrothermal method. The final products were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), and photoluminescence (PL) spectroscopy. XRD results showed that the prepared samples are single-phase. The FE-SEM and TEM images indicated that the prepared BaAlF{sub 5}:Eu{sup 2+} nanophosphors are composed of many rice-shaped particles with an average diameter of 40 nm. When excited at 260 nm, BaAlF{sub 5}:Eu{sup 2+} nanophosphors exhibit the sharp line emissions of Eu{sup 2+} at room temperature. The optimum doping concentration of Eu{sup 2+} was confirmed to be 5 mol%. The Van and Huang models were used to study the mechanism of concentration quenching and the electric dipole–dipole interaction between Eu{sup 2+} can be deduced to be a dominant for quenching fluorescence in BaAlF{sub 5}:Eu{sup 2+} nanophosphors. The strong ultraviolet emission of Eu{sup 2+} in BaAlF{sub 5}:Eu{sup 2+} nanophosphors suggests that

  3. Electronic transitions of C{sub 5}H{sup +} and C{sub 5}H: neon matrix and CASPT2 studies

    Energy Technology Data Exchange (ETDEWEB)

    Fulara, Jan, E-mail: fulara@ifpan.edu.pl [Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel (Switzerland); Institute of Physics, Polish Academy of Sciences, Al. Lotników, 32/46, PL-02-668 Warsaw (Poland); Nagy, Adam; Chakraborty, Arghya; Maier, John P., E-mail: j.p.maier@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel (Switzerland)

    2016-06-28

    Two electronic transitions at 512.3 and 250 nm of linear-C{sub 5}H{sup +} are detected following mass-selective deposition of m/z = 61 cations into a 6 K neon matrix and assigned to the 1 {sup 1}Π←X {sup 1}Σ{sup +} and 1 {sup 1}Σ{sup +}←X {sup 1}Σ{sup +} systems. Five absorption systems of l-C{sub 5}H with origin bands at 528,7, 482.6, 429.0, 368.5, and 326.8 nm are observed after neutralization of the cations in the matrix and identified as transitions from the X {sup 2}Π to 1 {sup 2}Δ, 1 {sup 2}Σ {sup −}, 1 {sup 2}Σ{sup +}, 2 {sup 2}Π, and 3 {sup 2}Π electronic states. The assignment to specific structures is based on calculated excitation energies, vibrational frequencies in the electronic states, along with simulated Franck–Condon profiles.

  4. Study of structural and optical properties of ZnAlQ{sub 5} (zinc aluminum quinolate) organic phosphor for OLED applications

    Energy Technology Data Exchange (ETDEWEB)

    Nagpure, I. M., E-mail: indrajitnagpure@gmail.com; Painuly, Deepshikha [Physics, Department of Sciences and Humanities, National Institute of Technology,Uttarakhand-246174 (India); Rabanal, Maria Eugenia [Department of Materials Science and Engineering and Chemical Engineering,University Carlos III of Madrid, Avd. Universidad 30, 28911 Leganes, Madrid (Spain)

    2016-05-06

    The various composition of ZnAlQ{sub 5} such as Zn{sub 1.5}A{sub 10.5}Q{sub 5}, Zn{sub 1}Al{sub 1}Q{sub 5}, Zn{sub 0.5}Al{sub 1.5}Q{sub 5} organic phosphors were prepared via simple cost effective co-precipitation method. The FTIR, SEM, photoluminescence analysis of the prepared phosphors were reported. ZnQ{sub 2} and AlQ{sub 3} were also prepared by similar method and their properties were compared with different composition of ZnAlQ{sub 5}. The structural elucidation in the form of stretching frequencies of chemical bonds of the prepared phosphor was carried out using Fourier Transform Infrared Spectroscopy (FTIR). The stretching frequency analysis confirms the formation of prepared phosphor materials. The SEM analysis shows the surface morphological behavior of prepared phosphor materials. Greenish photoluminescence were observed at 505 to 510 nm for the different composition of ZnAlQ{sub 5},in which Zn{sub 1.5}Al{sub 0.5}Q{sub 5} shows maximum luminescence intensity at 505 nm. PL emission of ZnQ{sub 2} was observed at 515 nm, while for AlQ{sub 3} at 520 nm. The blue shift of 10 nm was observed in Zn{sub 1.5}A{sub 10.5}Q{sub 5} due to modification of energy level due to presence of Zn{sup 2+} and Al{sup 3+}. The enhancement in PL intensity was observed in Zn{sub 1.5}A{sub 10.5}Q{sub 5} compared to the other composition due to transfer of energy between Zn{sup 2+} and quinolate complex. Optical properties of the prepared materials were evaluated for possible applications in organic light emitting devices (OLED).

  5. Crystal structure of ferroelectric Bi{sub 2}VO{sub 5.5}

    Energy Technology Data Exchange (ETDEWEB)

    Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R. [Indian Inst. of Science, Bangalore (India)

    1997-12-01

    The structure of the {alpha}-phase of bismuth vanadate Bi{sub 2}VO{sub 5.5} has been determined using single crystal X-ray diffraction data in the space group Aba2. The refinement involves a well defined disorder at the vanadium site, which incorporates the features of the superlattice structure with vanadium tetrahedra and oxygen-deficient octahedra that is displaced about the twofold axis.

  6. Mechanical, electronic and thermal properties of Cu{sub 5}Zr and Cu{sub 5}Hf by first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Guohui [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Zhang, Xinyu, E-mail: xyzhang@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Qin, Jiaqian, E-mail: jiaqianqin@gmail.com [Metallurgy and Materials Science Research Institute, Chulalongkorn University, Bangkok 10330 (Thailand); Ning, Jinliang; Zhang, Suhong; Ma, Mingzhen; Liu, Riping [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2015-08-15

    Highlights: • The mechanical and fundamental thermal data of Cu{sub 5}Zr and Cu{sub 5}Hf are determined. • The technologically important elastic anisotropy is obtained and discussed according to its industrial applications. • The brittle/ductile and bonding nature of Cu{sub 5}Zr and Cu{sub 5}Hf are analyzed in details. - Abstract: The structural, elastic, electronic and thermodynamic properties of Cu{sub 5}Zr and Cu{sub 5}Hf compounds are investigated by first-principles calculations combined with the quasi-harmonic Debye model. The calculated lattice parameters of cubic AuBe{sub 5}-type Cu{sub 5}Zr and Cu{sub 5}Hf agree well with available experimental and other theoretical results and the formation enthalpy calculations show that AuBe{sub 5}-type Cu{sub 5}Hf is more energetically stable than the competing hexagonal CaCu{sub 5}-type phase. The mechanical properties such as mechanical stabilities, anisotropy character, ductility (estimated from the value of B/G, Poisson’s ratio υ and Cauchy pressures C{sub 12}–C{sub 44}) and thermodynamic properties such as volume change under temperature and pressure (V/V{sub 0}), heat capacity (C{sub v}), Debye temperature (Θ), thermal expansion coefficient (α) of AuBe{sub 5}-type Cu{sub 5}Zr and Cu{sub 5}Hf are calculated together. Cu{sub 5}Hf has better performances than Cu{sub 5}Zr with higher hardness and better resistance to fracture which are rationalized from the calculated electronic structure (including density of states, charge density distributions, Mulliken’s population analysis) and we find that all ionic, covalent and metallic components exist in bonding of Cu{sub 5}Zr and Cu{sub 5}Hf but the covalent bonding in Cu{sub 5}Hf is stronger.

  7. Ga and Pt NMR study of UPtGa sub 5 and UNiGa sub 5

    CERN Document Server

    Kato, H; Tokunaga, Y; Tokiwa, Y; Ikeda, S; Onuki, Y; Kambe, S; Walstedt, R E

    2003-01-01

    Ga and Pt NMR measurements have been carried out for two isomorphs compounds, UPtGa sub 5 and UNiGa sub 5 , which exhibit different magnetic structures below T sub N. Knight shift K measurements in the paramagnetic region are reported here. The transferred hyperfine coupling constants at Ga and Pt sites are determined. The temperature independent part K sub 0 of K, which probes the conduction electron polarization at the ligand site, has been successfully evaluated. A nearly identical conduction electron structure in the paramagnetic region is suggested for these two compounds. The origin of the different magnetic structures is discussed.

  8. Structure and physical properties of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Fang; Forbes, Scott [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Ramachandran, Krishna Kumar [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

    2015-11-25

    The Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} phase was prepared by arc-melting, while the Cr{sub 5}B{sub 3}-type Ta{sub 5}Ge{sub 3} one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} are Pauli paramagnets, with Ta{sub 5}Ge{sub 3} showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases. • Crystal and electronic structure analysis for Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phase by X-ray diffraction and TB-LMTO-ASA calculations.

  9. The influence of nanoscale heterostructures on the thermoelectric properties of bi-substituted Tl{sub 5}Te{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Heinke, Frank; Schlegel, Robert; Schwarzmueller, Stefan; Oeckler, Oliver [Institute for Mineralogy, Crystallography, and Materials Science, Faculty of Chemistry and Mineralogy, Leipzig University (Germany); Eisenburger, Lucien [University of Munich (LMU), Department Chemie (Germany)

    2017-03-16

    Tl{sub 4.5}Bi{sub 0.5}Te{sub 3} crystallizes in a distorted variant of the Tl{sub 5}Te{sub 3} structure type in the space group I4/m. The symmetry reduction compared to Tl{sub 5}Te{sub 3} (space group I4/mcm) is a consequence of cation ordering as shown by resonant X-ray scattering using synchrotron radiation. Tl and Bi predominantly occupy one Wyckoff site each. This ordering is accompanied by displacements of Te atoms. The influence of nanostructuring on the thermoelectric performance of Tl{sub 4.5}Bi{sub 0.5}Te{sub 3} was investigated for the new composite model system Tl{sub 4.5}Bi{sub 0.5}Te{sub 3} - TlInTe{sub 2}. For the nominal composition (Tl{sub 4.5}Bi{sub 0.5}Te{sub 3}){sub 0.6}(TlInTe{sub 2}){sub 0.4}, the thermoelectric Figure of merit ZT reaches 0.8 at 325 C. Nanoscaled precipitates with sizes of about 100-200 nm probably have beneficial influence on the thermal conductivity at this temperature. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. 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}.

  11. High-pressure synthesis and crystal structure of In{sub 3}B{sub 5}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Vitzthum, Daniela; Schauperl, Michael; Liedl, Klaus R.; Huppertz, Hubert [Univ. Innsbruck (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2017-03-01

    Orthorhombic In{sub 3}B{sub 5}O{sub 12} was synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 12.2 GPa and 1500 C. Its structure is isotypic to the rare earth analogs RE{sub 3}B{sub 5}O{sub 12} (RE=Sc, Er-Lu). In the field of indium borate chemistry, In{sub 3}B{sub 5}O{sub 12} is the third known ternary indium borate besides InBO{sub 3} and InB{sub 5}O{sub 9}. The crystal structure of In{sub 3}B{sub 5}O{sub 12} has been determined via single-crystal X-ray diffraction data collected at room temperature. It crystallizes in the orthorhombic space group Pmna with the lattice parameters a=12.570(2), b=4.5141(4), c=12.397(2) Aa, and V=703.4(2) Aa{sup 3}. IR and Raman bands of In{sub 3}B{sub 5}O{sub 12} were theoretically determined and assigned to experimentally recorded spectra.

  12. Nb{sub 2}O{sub 5} hollow nanospheres as anode material for enhanced performance in lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Sasidharan, Manickam [Department of Chemistry, Faculty of Science and Engineering, Saga University, 1 Honjo-machi, Saga 840-8502 (Japan); Gunawardhana, Nanda [Advanced Research Center, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan); Yoshio, Masaki, E-mail: yoshio@cc.saga-u.ac.jp [Advanced Research Center, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan); Nakashima, Kenichi, E-mail: nakashik@cc.saga-u.ac.jp [Department of Chemistry, Faculty of Science and Engineering, Saga University, 1 Honjo-machi, Saga 840-8502 (Japan)

    2012-09-15

    Graphical abstract: Nb{sub 2}O{sub 5} hollow nanosphere constructed electrode delivers high capacity of 172 mAh g{sup −1} after 250 cycles and maintains structural integrity and excellent cycling stability. Highlights: ► Nb{sub 2}O{sub 5} hollow nanospheres synthesis was synthesized by soft-template. ► Nb{sub 2}O{sub 5} hollow nanospheres were investigated as anode material in Li-ion battery. ► Nanostructured electrode delivers high capacity of 172 mAh g{sup −1} after 250 cycles. ► The electrode maintains the structural integrity and excellent cycling stability. ► Nanosized shell domain facilitates fast lithium intercalation/deintercalation. -- Abstract: Nb{sub 2}O{sub 5} hollow nanospheres of average diameter ca. ∼29 nm and hollow cavity size ca. 17 nm were synthesized using polymeric micelles with core–shell–corona architecture under mild conditions. The hollow particles were thoroughly characterized by transmission electron microscope (TEM), X-ray diffraction (XRD), infrared spectroscopy (FTIR), thermal (TG/DTA) and nitrogen adsorption analyses. Thus obtained Nb{sub 2}O{sub 5} hollow nanospheres were investigated as anode materials for lithium ion rechargeable batteries for the first time. The nanostructured electrode delivers high capacity of 172 mAh g{sup −1} after 250 cycles of charge/discharge at a rate of 0.5 C. More importantly, the hollow particles based electrodes maintains the structural integrity and excellent cycling stability even after exposing to high current density 6.25 A g{sup −1}. The enhanced electrochemical behavior is ascribed to hollow cavity coupled with nanosized Nb{sub 2}O{sub 5} shell domain that facilitates fast lithium intercalation/deintercalation kinetics.

  13. Growth of α-V{sub 2}O{sub 5} nanostructured thin films as a function of deposition process

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Megha, E-mail: meghasingh.life@gmail.com; Sharma, Rabindar K.; Reddy, G. B. [Thin film Laboratory, Department of Physics, Indian Institute of Technology Delhi -110016 (India)

    2016-05-23

    In this communication, we synthesizedvanadium pentoxide (α-V{sub 2}O{sub 5}) nanostructured thin films (NSTs) using four different methods for obtaining vanadate species namely thermal evaporation (source of vanadate species are V{sub 2}O{sub 5} powder and vanadium metal foil) and plasma assisted sublimation process (source of vanadate species are V{sub 2}O{sub 5} powder and vanadium metal foil). The effect of plasmaon morphological and structural propertieshave been systematicallystudied. XRD revealed thermal evaporation process yielded amorphous films whereassublimation process yielded highly crystalline α-V{sub 2}O{sub 5} films. HRTEM of nanobelts show, the growth is preferred in (001) crystallographic direction with interplanar distance of 0.43 nm. XPS revealed O/V ratio of ~2.4, which nearly agrees with standard V{sub 2}O{sub 5} stoichiometry. SEM revealed deposition process affect morphology of films; thermal evaporation results in smoother film while plasma assisted sublimation process reveals nanoflakes and nanobelts (NBs). All the results are inconcordance with each other.

  14. Pre-potential in the AdS{sub 5}×S{sup 5} type IIB superspace

    Energy Technology Data Exchange (ETDEWEB)

    Poláček, Martin; Siegel, Warren [C.N. Yang Institute for Theoretical Physics, State University of New York,100 Nicolls Rd., Stony Brook, NY 11794-3840 (United States)

    2017-01-16

    We found the pre-potential in the superspace with AdS{sub 5} × S{sup 5} background. The pre-potential appears as part of the vielbeins, without derivatives. In both subspaces (AdS{sub 5} and S{sup 5}) we used Poincaré coordinates. We picked one bulk coordinate in AdS{sub 5} and one bulk coordinate in S{sup 5} to define the space-cone gauge. Such space-cone gauge destroys the bulk Lorentz covariance. However, it still preserves boundary Lorentz covariance (and gives projective superspace) SO(3,1)⊗SO(4) and so symmetries of boundary CFT are manifest.

  15. Photovoltaic effect in Bi{sub 2}TeO{sub 5} photorefractive crystal

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Ivan de, E-mail: ivan@ft.unicamp.brg; Capovilla, Danilo Augusto [GOMNI-Faculdade de Tecnologia/UNICAMP, Limeira (Brazil); Carvalho, Jesiel F.; Montenegro, Renata; Fabris, Zanine V. [Instituto de Física/Universidade Federal de Goiás, Goiânia (Brazil); Frejlich, Jaime [Instituto de Física “Gleb Wataghin”/UNICAMP, Campinas (Brazil)

    2015-10-12

    We report on the presence of a strong photovoltaic effect on nominally undoped photorefractive Bi{sub 2}TeO{sub 5} crystals and estimated their Glass photovoltaic constant and photovoltaic field for λ = 532 nm illumination. We directly measured the photovoltaic-based photocurrent in this material under λ = 532 nm wavelength laser light illumination and compared its behavior with that of a well known photovoltaic Fe-doped Lithium Niobate crystal. We also show the photovoltaic current to strongly depend on the polarization direction of light. Holographic diffraction efficiency oscillation during recording and the behavior of fringe-locked running holograms in self-stabilized experiments are also demonstrated here as additional indirect proofs of the photovoltaic nature of this material.

  16. Nano crystalline Bi{sub 2}(VO{sub 5}) phases in lithium bismuth borate glasses containing mixed vanadium-nickel oxides

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Arti, E-mail: artidabhur@gmail.com; Khasa, S.; Dahiya, M. S. [Department of Physics, Deenbandhu Chhotu Ram University of Science and Technology, Murthal, India-131039 (India); Agarwal, A. [Department of Applied Physics, G. J. University of Science and Technology, Hisar, India-125001 (India)

    2016-05-23

    Glass composition 7V{sub 2}O{sub 5}·23Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} and x(2NiO·V{sub 2}O{sub 5})·(30-x)Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3}, x=0, 2, 5, 7 and 10, were produced by conventional melt quenching technique. The quenched amorphous glass samples were annealed at temperatures 400°C and 500°C for 6 hours. The Bi{sub 2}(VO{sub 5}) crystallite were grown in all prepared glass matrix. Tn vanadium lithium bismuth borate glass (annealed), the some phrase of V{sub 2}O{sub 5}-crystal were observed along with the nano crystalline Bi{sub 2}(VO{sub 5}) phase. The sharp peaks in FTTR spectra of all annealed compositions were also compatible with the XRD diffraction peaks of the system under investigation. Average crystalline size (D) of the Bi{sub 2}(VO{sub 5}) nano-crystallite was ~30 nm for samples annealed at 400°C and ~42 nm for samples annealed at 500°C. Lattice parameter and the lattice strain for all the samples was also calculated corresponding to the (113) plane of Bi{sub 2}(VO{sub 5}) crystallite.

  17. Hard X-ray MCD in GdNi/sub 5/ and TbNi/sub 5/ single crystals

    CERN Document Server

    Galera, R M

    1999-01-01

    XMCD experiments have been performed at the R L/sub 2,3/ and Ni K- edges on magnetically saturated single crystals of GdNi/sub 5/ and Tb Ni/sub 5/ ferromagnetic compounds. The spectra present huge and well structured dichroic $9 signals at both the R L/sub 2,3/ and the Ni K- edges. Structures from the quadrupolar (2p to 4f) transitions are clearly observed at the R L/sub 2,3/-edges. Though Ni is not magnetic, large intensities, up to 0.4, are measured at the $9 Ni K- edge. The Ni K-edge XMCD shows a three-peak structure which intensities dependent on the rare earth. (7 refs).

  18. HP-CsB{sub 5}O{sub 8}. Synthesis and characterization of an outstanding borate exhibiting the simultaneous linkage of all structural units of borates

    Energy Technology Data Exchange (ETDEWEB)

    Sohr, Gerhard; Huppertz, Hubert [Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universitaet Innsbruck (Austria); Toebbens, Daniel M. [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany); Schmedt auf der Guenne, Joern [Department fuer Chemie/Biologie, Universitaet Siegen (Germany)

    2014-12-15

    The new cesium pentaborate HP-CsB{sub 5}O{sub 8} is synthesized under high-pressure/high-temperature conditions of 6 GPa and 900 C in a Walker-type multianvil apparatus. The compound crystallizes in the orthorhombic space group Pnma (Z=4) with the parameters a=789.7(1), b=961.2(1), c=836.3(1) pm, V=0.6348(1) nm{sup 3}, R{sub 1}=0.0359 and wR{sub 2}=0.0440 (all data). The new structure type of HP-CsB{sub 5}O{sub 8} exhibits the simultaneous linkage of trigonal BO{sub 3} groups, corner-sharing BO{sub 4} tetrahedra, and edge-sharing BO{sub 4} tetrahedra including the presence of threefold-coordinated oxygen atoms. With respect to the rich structural chemistry of borates, HP-CsB{sub 5}O{sub 8} is the second structure type possessing this outstanding combination of the main structural units of borates in one compound. The structure consists of corrugated chains of corner- and edge-sharing BO{sub 4} tetrahedra interconnected through BO{sub 3} groups forming octagonal channels. Inside these channels, cesium is 13+3-fold coordinated by oxygen atoms. {sup 11}B MQMAS NMR spectra are analyzed to estimate the isotropic chemical shift values and quadrupolar parameters. IR and Raman spectra are obtained and compared to the calculated vibrational frequencies at the Γ-point. The high-temperature behavior is examined by means of temperature-programmed powder diffraction. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. A comparative study: Effect of plasma on V{sub 2}O{sub 5} nanostructured thin films

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Megha; Kumar, Prabhat; Sharma, Rabindar K., E-mail: rkrksharma6@gmail.com; Reddy, G. B. [Thin film laboratory, Department of Physics, Indian Institute of Technology Delhi, Delhi (India)

    2016-05-06

    Vanadium pentoxide nanostructured thin films (NSTs) have been studied to analyze the effect of plasma on nanostructures grown and morphology of films deposited using sublimation process. Nanostructured thin films were deposited on glass substrates, one in presence of oxygen plasma and other in oxygen environment (absence of plasma). Films were characterized using XRD, Raman spectroscopy, SEM and HRTEM. XRD studies revealed α-V{sub 2}O{sub 5} films (orthorhombic phase) with good crystallinity. However, film deposited in presence of plasma have higher peak intensities as compared to those deposited in absence of plasma. Raman studies also support these finding following same trends of considerable increase in intensity in case of film deposited in presence of plasma. SEM micrographs makes the difference more visible, as film deposited in plasma have well defined plate like structures whereas other film have not-clearly-defined petal-like structures. HRTEM results show orthorhombic phase with 0.39 nm interplanar spacing, as reported by XRD. Results are hereby in good agreement with each other.

  20. Spectroscopic properties of K{sub 5}Li{sub 2}UF{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Karbowiak, M. [Faculty of Chemistry, University of WrocIaw, ul. F. Joliot-Curie 14, 50-383 WrocIaw (Poland)]. E-mail: karb@wchuwr.chem.uni.wroc.pl; Gajek, Z. [W. Trzebiatowski Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 WrocIaw (Poland); Drozdzynski, J. [Faculty of Chemistry, University of WrocIaw, ul. F. Joliot-Curie 14, 50-383 WrocIaw (Poland)

    2005-04-04

    A new uranium (III) fluoro-complex of the formula K{sub 5}Li{sub 2}UF{sub 10} has been synthesised and characterised by X-ray powder diffraction and electronic absorption spectra measurements. The compound crystallises in the orthorhombic system, space group Pnma, with a = 20.723, b = 7.809, c = 6.932 A, V = 1121.89 A{sup 3}, Z = 4 and is isostructural with its K{sub 5}Li{sub 2}NdF{sub 10} and K{sub 5}Li{sub 2}LaF{sub 10} analogous. The absorption spectrum of a polycrystalline sample of K{sub 5}Li{sub 2}UF{sub 10} was recorded at 4.2 K in the 3500-45,000 cm{sup -1} range and is discussed. The observed crystal-field levels were assigned and fitted to parameters of the simplified angular overlap model (AOM) and next to those of a semi-empirical Hamiltonian, which was representing the combined atomic and one-electron crystal-field interactions. The starting values of the AOM parameters were obtained from ab initio calculations. The analysis of the spectra enabled the assignment of 71 crystal-field levels of U{sup 3+} with a relatively small r.m.s. deviation of 37 cm{sup -1}. The total splitting of 714 cm{sup -1} was calculated for the {sup 4}I{sub 9/2} ground multiplet.

  1. Ba/sub 2/Ge/sub 2/Te/sub 5/, a new telluridogermanate(III) with chain structure

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-10-01

    The new compound Ba/sub 2/Ge/sub 2/Te/sub 5/ crystallizes in the orthorhombic system (space group: Pna2/sub 1/ (No. 33)). The lattice constants are given. In the structure distorted Ge/sub 2/Te/sub 6/-trigonal prisms are connected by common corners to infinite chains.

  2. The effects of heat treatment on optical, structural, electrochromic and bonding properties of Nb{sub 2}O{sub 5} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Coşkun, Özlem Duyar, E-mail: duyar@hacettepe.edu.tr [Hacettepe University, Department of Physics Engineering, Thin Film Preparation and Characterization Laboratory, Ankara (Turkey); Demirel, Selen, E-mail: nymph24@gmail.com [Hacettepe University, Department of Physics Engineering, Thin Film Preparation and Characterization Laboratory, Ankara (Turkey); Hacettepe University, Nanotechnology and Nanomedicine Department, Ankara (Turkey); Atak, Gamze, E-mail: gbaser@hacettepe.edu.tr [Hacettepe University, Department of Physics Engineering, Thin Film Preparation and Characterization Laboratory, Ankara (Turkey)

    2015-11-05

    Nb{sub 2}O{sub 5} thin films were deposited onto heated glass substrates by RF magnetron sputtering using a Nb{sub 2}O{sub 5} target. The films were annealed in air at temperatures between 400 and 700 °C for 6 h. Effects of the crystalline structure on optical, structural, electrochromic and bonding properties of the Nb{sub 2}O{sub 5} thin films were investigated by X-ray diffraction, atomic force microscopy, X-ray photoelectron spectroscopy, optical spectrophotometry and electrochemical measurements. The film refractive index varied between 2.09 and 2.22 at the wavelength of 550 nm depending on the annealing temperature. The decrease of the optical band gap revealed for the films with increasing annealing temperature is attributed to oxygen-ion vacancies in the film structure. The orthorhombic structure of Nb{sub 2}O{sub 5} films resulted in good electrochromic properties with high colouration efficiencies of 19.56 cm{sup 2}/C and 53.24 cm{sup 2}/C at 550 nm and 1000 nm, respectively. The optical, structural and electrochromic properties of the different crystalline polymorphic forms of the Nb{sub 2}O{sub 5} films make them attractive for optical applications. - Highlights: • Stoichiometric Nb{sub 2}O{sub 5} films prepared using RF magnetron sputtering technique. • The different crystalline forms of Nb{sub 2}O{sub 5} thin films obtained by annealing. • The optical, structural and electrochromic properties of the films were investigated. • The optical band gap decreased with increasing annealing temperature. • The orthorhombic T-Nb{sub 2}O{sub 5} films exhibited a higher colouration efficiency.

  3. The Cardy limit of the topologically twisted index and black strings in AdS{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Hosseini, Seyed Morteza; Nedelin, Anton; Zaffaroni, Alberto [Dipartimento di Fisica, Università di Milano-Bicocca,I-20126 Milano (Italy); INFN, Sezione di Milano-Bicocca,I-20126 Milano (Italy)

    2017-04-04

    We evaluate the topologically twisted index of a general four-dimensional N=1 gauge theory in the “high-temperature' limit. The index is the partition function for N=1 theories on S{sup 2}×T{sup 2}, with a partial topological twist along S{sup 2}, in the presence of background magnetic fluxes and fugacities for the global symmetries. We show that the logarithm of the index is proportional to the conformal anomaly coefficient of the two-dimensional N=(0,2) SCFTs obtained from the compactification on S{sup 2}. We also present a universal formula for extracting the index from the four-dimensional conformal anomaly coefficient and its derivatives. We give examples based on theories whose holographic duals are black strings in type IIB backgrounds AdS{sub 5}×SE{sub 5}, where SE{sub 5} are five-dimensional Sasaki-Einstein spaces.

  4. Non-adiabatic Landau-Zener transitions in low-spin molecular magnet V sub 1 sub 5

    CERN Document Server

    Chiorescu, I; Müller, A; Bögge, H; Barbara, B

    2000-01-01

    The V sub 1 sub 5 polyoxovanadate molecule is made of 15 spins ((1)/(2)) with antiferromagnetic couplings. It belongs to the class of molecules with very large Hilbert space dimension (2 sup 1 sup 5 in V sub 1 sub 5 , 10 sup 8 in Mn sub 1 sub 2 -AC). It is a low spin/large molecule with spin S=((1)/(2)). Contrary to large spins/large molecules of the Mn sub 1 sub 2 -AC type, V sub 1 sub 5 has no energy barrier against spin rotation. Magnetization measurements have been performed and despite the absence of a barrier, magnetic hysteresis is observed over a timescale of several seconds. This new phenomenon characterized by a 'butterfly' hysteresis loop is due to the effect of the environment on the quantum rotation of the entangled 15 spins of the molecule, in which the phonon density of states is not at its equilibrium (phonon bottleneck).

  5. 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.

  6. NMR and magnetic studies of mechanically alloyed Co sub 7 sub 5 Ti sub 2 sub 5

    CERN Document Server

    Hiraoka, K; Tomiyoshi, S

    2003-01-01

    We have measured zero field sup 5 sup 9 Co NMR, X-ray diffraction (XRD) and magnetization in ferromagnetic mechanically alloyed Co sub 7 sub 5 Ti sub 2 sub 5 powder as a function of milling time at 4.2 K. The XRD patterns showed that the sample is primarily in an amorphous phase after a short milling time of 10 h, and no clear amorphous-crystalline phase transformation is detected with further milling. The NMR results revealed that successive phase transformations occur with milling, and the amorphous phase consists of small clusters of such ferromagnetic phases as fcc-Co sub 3 Ti, hexagonal-Co sub 2 Ti, bcc-Co sub 3 Ti, fcc-Co and fcc-Co-Ti solid solution depending on the milling time. The bcc-Co sub 3 Ti phase, being metastable, is a disordered one in contrast to the ordered fcc-Co sub 3 Ti phase and has a Co magnetic moment larger than that of fcc-Co sub 3 Ti. We suggest that the precipitation of Co plays an important role in the cyclic phase transformation, which was previously reported. (author)

  7. First Principles Investigation of the Mechanical, Thermodynamic and Electronic Properties of FeSn{sub 5} and CoSn{sub 5} Intermetallic Phases under Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Wenming; Liu, Jing; Wang, Hong [China Building Materials Academy, Beijing (China); Zhang, Zhenwei [Linyi Academy of Technology Cooperation and Application, Linyi (China); Zhang, Liang [NeoTrident Technology Ltd., Shanghai (China); Bu, Yuxiang [Shandong University, Jinan (China)

    2017-02-15

    For guidance for developing Fe/Co-Sn-based anode materials for lithium-ion batteries, the mechanical, thermodynamic and electronic properties of FeSn{sub 5} and CoSn{sub 5} intermetallic phases under pressures ranging from 0 to 30 GPa have been investigated systematically using first-principles total-energy calculations within the framework of the generalized gradient approximation. The pressure was found to have significant effects on the mechanical, thermodynamic and electronic properties of these compounds. In the selected pressure range, CoSn{sub 5} has a more negative formation enthalpy than FeSn{sub 5}. Based on the calculated elastic constants, the bulk modulus, shear modulus, and Young's modulus were determined via the Viogt-Reuss-Hill averaging scheme. The variations of specific heats at constant volume for FeSn{sub 5} and CoSn{sub 5} in a wide pressure (0 - 30 GPa) and temperature (0 - 1000 K) range are also predicted from phonon density of states calculation. The calculated results suggested that both FeSn{sub 5} and CoSn{sub 5} are mechanically stable at pressure from 0 to 30 GPa. FeSn{sub 5} is dynamically stable at pressure up to, 30 GPa, at least, however, CoSn{sub 5} is dynamically stable no higher than 15 GPa.

  8. Structural and optical properties of sol-gel deposited proton conducting Ta{sub 2}O{sub 5} films

    Energy Technology Data Exchange (ETDEWEB)

    Ozer, N.; Lampert, C.M.

    1995-08-01

    Proton conducting tantalum oxide films were deposited by spin coating using a sol-gel process. The coating solutions were prepared using Ta(OC{sub 2}H{sub 5}){sub 5} as a precursor. X-ray diffraction studies determined that the sol-gel films, heat treated at temperatures below 400 C, were amorphous. Films heat treated at higher temperatures were crystalline Ta{sub 2}O{sub 5}. The solar transmission values (T{sub s}) of tantala films on glass generally range from 0.8--0.9 depending on thickness. The refractive index and the extinction coefficient were evaluated from transmittance characteristics in the UV-VIS-NIR regions. The refractive index values calculated at 550 nm increased from 1.78 to 1.97 with increasing heat treatment from 150 to 450 C. The films heat treated at different temperatures showed low absorption with extinction coefficients of less than k=1x10{sup -3} in the visible range. Spectrophotometric and impedance spectroscopic investigations performed on Ta{sub 2}O{sub 5} films revealed that these films have protonic conductivity of 3.2x10{sup -6} S/cm. The films are suitable for proton conducting layers in electrochromic (EC) devices.

  9. Si{sub 2}Sb{sub 2}Te{sub 5} phase change material studied by an atomic force microscope nano-tip

    Energy Technology Data Exchange (ETDEWEB)

    Liu Yanbo; Min Guoquan; Zhang Jing; Zhou Weimin; Wan Yongzhong; Zhang Jianping; Li Xiaoli [Laboratory of Nano-Technology, Shanghai Nanotechnology Promotion Center, Shanghai 200237 (China); Zhang Ting; Niu Xiaoming; Song Zhitang; Feng Songlin, E-mail: liuyanbo@snpc.org.c, E-mail: tzhang@mail.sim.ac.c [State Key Laboratory of Functional Materials for Informatics, Laboratory of Nanotechnology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)

    2009-06-01

    The Si{sub 2}Sb{sub 2}Te{sub 5} phase change material has been studied by applying a nano-tip (30 nm in diameter) on an atomic force microscopy system. Memory switching from a high resistance state to a low resistance state has been achieved, with a resistance change of about 1000 times. In a typical I-V curve, the current increases significantly after the voltage exceeds approx4.3 V. The phase transformation of a Si{sub 2}Sb{sub 2}Te{sub 5} film was studied in situ by means of in situ X-ray diffraction and temperature dependent resistance measurements. The thermal stability of Si{sub 2}Sb{sub 2}Te{sub 5} and Ge{sub 2}Sb{sub 2}Te{sub 5} was characterized and compared as well.

  10. “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.

  11. Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba{sub 2}FePnSe{sub 5} (Pn=Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jian; Greenfield, Joshua T.; Kovnir, Kirill

    2016-10-15

    Two new barium iron pnictide–selenides, Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, were synthesized by a high-temperature solid-state route and their crystal structures were determined using single crystal X-ray diffraction. Both compounds are isomorphic to the high pressure phase Ba{sub 3}FeS{sub 5} and crystallize in the orthorhombic space group Pnma (No. 62) with cell parameters of a=12.603(2)/12.619(2) Å, b=9.106(1)/9.183(1) Å, c=9.145(1)/9.123(1) Å and Z=4 for Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, respectively. According to differential scanning calorimetry, Ba{sub 2}FePnSe{sub 5} compounds exhibit high thermal stability and melt congruently at 1055(5) K (Pn=Sb) and 1105(5) K (Pn=Bi). Magnetic characterizations reveal strong antiferromagnetic nearest-neighbor interactions in both compounds resulting in an antiferromagnetic ordering at 58(1) K for Ba{sub 2}FeSbSe{sub 5} and 79(2) K for Ba{sub 2}FeBiSe{sub 5}. The magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Graphical abstract: In Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} the magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Highlights: • New compounds Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} have been synthesized. • The crystal structure was determined by single crystal X-ray diffraction. • Both compounds melt congruently at temperatures above 1000 K. • Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} exhibit AFM ordering at 58 K (Sb) and 70 K (Bi). • Magnetic exchange between Fe{sup 3+} is mediated by either Se–Sb(Bi)–Se or Se–Ba–Se bridges.

  12. Effect of the reaction time on the microstructure and porous texture of carbon materials obtained by chlorination of Ti(C{sub 5}H{sub 5})Cl{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Araujo-Pérez, D.J. [Centro de Investigación en Micro y Nanotecnología, Universidad Veracruzana, 94294, Boca del Río, Veracruz (Mexico); González-García, P., E-mail: pedro.gonzalez@cidesi.edu.mx [CONACYT Research Fellow – Centro de Ingeniería y Desarrollo Industrial, 76130, Querétaro, Querétaro (Mexico); Poisot, M. [Instituto de Química Aplicada, Universidad del Papaloapan, 68301, San Juan Bautista Tuxtepec, Oaxaca (Mexico); García-González, L. [Centro de Investigación en Micro y Nanotecnología, Universidad Veracruzana, 94294, Boca del Río, Veracruz (Mexico)

    2015-09-15

    Carbon materials have been obtained by the chlorination reaction of Ti(C{sub 5}H{sub 5})Cl{sub 2} at 900 °C, varying the reaction time at 30, 60, 90 and 120 min. The average microstructure, studied by X ray powder diffraction, suggest that these materials consist mainly of disordered carbon with low graphitization degree (from 13.5 to 16.5%). These results are in agreement with the Raman data since the D band (at ≈ 1350 cm{sup −1}) indicates that disordered carbon networks have appeared. The calculated in-plane correlation length increases from 4.04 to 4.70 nm as the chlorination time increases from 30 to 120 min. The textural analyses reveal adsorption isotherms type 1 with hysteresis H4, microporous areas as high as 855 m{sup 2}/g and pore volume of 0.55 cm{sup 3}/g. Additionally, an important contribution of mesoporosity, around 3.6 nm, was also detected. - Highlights: • Micro-mesoporous carbon materials were obtained by chlorination of Ti(C{sub 5}H{sub 5}){sub 2}Cl{sub 2} at 900 °C. • The effect of chlorination exposure time on the microstructure and textural properties was studied. • Microstructural analysis by XRD and Raman showed that carbon samples are mainly disordered. • N{sub 2} adsorption/desorption isotherms showed isotherms type 1 with hysteresis H4. • Micropore size increases at longer chlorination time; in contrast, pore volume decreases.

  13. Rapid Solidification of AB{sub 5} Hydrogen Storage Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gulbrandsen-Dahl, Sverre

    2002-01-01

    This doctoral thesis is concerned with rapid solidification of AB{sub 5} materials suitable for electrochemical hydrogen storage. The primary objective of the work has been to characterise the microstructure and crystal structure of the produced AB{sub 5} materials as a function of the process parameters, e.g. the cooling rate during rapid solidification, the determination of which has been paid special attention to. The thesis is divided into 6 parts, of which Part I is a literature review, starting with a short presentation of energy storage alternatives. Then a general review of metal hydrides and their utilisation as energy carriers is presented. This part also includes more detailed descriptions of the crystal structure, the chemical composition and the hydrogen storage properties of AB{sub 5} materials. Furthermore, a description of the chill-block melt spinning process and the gas atomisation process is given. In Part II of the thesis a digital photo calorimetric technique has been developed and applied for obtaining in situ temperature measurements during chill-block melt spinning of a Mm(NiCoMnA1){sub 5} hydride forming alloy (Mm = Mischmetal of rare earths). Compared with conventional colour transmission temperature measurements, this technique offers a special advantage in terms of a high temperature resolutional and positional accuracy, which under the prevailing experimental conditions were found to be {+-}29 K and {+-} 0.1 mm, respectively. Moreover, it is shown that the cooling rate in solid state is approximately 2.5 times higher than that observed during solidification, indicating that the solid ribbon stayed in intimate contact with the wheel surface down to very low metal temperatures before the bond was broken. During this contact period the cooling regime shifted from near ideal in the melt puddle to near Newtonian towards the end, when the heat transfer from the solid ribbon to the wheel became the rate controlling step. In Part III of the

  14. Site selective spectroscopy in BaYF{sub 5}:RE{sup 3+} (RE = Eu, Sm) nano-glass–ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Castillo, J. del, E-mail: fjvargas@ull.edu.es [Dpto. Física, Universidad de La Laguna, 38206 La Laguna, Tenerife (Spain); Yanes, A.C. [Dpto. Física, Universidad de La Laguna, 38206 La Laguna, Tenerife (Spain); Abe, S.; Smet, P.F. [LumiLab, Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, 9000 Gent (Belgium); Center for Nano- and Biophotonics (NB Photonics), Ghent University (Belgium)

    2015-06-25

    Highlights: • We obtained sol–gel transparent nGCs with Eu{sup 3+}, Sm{sup 3+}-doped cubic BaYF{sub 5} nanocrystals. • Eu{sup 3+}-doped BaYF{sub 5} NCs were prepared by solvothermal method. • Their luminescent properties were studied and compared with the Eu{sup 3+}-doped nGCs. • Eu{sup 3+}/Sm{sup 3+} were used as probe ions in the nGCs to distinguish different environments. • The incorporation of a large fraction of RE ions into the BaYF{sub 5} NCs was confirmed. - Abstract: Trivalent rare-earth (RE = Eu, Sm) doped transparent nano-glass–ceramics comprising BaYF{sub 5} nanocrystals were successfully obtained by appropriate heat-treatment of the corresponding precursor sol–gel glasses. Their structural and spectroscopic properties were investigated and compared with those for Eu{sup 3+}-doped-BaYF{sub 5} nanocrystals prepared by a solvothermal method. X-ray Diffraction, Transmission Electron Microscopy and Energy Dispersive X-ray Spectroscopy measurements confirmed the distribution of BaYF{sub 5} nanocrystals in the glass matrix, presenting a cubic phase structure with space group Fm-3m. In order to achieve a further structural characterization, the luminescence properties of the Eu{sup 3+} and Sm{sup 3+} dopants were also used as sensitive probes. The reduction in the emission intensities of hypersensitive transitions {sup 5}D{sub 0} → {sup 7}F{sub 2} and {sup 4}G{sub 5/2} → {sup 6}H{sub 9/2} for Eu{sup 3+} and Sm{sup 3+} ions respectively, along with time-resolved measurements, confirm the distribution of a significant fraction of RE ions into the fluoride nanocrystal environment. These results suggest that BaYF{sub 5} nano-glass–ceramics doped with Eu{sup 3+} or Sm{sup 3+} can be considered as potential red-emitting phosphors for the development of white LEDs under near UV excitation.

  15. Thermoelectric properties of V{sub 2}O{sub 5} thin films deposited by thermal evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Santos, R.; Loureiro, J., E-mail: joa.loureiro@gmail.com; Nogueira, A.; Elangovan, E.; Pinto, J.V.; Veiga, J.P.; Busani, T.; Fortunato, E.; Martins, R.; Ferreira, I., E-mail: imf@fct.unl.pt

    2013-10-01

    This work reports the structural, optical, electrical and thermoelectric properties of vanadium pentoxide (V{sub 2}O{sub 5}) thin films deposited at room temperature by thermal evaporation on Corning glass substrates. A post-deposition thermal treatment up to 973 K under atmospheric conditions induces the crystallization of the as-deposited amorphous films with an orthorhombic V{sub 2}O{sub 5} phase with grain sizes around 26 nm. As the annealing temperature rises up to 773 K the electrical conductivity increases. The films exhibit thermoelectric properties with a maximum Seebeck coefficient of −218 μV/K and electrical conductivity of 5.5 (Ω m){sup −1}. All the films show NIR-Vis optical transmittance above 60% and optical band gap of 2.8 eV.

  16. Growth and characterization of V{sub 2}O{sub 5} nanorods deposited by spray pyrolysis at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Abd-Alghafour, N. M., E-mail: na2013bil@gmail.com; Ahmed, Naser M., E-mail: nas-tiji@yahoo.com; Hassan, Zai. [Iraqi Ministry of Education, Anbar-Iraq (Iraq); Mohammad, Sabah M. [Nano-Optoelectronics Research and Technology Laboratory School of Physics, university sains Malaysia, 11800 Penang (Malaysia); Bououdina, M. [Nanotechnology Centre, University of Bahrain, PO Box 32038, Kingdom of Bahrain Department of Physics, College of Science, University of Bahrain, PO Box 32038, Kingdom of Bahrain, Iraqi Ministry of Education (Bahrain)

    2016-07-06

    Vanadium pentoxide (V{sub 2}O{sub 5}) nanorods were deposited by spray pyrolysis on preheated glass substrates at low temperatures. The influence of substrate temperature on the crystallization of V{sub 2}O{sub 5} has been investigated. X-ray diffraction analysis (XRD) revealed that the films deposited at T{sub sub} = 300°C were orthorhombic structures with preferential along (001) direction. Formation of nanorods from substrate surface which led to the formation of films with small-sized and rod-shaped nanostructure is observed by field scanning electron microscopy. Optical transmittance in the visible range increases to reach a maximum value of about 80% for a substrate temperature of 350°C. PL spectra reveal one main broad peak centered around 540 nm with high intensity.

  17. High-rate nano-crystalline Li{sub 4}Ti{sub 5}O{sub 12} attached on carbon nano-fibers for hybrid supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Naoi, Katsuhiko; Isobe, Yusaku; Aoyagi, Shintaro [Institute of Symbiotic Science and Technology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8558 (Japan); Ishimoto, Shuichi [Institute of Symbiotic Science and Technology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8558 (Japan); Nippon Chemi-Con Corporation, 363 Arakawa, Takahagi-shi, Ibaraki 318-8505 (Japan)

    2010-09-15

    A lithium titanate (Li{sub 4}Ti{sub 5}O{sub 12})-based electrode which can operate at unusually high current density (300 C) was developed as negative electrode for hybrid capacitors. The high-rate Li{sub 4}Ti{sub 5}O{sub 12} electrode has a unique nano-structure consisting of unusually small nano-crystalline Li{sub 4}Ti{sub 5}O{sub 12} (ca. 5-20 nm) grafted onto carbon nano-fiber anchors (nc-Li{sub 4}Ti{sub 5}O{sub 12}/CNF). This nano-structured nc-Li{sub 4}Ti{sub 5}O{sub 12}/CNF composite are prepared by simple sol-gel method under ultra-centrifugal force (65,000 N) followed by instantaneous annealing at 900 C for 3 min. A model hybrid capacitor cell consisting of a negative nc-Li{sub 4}Ti{sub 5}O{sub 12}/CNF composite electrode and a positive activated carbon electrode showed high energy density of 40 Wh L{sup -1} and high power density of 7.5 kW L{sup -1} comparable to conventional EDLCs. (author)

  18. Heteroepitaxial growth of Fe{sub 2}Al{sub 5} inhibition layer in hot-dip galvanizing of an interstitial-free steel

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Kuang-Kuo [Department of Materials and Optoelectronic Science, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan (China); Chang, Liuwen, E-mail: lwchang@mail.nsysu.edu.t [Department of Materials and Optoelectronic Science, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan (China); Gan, Dershin; Wang, Hung-Ping [Department of Materials and Optoelectronic Science, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan (China)

    2010-02-01

    This work presents characterization results on inhibition layers formed on a TiNb-stabilized interstitial-free steel after short time galvanizing. The Fe-Al and steel interface was free from oxide, so that the Fe-Al intermetallic compound could directly nucleate on ferrite grains. Electron diffraction performed in a transmission electron microscope showed that only Fe{sub 2}Al{sub 5} was formed and it had a well-defined orientation relationship of [110]{sub Fe(sub/2)Al(sub/5)}// [111]{sub Fe}, (001){sub Fe(sub/2)Al(sub/5)}//(011){sub Fe} and (110){sub Fe(sub/2)Al(sub/5)}//(211){sub Fe} with Fe substrate. The structure of the interfaces between Fe{sub 2}Al{sub 5} and Fe is discussed. The epitaxially nucleated Fe{sub 2}Al{sub 5} grains on Fe substrate had very small grain size, 20 nm or less, and several variants were intimately mixed. The grains grew rapidly to hundreds of nanometers toward the Zn side.

  19. Photoluminescence properties of a novel red phosphor Sr{sub 3}Ga{sub 2}O{sub 5}Cl{sub 2}:Eu{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhonghua; Hu, Yihua; Zhang, Shaoan; Lin, Jun [Guangdong University of Technology, School of Physics and Optoelectronic Engineering, Guangzhou (China)

    2016-02-15

    Eu{sup 3+}-doped Sr{sub 3}Ga{sub 2}O{sub 5}Cl{sub 2} phosphors were synthesized successfully via a two-step solid-state reaction method. Phase purity and morphology of the phosphor were confirmed by XRD and SEM techniques. In the excitation spectra of Sr{sub 3}Ga{sub 2}O{sub 5}Cl{sub 2}:Eu{sup 3+} phosphor, the broad excitation band centering at 310 nm is due to the combination of charge transfer from Eu{sup 3+}→O{sup 2-} and host absorption. And it matches well the emission wavelength from UV LEDs. Sr{sub 3}Ga{sub 2}O{sub 5}Cl{sub 2}:Eu{sup 3+} phosphors show a bright orange-red luminescence under excitation with 301 nm. However, concentration quenching of Eu{sup 3+} in Sr{sub 3}Ga{sub 2}O{sub 5}Cl{sub 2}:Eu{sup 3+} occurs at a low content of 0.07 in this work. The quenching mechanism of Sr{sub 3}Ga{sub 2}O{sub 5}Cl{sub 2}:Eu{sup 3+} was discussed in detail on the basis of the experimental results. (orig.)

  20. Nanoscale morphology of Ni{sub 50}Ti{sub 45}Cu{sub 5} nanoglass

    Energy Technology Data Exchange (ETDEWEB)

    Śniadecki, Z., E-mail: sniadecki@ifmpan.poznan.pl [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Wang, D. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Karlsruhe Nano Micro Facility, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Ivanisenko, Yu. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Chakravadhanula, V.S.K. [Karlsruhe Nano Micro Facility, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Helmholtz Institute Ulm, Helmholtzstraße 11, 89081, Ulm (Germany); Joint Research Laboratory Nanomaterials (KIT-TUD), Institute of Materials Science, TU Darmstadt, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany); Kübel, C. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Karlsruhe Nano Micro Facility, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Hahn, H. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Joint Research Laboratory Nanomaterials (KIT-TUD), Institute of Materials Science, TU Darmstadt, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany); Nanjing University of Science and Technology, Herbert Gleiter Institute of Nanoscience, Building 340, Nanjing, Jiangsu 2 10094 (China); and others

    2016-03-15

    Nanoglasses are noncrystalline solids with a granular nano-/microstructure. In contrast to their nanocrystalline analogs, typically constituted of grains and grain boundaries, nanoglasses consist of glassy regions with a structure corresponding to melt-quenched glasses and amorphous interfaces characterized by a reduced density. Their unique properties can be controlled by modifying size and chemical composition of the granular and interfacial regions. Ni{sub 50}Ti{sub 45}Cu{sub 5} amorphous films were obtained by magnetron sputtering and analyzed to determine their nanoscale morphology and the formation mechanisms. The nanoglasses were noted to have a hierarchical nano-columnar structure with the smallest Ni-rich (Ni:Ti ratio of ca. 5:3) amorphous columns with diameters of about 8 nm and Ti-rich glassy interfacial regions with a substantially lower density. The results were obtained utilizing X-ray diffraction and different microscopic methods, e.g., atomic force microscopy and transmission electron microscopy. A detailed analysis indicates the complexity of the formation mechanisms of topologically and chemically distinguishable structural units with curvature driven surface diffusion, surface mobility, self-shadowing and internal stresses as the most important parameters. Common and simple synthesis method and the possibility for easy modification of the morphology and, consequently, the physical properties offer an opportunity for intensive studies of this new class of materials, opening the way towards possible applications. - Highlights: • Ni{sub 50}Ti{sub 45}Cu{sub 5} thin film nanoglasses were synthesized by magnetron sputtering. • Ti amorphous interfacial phase with reduced density is observed. • Stabilization of interfaces by specific local thermodynamic conditions.

  1. Preparation of ultrafine iron particles by chemical vapor deposition of Fe(CO) sub 5. Fe(CO) sub 5 wo gebryo to suru kiso kagaku hanno ni yoru tetsuchobiryushi no seisei

    Energy Technology Data Exchange (ETDEWEB)

    Sawada, Y; Kageyama, Y. (Mitsubishi Petrochemical Co. Ltd., Tokyo (Japan)): Iwata, M. (Nagoya University, Nagoya (Japan). Faculty of Engineering)

    1991-11-10

    An ultrafine iron particle preparing process was developed, which wses gaseous phase pyrolysis in magnetic field of iron pentacarbonyl, Fe(CO){sub 5}, based on the fact that Fe(CO){sub 5} has peculiar characters that its boiling point is as low as 103{degree}C, and starts decomposing in a low temperature zone of 100{degree}C or lower. Vaporizing and introducing into a reactor an fe(CO){sub 5}, andPyrolyzing it at 200-600{degree}C while being diluted with nitrogen and applied with a magnetic field produced uitrafine iron particles of a necklace-like chain comprisinh primary particles having diameter of 15 to 25 nm with 10 to 40 of them linked in a straight chain. It was found that the specific surface area is 30-50 m{sup 2}/g, with the diameter converted from the specific surface area being relatively close to the average diameter obtained from TEM photograph, and that the particle has few pores. Magnetically the iron powder has a coercivity of 123-131 KA/m and a specific saturation magnetization of 120-140 Am{sup 2}/kg, and is expected to be applied as a high density magnetic recording medium. 5 refs.,8 figs., 3 tabs.

  2. 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

  3. Soft chemistry routes to transparent metal oxide thin films. The case of sol–gel synthesis and structural characterization of Ta{sub 2}O{sub 5} thin films from tantalum chloromethoxide

    Energy Technology Data Exchange (ETDEWEB)

    Epifani, Mauro, E-mail: mauro.epifani@le.imm.cnr.it [Istituto per la Microelettronica e i Microsistemi, IMM-CNR, Via Monteroni, 73100 Lecce (Italy); Zamani, Reza [Catalonia Institute for Energy Research, IREC c/Jardins de les Dones de Negre, 1, 08930-Sant Adria del Besos, Barcelona (Spain); Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, 08193 Bellaterra, CAT (Spain); Arbiol, Jordi [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, 08193 Bellaterra, CAT (Spain); Institucio Catalana de Recerca i Estudis Avançats, ICREA, 08010, Barcelona (Spain); Fabrega, Cristian; Andreu, Teresa [Catalonia Institute for Energy Research, IREC c/Jardins de les Dones de Negre, 1, 08930-Sant Adria del Besos, Barcelona (Spain); Pace, Giovanni Battista; Siciliano, Pietro [Istituto per la Microelettronica e i Microsistemi, IMM-CNR, Via Monteroni, 73100 Lecce (Italy); Morante, Joan R. [Catalonia Institute for Energy Research, IREC c/Jardins de les Dones de Negre, 1, 08930-Sant Adria del Besos, Barcelona (Spain); M2E-IN2UB-XaRMAE, Departament d’Electrònica, Universitat de Barcelona, C. Martí i Franquès 1, 08028 Barcelona, CAT (Spain)

    2014-03-31

    Ta{sub 2}O{sub 5} thin films were prepared by spin-coating methanol solutions of Ta chloromethoxide. It was prepared by reacting TaCl{sub 5} with methanol, followed by water addition (H{sub 2}O: Ta molar ratio was 16). Thin films were deposited by spin-coating onto SiO{sub 2}/Si substrates, followed by drying at 90 °C and heat-treatment up to 700 °C. The films were characterized by X-ray diffraction, transmission electron microscopy and field emission scanning electron microscopy. Crystallization was obtained only after heating at 700 °C, in the Ta{sub 2}O{sub 5} orthorhombic phase. The resulting films had a thickness of 100 nm. Their structure was constituted by porous crystals with size up to 50 nm, while the pores had a size of about 10 nm. The results demonstrated that TaCl{sub 5} is very convenient precursor for the wet chemical synthesis of Ta{sub 2}O{sub 5} thin films. - Highlights: • Development of convenient solution synthesis of Ta{sub 2}O{sub 5} thin films; • The precursor chemistry was established and related to the synthesis process; • Uniform films crystallized in the most stable orthorombic Ta{sub 2}O{sub 5} phase;.

  4. Effect of nickel seed layer on growth of α-V{sub 2}O{sub 5} nanostructured thin films

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Rabindar Kumar; Kant, Chandra; Kumar, Prabhat; Singh, Megha, E-mail: meghasingh-08@yahoo.com; Reddy, G. B. [Thin film Laboratory, Department of Physics, Indian Institute of Technology Delhi-110016 (India)

    2015-08-28

    In this communication, we reported the role of Ni seed layer on the growth of vanadium pentoxide (α-V{sub 2}O{sub 5}) nanostructured thin films (NSTs) using plasma assisted sublimation process (PASP). Two different substrates, simple glass substrate and the Ni coated glass substrate (Ni thickness ∼ 100 nm) are employing in the present work. The influence of seed layer on structural, morphological, and vibrational properties have been studied systematically. The structural analysis divulged that both films deposited on simple glass as well as on Ni coated glass shown purely orthorhombic phase, no other phases are detected. The morphological studies of V{sub 2}O{sub 5} film deposited on both substrates are carried out by SEM, revealed that features of V{sub 2}O{sub 5} NSTs is completely modified in presence of Ni seed layer and the film possessing the excellent growth of nanorods (NRs) on Ni coated glass rather than simple glass. The HRTEM analysis of NRs is performed at very high magnification, shows very fine fringe pattern, which confirmed the single crystalline nature of nanorods. The vibrational study of NRs is performed using micro-Raman spectroscopy, which strongly support the XRD observations.

  5. Effects of the substrate temperature on the properties of CuIn{sub 5}S{sub 8} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Gannouni, M., E-mail: gm_mounir@yahoo.fr [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs - ENIT BP 37, Le belvedere 1002-Tunis (Tunisia); Kanzari, M. [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs - ENIT BP 37, Le belvedere 1002-Tunis (Tunisia)

    2011-10-01

    Structural, optical and electrical properties of CuIn{sub 5}S{sub 8} thin films grown by thermal evaporation have been studied relating the effects of substrate heating conditions of these properties. The CuIn{sub 5}S{sub 8} thin films were carried out at substrate temperatures in the temperature range 100-300 deg. C. The effects of heated substrate on their physico-chemical properties were investigated using X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), optical transmission and hot probe method. X-ray diffraction revealed that the films are strong preferred orientation along the (3 1 1) plane upon substrate temperature 200 deg. C and amorphous for the substrate temperatures below 200 deg. C. No secondary phases are observed for all the films. The composition is greatly affected by heated substrate. From the optical transmission and reflection, an important absorption coefficient exceeds 10{sup 5} cm{sup -1} at 800 nm was found. As increasing the substrate temperature, the optical energy band gap decreases from 1.70 eV for the unheated films to 1.25 eV for the deposited films at 300 deg. C. It was found that CuIn{sub 5}S{sub 8} thin film is an n-type semiconductor at 250 deg. C.

  6. Preparation of high laser-induced damage threshold Ta{sub 2}O{sub 5} films

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Cheng, E-mail: xucheng@cumt.edu.cn [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou 221116 (China); Yi, Peng; Fan, Heliang; Qi, Jianwei; Yang, Shuai; Qiang, Yinghuai; Liu, Jiongtian [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou 221116 (China); Li, Dawei [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2014-08-01

    High laser-induced damage threshold (LIDT) Ta{sub 2}O{sub 5} films were prepared by the sol–gel method using TaCl{sub 5} as a new precursor. The optical properties, surface morphologies, chemical composition, absorption and LIDT of the films were investigated. The results showed that the transparent and homogenous Ta{sub 2}O{sub 5} films had small surface roughness, low absorption and high LIDT even with large number of layers. The maximum LIDT at 1064 nm and 12 ns of the films was 24.8 J/cm{sup 2}. The ion chromatograph and Fourier transform infrared spectrum were used to reveal the functions of the addition of H{sub 2}O{sub 2} in the sol formation. It was shown that H{sub 2}O{sub 2} had two important functions, which were the decrease of Cl element content and the rapid generation of tantalum oxide. The high LIDT achieved was mainly due to the nearly free of defects in the films.

  7. Molecular beam epitaxial growth of oriented and uniform Ge{sub 2}Sb{sub 2}Te{sub 5} nanoparticles with compact dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Beining; Sun, Yu; Wu, Jie; Yuan, Long; Wu, Xiaofeng; Huang, Keke; Feng, Shouhua, E-mail: shfeng@jlu.edu.cn [Jilin University, State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry (China)

    2017-02-15

    The scaling-down of phase change memory cell is critical to achieve high-performance and high-density memory devices. Herein, we report that Ge{sub 2}Sb{sub 2}Te{sub 5} nanoparticles along the [1 1 1] direction were synthesized without templates or etching in a molecular beam epitaxy system. Under non-stoichiometric Ge:Sb:Te beam ratio condition, the growth of high-density Ge{sub 2}Sb{sub 2}Te{sub 5} nanoparticles was achieved by Zn-doping. The average diameter of the nanoparticles is 8 nm, and the full width at half maximum of the size distribution is 2.7 nm. Our results suggest that the size and shape modifications of Ge{sub 2}Sb{sub 2}Te{sub 5} nanoparticles could be induced by Zn-doping which influences the nucleation in the growth process. In addition, the bonding states of Zn and Te verified by X-ray photoelectron spectroscopy proved that Zn atoms located in the Ge{sub 2}Sb{sub 2}Te{sub 5} matrix. This approach exemplified here can be applied to the sub-20 nm phase change memory devices and may also be extendable to be served in the design and development of more materials with phase transitions.

  8. Influence of Sm{sup 3+} substitution on the mutiferroic effect in NdCrTiO{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Qian, X.L., E-mail: xiaolongqian@shu.edu.cn [Materials Genome Institute, Shanghai University, Shanghai 200444 (China); Department of Physics, Shanghai University, Shanghai 200444 (China); Fang, Y.F.; Kang, J.; Cao, S.X. [Materials Genome Institute, Shanghai University, Shanghai 200444 (China); Department of Physics, Shanghai University, Shanghai 200444 (China); Zhang, J.C., E-mail: jczhang@shu.edu.cn [Materials Genome Institute, Shanghai University, Shanghai 200444 (China); Department of Physics, Shanghai University, Shanghai 200444 (China)

    2016-08-15

    The effects of Sm{sup 3+} substitution on the magnetic and electric properties of NdCrTiO{sub 5} are investigated by magnetization and polarization measurements. X-ray diffraction patterns confirm that our samples are single phase with an orthorhombic crystal structure in the space group of Pbam. The DC magnetization study at an external field of 0.1 T reveals the variation of the anti-ferromagnetic transition temperature. The disappearance of the ferroelectricity–paraelectricity phase transition in Nd{sub 0.5}Sm{sub 0.5}CrTiO{sub 5} indicates the suppression on the linear magnetoelectric coupling by Sm{sup 3+}. The disparate 3d−4f interactions between Sm and Cr potentially affect the mutiferroic effect in this system.

  9. Photocatalytic hydrogen production using visible-light-responsive Ta{sub 3}N{sub 5} photocatalyst supported on monodisperse spherical SiO{sub 2} particulates

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoming [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 (Saudi Arabia); School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Zhao, Lan [Advanced Nanofabrication, Imaging and Characterization Core Lab, King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 (Saudi Arabia); Domen, Kazunari [Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Takanabe, Kazuhiro, E-mail: kazuhiro.takanabe@kaust.edu.sa [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 (Saudi Arabia)

    2014-01-01

    Graphical abstract: A simple and effective sol–gel process followed by nitridation in an NH{sub 3} flow has been developed to deposit Ta{sub 3}N{sub 5} semiconductor photocatalyst layers onto monodisperse spherical SiO{sub 2} particles. The obtained Ta{sub 3}N{sub 5}/SiO{sub 2} particles maintain an original spherical morphology of SiO{sub 2} and a sub-micrometer size with a narrow size distribution and without aggregation. The presence of SiO{sub 2} support shows at least no detrimental effects on photocatalytic activity, but tunes the secondary particle size to control dispersibility of the photocatalyst in the solution. - Highlights: • Fine nanoparticles of Ta{sub 3}N{sub 5} were immobilized on the surfaces of SiO{sub 2} giving SiO{sub 2}@Ta{sub 3}N{sub 5} core–shell spheres successfully produced H{sub 2} from methanol solution under visible light. • The presence of support (SiO{sub 2}) ensures the dispersion of the particulate in solution maintaining high photocatalytic activity of Ta{sub 3}N{sub 5}. • The obtained supported photocatalyst gives uniform size distribution and control the degree of dispersibility in the solution, which may control nature of light absorption and reflection of the photoreactor. - Abstract: Fine nanoparticles of Ta{sub 3}N{sub 5} (10–20 nm) were synthesized on the surfaces of SiO{sub 2} spheres with a diameter of ∼550 nm. A sol–gel method was used to modify the surface of SiO{sub 2} with Ta{sub 2}O{sub 5} from TaCl{sub 5} dissolved in ethanol in the presence of citric acid and polyethylene glycol. The resulting oxide composites were treated in an NH{sub 3} flow at 1123 K to form core–shell structured Ta{sub 3}N{sub 5}/SiO{sub 2} sub-microspheres. The obtained samples were characterized using powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectra (EDX), transmission electron microscopy (TEM), and

  10. 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.

  11. Solid-state synthesis of Li{sub 4}Ti{sub 5}O{sub 12} for high power lithium ion battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Han, Seung-Woo [School of Materials Science and Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Ryu, Ji Heon [Graduate School of Knowledge-Based Technology and Energy, Korea Polytechnic University, Siheung 429-793 (Korea, Republic of); Jeong, Joayoung [Cell Precedence Development Group, Samsung SDI, Yongin 446-577 (Korea, Republic of); Yoon, Dang-Hyok, E-mail: dhyoon@ynu.ac.kr [School of Materials Science and Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of)

    2013-09-05

    Highlights: •High energy milling using 0.30 and 0.45 mm beads for Li{sub 4}Ti{sub 5}O{sub 12} synthesis. •Synthesis of 162 nm-sized pure Li{sub 4}Ti{sub 5}O{sub 12} by solid-state reaction. •Spray drying using fine starting materials to confer paste tackiness. •High capacity of 174 mAh/g and adequate rate properties for high power LIBs applications. -- Abstract: Li{sub 4}Ti{sub 5}O{sub 12} was synthesized by a solid-state reaction between Li{sub 2}CO{sub 3} and anatase TiO{sub 2} for applications to high power lithium ion batteries. The starting materials underwent 6 h of high energy milling using ZrO{sub 2} beads with two different sizes, 0.30 and 0.45 mm. The smaller ZrO{sub 2} beads resulted in finer starting materials. Spray drying was also performed on the 0.30 mm beads-treated particles to enhance the screen printability of a paste containing this powder. The finer starting materials showed a pure 162 nm-sized Li{sub 4}Ti{sub 5}O{sub 12} due to the decreased diffusion length for a solid-state reaction, whereas the 0.45 mm beads-treated starting materials resulted in a 242 nm-sized Li{sub 4}Ti{sub 5}O{sub 12} phase containing 2 wt.% of rutile TiO{sub 2} that had transformed from the anatase phase during heat treatment at 800 °C for 3 h. The finer Li{sub 4}Ti{sub 5}O{sub 12} showed higher charge capacity and better charge/discharge rates than the coarser particles, which highlights the importance of the primary particle size on the electrochemical properties of Li{sub 4}Ti{sub 5}O{sub 12} for high power applications. The fine Li{sub 4}Ti{sub 5}O{sub 12} particles had a discharge capacity of 174 mAh/g at 0.1 C and capacity retention of 80% at 10.0 C.

  12. NbF{sub 5} and TaF{sub 5}: Assignment of {sup 19}F NMR resonances and chemical bond analysis from GIPAW calculations

    Energy Technology Data Exchange (ETDEWEB)

    Biswal, Mamata, E-mail: Mamata.Biswal-Susanta_Kumar_Nayak.Etu@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Body, Monique, E-mail: monique.body@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Legein, Christophe, E-mail: christophe.legein@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Sadoc, Aymeric, E-mail: Aymeric.Sadoc@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Boucher, Florent, E-mail: Florent.Boucher@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France)

    2013-11-15

    The {sup 19}F isotropic chemical shifts (δ{sub iso}) of two isomorphic compounds, NbF{sub 5} and TaF{sub 5}, which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D {sup 19}F MAS NMR spectra. In parallel, the corresponding {sup 19}F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M{sub 4}F{sub 20}] units of NbF{sub 5} and TaF{sub 5} being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} is obtained, ensured by the linearity between experimental {sup 19}F δ{sub iso} values and calculated {sup 19}F isotropic chemical shielding σ{sub iso} values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF{sub 5}. The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the {sup 19}F NMR lines of NbF{sub 5}, distorted multiplets, arising from {sup 1}J-coupling and residual dipolar coupling between the {sup 19}F and {sup 93}Nb nuclei, were simulated yielding to values of {sup 93}Nb–{sup 19}F {sup 1}J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} allow establishing relationships between the {sup 19}F δ{sub iso} values, the nature of the fluorine atoms

  13. Influence of octanoic acid on SmCo{sub 5} nanoflakes prepared by surfactant-assisted high-energy ball milling

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Liyun, E-mail: zheng@udel.ed [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); College of Electromechanical Engineering, Hebei University of Engineering, Handan, Hebei 056038 (China); Cui Baozhi; Akdogan, Nilay G.; Li Wanfeng; Hadjipanayis, George C. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States)

    2010-08-20

    High-energy ball milling (HEBM) of magnetically hard SmCo{sub 5} was conducted in heptane with octanoic acid as the surfactant. The effects of octanoic acid on the morphology and magnetic properties of the powders were investigated by scanning electron microscopy, X-ray diffraction and vibrating sample magnetometry. The results show an interesting unexpected fact that the SmCo{sub 5} powders processed by octanoic acid-assisted HEBM were in form of nanoflakes with aspect-ratio of 10{sup 2}-10{sup 3} without the presence of nanoparticles. The thickness of nanoflakes decreases with increasing milling time. X-ray diffraction patterns did not show the sign of oxidation and the diffraction peaks of SmCo{sub 5} were getting broader with the increase of milling time. The nanoflakes were magnetically anisotropic and had a higher coercivity than the micro-particles prepared by HEBM without surfactant. The coercivity of SmCo{sub 5} increased initially with the milling time and then it decreased after reaching the maximum value of 15.2 kOe. High-resolution transmission electron microscopy image showed that the SmCo{sub 5} nanoflakes are nanocrystalline with an average crystallite size approximately 12 nm.

  14. DFT insights into the electronic and optical properties of fluorine-doped monoclinic niobium pentoxide (B-Nb{sub 2}O{sub 5}:F)

    Energy Technology Data Exchange (ETDEWEB)

    El-Shazly, Tamer S.; Rehim, Sayed S.A. [Ain-Shams University, Chemistry Department, Faculty of Science, Cairo (Egypt); Hassan, Walid M.I. [Cairo University, Chemistry Department, Faculty of Science, Giza (Egypt); Allam, Nageh K. [American University in Cairo, Energy Materials Lab (EML), School of Sciences and Engineering, New Cairo (Egypt)

    2016-09-15

    We report on the effect of fluorine doping on the electronic structure and optical properties of monoclinic niobium pentoxide (B-Nb{sub 2}O{sub 5}) as revealed by the first principles calculations. Density functional theory (DFT) along with generalized gradient approximation (GGA) at the revised Perdew-Burke-Ernzerhof (PBEsol) exchange-correlation functional was used in this study. The band calculations revealed that the studied materials are indirect bandgap semiconductors, with bandgap energies of 2.67 and 2.28 eV for the undoped and F-doped B-Nb{sub 2}O{sub 5}, respectively. Upon doping B-Nb{sub 2}O{sub 5}, the Fermi level shifts towards the conduction band, allowing optical absorption in the visible region with enhanced transmittance in the wavelength range 400-1000 nm. The calculated static refractive index of the undoped B-Nb{sub 2}O{sub 5} is in good agreement with the reported experimental value, which is enhanced upon F-incorporation resulting in cladding properties for the F-doped B-Nb{sub 2}O{sub 5}. Also, the effective mass of free charge carriers increased upon F-doping. The enhanced properties were attributed to the effect of the excessive valent electron of the incorporated F atom. (orig.)

  15. 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

  16. LiCa{sub 3}Si{sub 2}N{sub 5} - A Lithium nitridosilicate with a [Si{sub 2}N{sub 5}]{sup 7-} double-chain

    Energy Technology Data Exchange (ETDEWEB)

    Lupart, Saskia; Schnick, Wolfgang [Department Chemie, Lehrstuhl fuer Anorganische Festkoerperchemie, Ludwig-Maximilians-Universitaet Muenchen (Germany)

    2012-10-15

    The lithium nitridosilicate LiCa{sub 3}Si{sub 2}N{sub 5} was synthesized by the reaction of calcium with Si(NH){sub 2} and Li{sub 3}N in weld shut tantalum ampoules at 900 C. The structure of LiCa{sub 3}Si{sub 2}N{sub 5} [space group C2/c, no. 15, a = 5.1454(10), b = 20.380(4), c = 10.357(2) Aa, β = 91.24(3) , wR{sub 2} = 0.1084, 863 data, 102 parameters] consists of [Si{sub 2}N{sub 5}]{sup 7-} double-chains including edge-sharing tetrahedra. The lithium atoms in the crystal structure are situated in strands along the crystallographic b axis. Lattice energy calculations (MAPLE) and EDX measurements confirmed the electrostatic bonding interactions and the chemical composition. The {sup 29}Si and {sup 7}Li solid-state MAS NMR spectroscopic investigations are reported. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Effect of Fe substitution on the structure and magnetocaloric effect of Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y.W.; Yan, J.L., E-mail: yjl@gxu.edu.cn; Feng, E.L.; Tang, G.W.; Zhou, K.W.

    2017-01-15

    The structure and magnetocaloric effect of Mn{sub 5−x}Fe{sub x}GeSi{sub 2} compounds were studied. Analysis of X-ray powder diffraction and energy dispersive X-Ray spectroscopy revealed that Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys with x<1 crystallize in the Mn{sub 5}Si{sub 3}-type structure (space group P6{sub 3}/mcm), maintaining the structure of Mn{sub 5}Ge{sub 3}; and alloys with x=1.5 and 2 consist of the major Mn{sub 5}Si{sub 3}-type phase and the minor Ni{sub 2}In-type phase (space group P6{sub 3}/mmc). The results of Rietveld refinement showed that the cell parameters for the Mn{sub 5}Si{sub 3}-type phase decrease with increasing Fe content. The positive slopes in Arrott plots indicate that a second-order ferromagnetic to paramagnetic transition occurs. The Curie temperature increases with increasing Fe content from 182 K for x=0.6 to 224 K for x=2. The maximum magnetic entropy change of 3.7 J/(kg K) for x=0.8 was found under a magnetic field change of 0–20 kOe. - Highlights: • Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys with x<1 crystallize in the hexagonal Mn{sub 5}Si{sub 3}-type structure. Alloys with x=1.5 and 2 consist of a major Mn{sub 5}Si{sub 3}-type phase and a secondary Ni{sub 2}In-type phase. • The cell parameters decrease and the Curie temperature increases with increasing x in Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys. • The maximum -∆S{sub M} of 3.7 J/(kg K) and RCP of 211 J/kg for x=0.8 was found under a magnetic field change of 0–20 kOe.

  18. Study on the depth profile analysis of Fe/Co intermixing in [SmCo{sub 5}/Fe]{sub 11} magnetic multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Saravanan, P., E-mail: psdrdo@gmail.com [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India); Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Hsu, Jen-Hwa, E-mail: jhhsu@phys.ntu.edu.tw [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Perumal, A.; Gayen, Anabil [Department of Physics, Indian Institute of Technology Guwahati, Guwahati 781039 (India); Reddy, G.L.N.; Kumar, Sanjiv [National Centre for Compositional Characterization of Materials, Bhabha Atomic Research Centre, ECIL Post, Hyderabad 500062 (India); Kamat, S.V. [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India)

    2014-09-01

    Multilayer films were sputtered on Si (1 0 0) substrate by following a layer sequence of Cr (10 nm)/[Fe (4 nm)/SmCo{sub 5} (20 nm)]{sub 11}/Cr (90 nm) at room temperature and subsequently, subjected to two-stage annealing. The phase composition, the extent of inter-diffusion at the SmCo{sub 5}/Fe interfaces and the magnetic properties of multilayered samples were investigated by X-ray diffraction (XRD), RBS and super-conducting quantum interference device (SQUID), respectively. The XRD studies showed the crystallization of SmCo{sub 5}-phase in the hard layer along with a bcc-Fe (Co)-phase in the soft layer, while the RBS depth profile analysis revealed the changes that occur in the effective Fe-layer thickness and diffused Co-content as minimal for the Fe-layer index, n{sub Fe}≤5. A single-phase behavior associated with strong in-plane anisotropy was evidenced with the SQUID measurements. The observed remanence enhancement (1020 kA/m) and energy product value (286 kJ/m{sup 3}) in these multilayers are discussed in the context of Fe-layer thickness and diffused Co-content.

  19. Effect of iron doping on the magnetic properties of TbMn{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Han, T.-C. [Center for Condensed Matter Sciences, National Taiwan University, Taipei 106, Taiwan (China)]. E-mail: taichun_han@yahoo.com.tw; Lin, Jauyn Grace [Center for Condensed Matter Sciences, National Taiwan University, Taipei 106, Taiwan (China) and Center for Nanostorage Research, National Taiwan University, Taipei 106, Taiwan (China)]. E-mail: jglin@ccms.ntu.edu.tw

    2007-03-15

    We synthesized a series of TbFe{sub x}Mn{sub 2-x}O{sub 5} (0{<=}x{<=}0.2) samples and studied the effect of the Fe-doping on their magnetic properties. X-ray diffraction patterns indicate a pure orthorhombic structure with space group Pbam for all the samples. Based on the data of temperature- and field-dependent magnetization, M(T) and M(H) curves, it is found that the magnetic moment enhances with increase in the Fe-content in TbMn{sub 2}O{sub 5}. With increase in the Fe-content from 0 to 0.2, the magnetic moment increases progressively from 0.014 to 0.030 {mu} {sub Bohr} p.f.u. at room temperature (RT). Particularly for the TbFe{sub 0.2}Mn{sub 1.8}O{sub 5} sample, a current-voltage curve displays a nonlinear behavior at RT. If a strong coupling between magnetic moment and electric polarization exists, the Fe-doped sample may have a higher polarization/ferroelectric effect, which should be a great advantage for the future application of the spintronics devices.

  20. Investigation of the transport properties and compositions of the Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} series (RE=Pr, Sm, Gd, Dy; Pn=Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, Scott [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Yuan, Fang [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); 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 L8S 4M1 (Canada)

    2016-10-15

    The Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases (RE=Pr, Sm, Gd, Dy; Pn=Sb, Bi) were successfully prepared from high temperature reactions at 1225–1300 °C. These phases maintain the same structure types as the parent RE{sub 9}Pn{sub 5}O{sub 5} phases, except for a Ca/RE mixing. The study and preparation of these phases was motivated by the desire to shift the metallic type properties of the parent RE{sub 9}Pn{sub 5}O{sub 5} phases to a level more suitable for thermoelectric applications. Electrical resistivity measurements performed on pure, bulk samples indicated all phases to be narrow band gap semiconductors or semimetals, supporting the charge balanced electron count of the Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} composition. Unfortunately, all samples are too electrically resistive for any potential usage as thermoelectrics. Electronic band structure calculations performed on idealized RE{sub 9}Pn{sub 5}O{sub 5} structures revealed the presence of a pseudogap at the Fermi level, which is consistent with the observed electrical resistivity and Seebeck coefficient behavior. - Graphical abstract: Ca substitution in RE{sub 9}Pn{sub 5}O{sub 5} leads to charge-balanced Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases with semiconducting or semimetallic properties. - Highlights: • The RE{sub 9}Pn{sub 5}O{sub 5} structure may be stabilized with calcium substitution in the form of Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5}. • The Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases maintain the parent P 4/n structure, albeit with Ca/RE mixing. • The Ca{sub 2}RE{sub 7}Sb{sub 5}O{sub 5} phases behave as semiconductors while Ca{sub 2}RE{sub 7}Bi{sub 5}O{sub 5} are semimetals with electron-electron correlations. • Electronic structure calculations yield a semimetal-like density of states for both Ca{sub 2}RE{sub 7}Sb{sub 5}O{sub 5} and Ca{sub 2}RE{sub 7}Bi{sub 5}O{sub 5}.

  1. Theoretical study of fabrication of line-and-space patterns with 7 nm quarter-pitch using electron beam lithography with chemically amplified resist process: III. Post exposure baking on quartz substrates

    Science.gov (United States)

    Kozawa, Takahiro

    2015-09-01

    Electron beam (EB) lithography is a key technology for the fabrication of photomasks for ArF immersion and extreme ultraviolet (EUV) lithography and molds for nanoimprint lithography. In this study, the temporal change in the chemical gradient of line-and-space patterns with a 7 nm quarter-pitch (7 nm space width and 21 nm line width) was calculated until it became constant, independently of postexposure baking (PEB) time, to clarify the feasibility of single nano patterning on quartz substrates using EB lithography with chemically amplified resist processes. When the quencher diffusion constant is the same as the acid diffusion constant, the maximum chemical gradient of the line-and-space pattern with a 7 nm quarter-pitch did not differ much from that with a 14 nm half-pitch under the condition described above. Also, from the viewpoint of process control, a low quencher diffusion constant is considered to be preferable for the fabrication of line-and-space patterns with a 7 nm quarter-pitch on quartz substrates.

  2. Melt sonoquenching: an affective process to obtain new hybrid material and achieve enhanced electrochromic performances based on V{sub 2}O{sub 5}/2,4,5-tris(1-methyl- 4-pyridinium)-imidazolide tetrafluoroborate nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Renato S. de; Goulart, Juliana da S.; Miranda, Fabio S.; Ponzio, Eduardo A., E-mail: eaponzio@vm.uff.br [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Instituto de Quimica

    2014-03-15

    Hybrid electrochromic materials are a very important class of compounds, because they enable new and/or better optical and electrochemical properties to be unfolded. This paper reports the synthesis of the new V{sub 2}O{sub 5}.1.26H{sub 2}O([C{sub 3}N{sub 2}(C{sub 6}H{sub 7}N){sub 3}]){sub 0.07} using the combination of two traditional methods, melting quenching and sonochemistry. The new material was characterized by several methods in order to verify the physical and chemical characteristics and its possible use as an electrochromic electrode. The organic guest provokes an interlayer spacing decrease of the inorganic matrix and the electrostatic interaction between the oxo groups of the V{sub 2}O{sub 5} matrix and the pyridinium rings of the organic guest demonstrate a strong interaction. The new hybrid nanostructure presented good reversibility and cyclability during 50 cycles, electrochromic efficiency of 22 cm{sup 2} C{sup -1} (410 nm) and 96 % color retention after 50 cycles of color changing. (author)'.

  3. Molecular CsF{sub 5} and CsF{sub 2}{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Rogachev, Andrey Yu. [Illinois Institute of Technology, IL (United States). Dept. of Biological and Chemical Sciences; Miao, Mao-sheng [California State Univ., Northridge, CA (United States). Dept. of Chemistry and Biochemistry; Beijing Computational Science Research Center (China); Merino, Gabriel [Centro de Investigacion y de Estudios Avanzados, Unidad Merida (Mexico). Dept. de Fisica Aplicada; Hoffmann, Roald [Cornell Univ., Ithaca, NY (United States). Dept. of Chemistry and Chemical Biology

    2015-07-06

    D{sub 5h} star-like CsF{sub 5}, formally isoelectronic with known XeF{sub 5}{sup -} ion, is computed to be a local minimum on the potential energy surface of CsF{sub 5}, surrounded by reasonably large activation energies for its exothermic decomposition to CsF + 2F{sub 2}, or to CsF{sub 3} (three isomeric forms) + F{sub 2}, or for rearrangement to a significantly more stable isomer, a classical Cs{sup +} complex of F{sub 5}{sup -}. Similarly the CsF{sub 2}{sup +} ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.

  4. {sup 115}In NQR studies of CeRhIn{sub 5} and CeCoIn{sub 5} under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Kohori, Y. [Department of Physics, Faculty of Science, Chiba University, Chiba 263-8522 (Japan)]. E-mail: kohori@faculty.chiba-u.jp; Taira, H. [Graduate School of Science and Technonogy, Chiba University, Chiba 263-8522 (Japan); Fukazawa, H. [Graduate School of Science and Technonogy, Chiba University, Chiba 263-8522 (Japan); Kohara, T. [Graduate School of Material Science, University of Hyogo, Hyogo 678-1297 (Japan); Iwamoto, Y. [Division of Cargo and Transportation Science, Kobe University, Kobe 658-0022 (Japan); Matsumoto, T. [National Institite of Material Science, Tsukuba 305-0044 (Japan); Maple, M.B. [Department of Physics and Institute for Pure and Applied Physical Science, University of California, San Diego, La Jolla, CA 92093, USA (United States)

    2006-02-09

    We have carried out{sup 115}In nuclear quadrupole resonance (NQR) measurements in CeRhIn{sub 5} and CeCoIn{sub 5} under presure P. The nuclear spin-lattice relaxation rates, 1/T{sub 1}, of{sup 115}In indicated that the anisotropic superconductivity with line nodes occurred near an antiferromagnetic state. The application of P suppressed the antiferromagnetic, AF, spin fluctuations and moves the system away from the AF state to the non-magnetic Fermi liquid state. The P dependence of 1/T{sub 1} in the superconducting state of CeCoIn{sub 5} shows that the magnitude of the superconducting energy gap scales with its T{sub C} up to 3.0 GPa.

  5. Facile preparation, optical and electrochemical properties of layer-by-layer V{sub 2}O{sub 5} quadrate structures

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yifu, E-mail: yfzhang@dlut.edu.cn; Zheng, Jiqi; Wang, Qiushi; Hu, Tao; Tian, Fuping; Meng, Changgong

    2017-03-31

    Highlights: • Layer-by-layer V{sub 2}O{sub 5} structures self-assembly by quadrate sheets like “multilayer cake” were synthesized. • Carbon spheres is as the structure-directing reagent like adhesive to guide the formation of layer-by-layer structures. • UV–vis spectrum shows two major absorption bands at about 340 and 478 nm and PL spectrum exhibits the emission peak at 545 nm for V{sub 2}O{sub 5} layer-by-layer structures. • The electrochemical properties of layer-by-layer V{sub 2}O{sub 5} structures are significantly improved in organic electrolyte. - Abstract: Layer-by-layer V{sub 2}O{sub 5} structures self-assembly by quadrate sheets like “multilayer cake” were successfully synthesized using NH{sub 4}VO{sub 3} as the vanadium sources by a facile hydrothermal route and combination of the calcination. The structure and composition were characterized by field emission scanning electron microscopy, energy-dispersive X-ray spectrometer, X-ray powder diffraction, Raman and Fourier transform infrared spectroscopy. The optical properties of the as-obtained V{sub 2}O{sub 5} layer-by-layer structures were investigated by the Ultraviolet–visible spectroscopy and photoluminescence spectrum. The electrochemical properties of the as-obtained V{sub 2}O{sub 5} layer-by-layer structures as electrodes in supercapacitor device were measured by cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) both in the aqueous and organic electrolyte. The specific capacitance is 347 F g{sup −1} at 1 A g{sup −1} in organic electrolyte, which is improved by 46% compared with 238 F g{sup −1} in aqueous electrolyte. During the cycle performance, the specific capacitances of V{sub 2}O{sub 5} layer-by-layer structures after 100 cycles are 30% and 82% of the initial discharge capacity in the aqueous and organic electrolyte, respectively, indicating the cycle performance is significantly improved in organic electrolyte. Our results turn out that layer

  6. The 2s2p 4P0sub(5/2) - 2p24Psup(e)sub(5/2)-transition in O VI

    International Nuclear Information System (INIS)

    Sjoedin, R.; Pihl, J.; Hallin, R.; Lindskog, J.; Marelius, A.

    1976-03-01

    The Li-like doubly excited transitions 2s2p 4 P 0 sub(5/2) - 2p 2 4 Psup(e)sub(5/2) in O VI has been studied with the beam-foil technique. Oxygen ion beams with energies between 4.5 to 9 MeV were used. The wavelength of the transition was measured to 944.0+-0.5 A and the lifetime for the upper level 2p 2 4 Psup(e) was measured to be 0.51+-0.04 ns. (Auth.)

  7. Optimization of Nb{sub 2}O{sub 5}/Ag/Nb{sub 2}O{sub 5} multilayers as transparent composite electrode on flexible substrate with high figure of merit

    Energy Technology Data Exchange (ETDEWEB)

    Dhar, Aritra [Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Alford, T. L. [School for Engineering of Matter, Transport, and Energy, Arizona State University, Tempe, Arizona 85287 (United States)

    2012-11-15

    Different multilayer structures of Nb{sub 2}O{sub 5}/Ag/Nb{sub 2}O{sub 5} have been deposited onto flexible substrates by sputtering at room temperature to develop an indium free transparent composite electrode. The effect of Ag thickness on the electrical and optical properties of the multilayer stack has been studied in accordance with the Ag morphology. The critical thickness of Ag to form a continuous conducting layer is found to be 9.5 nm. A new conduction mechanism has been proposed to describe the conduction before and after the critical thickness. The effective Hall resistivity of the optimized films is as low as 6.44 Multiplication-Sign 10{sup -5} Ohm-Sign -cm with a carrier concentration and mobility of 7.4 Multiplication-Sign 10{sup 21} cm{sup -3} and 13.1 cm{sup 2} /V-s, respectively, at the critical Ag layer thickness. The multilayer stack has been optimized to obtain a sheet resistance of 7.2 Ohm-Sign /sq and an average optical transmittance of 86% at 550 nm without any substrate heating or post-annealing process. The Haacke figure of merit (FOM) has been calculated for the films, and the multilayer with a 9.5 nm thick Ag layer has the highest FOM at 31.5 Multiplication-Sign 10-3 {Omega}{sup -1}, which is one of the highest FOM values reported for TCE deposited at room temperature on a flexible substrate.

  8. Eu{sup 3+}/Tb{sup 3+} doped cubic BaGdF{sub 5} multifunctional nanophosphors: Multicolor tunable luminescence, energy transfer and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Li, Honglan; Liu, Guixia, E-mail: liuguixia22@163.com; Wang, Jinxian; Dong, Xiangting; Yu, Wensheng

    2017-06-15

    A series of BaGdF{sub 5}:Eu{sup 3+}/Tb{sup 3+} orange-green-yellow-white emitting nanophosphors (NPs) were successfully synthesized via hydrothermal method without assistance of any surfactant, catalyst, or template. The nanocrystals are in sphere-like morphology with an average size of approximately 46 nm. The quenching concentrations of Eu{sup 3+} and Tb{sup 3+} single doped BaGdF{sub 5} phosphors are 5.5% and 15%, respectively. The tunable color tone can be obtained in Eu{sup 3+} and Tb{sup 3+} co-doped BaGdF{sub 5} phosphors, the strong orange-white and green-yellow emissions can be seen in BaGdF{sub 5}:5.5%Eu{sup 3+}, y%Tb{sup 3+} and BaGdF{sub 5}:3.5%Tb{sup 3+}, x%Eu{sup 3+} phosphors, especially. More significantly, we realize the more standard white emission with a CIE chromaticity diagram point at (0.317, 0.321) and a lower correlated color temperature of 6979 K in the BaGdF{sub 5}: 5.5%Eu{sup 3+}, 4.5%Tb{sup 3+} sample. In addition, the energy transfer phenomenon from Tb{sup 3+} to Eu{sup 3+} ions is clearly observed in Tb{sup 3+}, Eu{sup 3+} co-doped BaGdF{sub 5} phosphors and the energy transfer efficiency can reach a maximum of 75%. Moreover, the as-prepared samples exhibit paramagnetic properties at room temperature. This type of multifunctional multicolor emitting nanophosphor has promising applications in the fields of full-color displays, biomedical science, MRI, and so on. - Graphical abstract: The cubic phase BaGdF{sub 5}:Eu{sup 3+}/Tb{sup 3+} sphere-like nanophosphors were prepared. Energy transfer mechanism, color-tunable emissions and magnetic properties of BaGdF{sub 5}:Eu{sup 3+}/Tb{sup 3+} have been studied, which could have promising applications in the fields of full-color displays, MRI and biomedical science, and so on.

  9. The spectral characteristics of Gd sub 2 SiO sub 5 :Eu sup 3 sup + in VUV-UV range

    CERN Document Server

    Chen Yong; Wei Ya Guang; Tao Ye

    2002-01-01

    Synchrotron radiation source was used to investigated the spectral characteristics of Gd sub 2 SiO sub 5 :Eu sup 3 sup + in VUV-UV range. The various energy transfers at room temperature and 10 K, including from host or Gd sup 3 sup + ions to Eu sup 3 sup + ions and transfer between Eu sup 3 sup + ions at two different lattice sites, were discussed. In addition the emission spectra under 186 nm and 276 nm excitation were compared from the view of quantum cutting. The results indicate that Gd sub 2 SiO sub 5 :Eu sup 3 sup + is a kind of material with potential high efficiency quantum cutting

  10. 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.

  11. (Pt{sub 1–x}Cu{sub x}){sub 3}Cu{sub 2}B and Pt{sub 9}Cu{sub 3}B{sub 5}, the first examples of copper platinum borides. Observation of superconductivity in a novel boron filled β-Mn-type compound

    Energy Technology Data Exchange (ETDEWEB)

    Salamakha, Leonid P. [Institute of Solid State Physics, TU Wien, A-1040 Wien (Austria); Sologub, Oksana, E-mail: oksana.sologub@univie.ac.at [Institute of Solid State Physics, TU Wien, A-1040 Wien (Austria); Stöger, Berthold [Institute of Chemical Technologies and Analytics, TU Wien, A-1040 Wien (Austria); Michor, Herwig; Bauer, Ernst [Institute of Solid State Physics, TU Wien, A-1040 Wien (Austria); Rogl, Peter F. [Institute of Physical Chemistry, University of Vienna, A-1090 Wien (Austria)

    2015-09-15

    New ternary copper platinum borides have been synthesized by arc melting of pure elements followed by annealing at 600 °C. The structures have been studied by X-ray single crystal and powder diffraction. (Pt{sub 1−x}Cu{sub x}){sub 3}Cu{sub 2}B (x=0.33) forms a B-filled β-Mn-type structure (space group P4{sub 1}32; a=0.6671(1) nm). Cu atoms are distributed preferentially on the 8c atom sites, whereas the 12d site is randomly occupied by Pt and Cu atoms (0.670(4) Pt±0.330(4) Cu). Boron is located in octahedral voids of the parent β-Mn-type structure. Pt{sub 9}Cu{sub 3}B{sub 5} (space group P-62m; a=0.9048(3) nm, c=0.2908(1) nm) adopts the Pt{sub 9}Zn{sub 3}B{sub 5–δ}-type structure. It has a columnar architecture along the short translation vector exhibiting three kinds of [Pt{sub 6}] trigonal prism columns (boron filled, boron semi-filled and empty) and Pt channels with a pentagonal cross section filled with Cu atoms. The striking structural feature is a [Pt{sub 6}] cluster in form of an empty trigonal prism at the origin of the unit cell, which is surrounded by coupled [BPt{sub 6}] and [Pt{sub 6}] trigonal prisms, rotated perpendicularly to the central one. There is no B–B contact as well as Cu–B contact in the structure. The relationships of Pt{sub 9}Cu{sub 3}B{sub 5} structure with the structure of Ti{sub 1+x}Os{sub 2−x}RuB{sub 2} as well as with the structure families of metal sulfides and aluminides have been elucidated. (Pt{sub 1–x}Cu{sub x}){sub 3}Cu{sub 2}B (x=0.3) (B-filled β-Mn-type structure) is a bulk superconductor with a transition temperature of about 2.06 K and an upper critical field μ{sub 0}H{sub C2}(0){sup WHH} of 1.2 T, whereas no superconducting transition has been observed up to 0.3 K in Pt{sub 9}Cu{sub 3}B{sub 5} (Pt{sub 9}Zn{sub 3}B{sub 5–δ}-type structure) from electrical resistivity measurements. - Highlights: • First two copper platinum borides, (Pt{sub 0.67}Cu{sub 0.33}){sub 3}Cu{sub 2}B and Pt{sub 9}Cu{sub 3}B{sub

  12. Study on luminescence and thermal stability of blue-emitting Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+}phosphor for application in InGaN-based LEDs

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jie; Zhang, Zhi-Ming [State Key Laboratory Base of Eco-chemical Engineering, Laboratory of Inorganic Synthesis and Applied Chemistry, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Wu, Zhan-Chao, E-mail: wuzhan_chao@163.com [State Key Laboratory Base of Eco-chemical Engineering, Laboratory of Inorganic Synthesis and Applied Chemistry, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Wang, Fang-Fang [State Key Laboratory Base of Eco-chemical Engineering, Laboratory of Inorganic Synthesis and Applied Chemistry, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Li, Zhen-Jiang, E-mail: zjli126@126.com [State Key Laboratory Base of Eco-chemical Engineering, College of Sino-German Science and Technology, Qingdao University of Science and Technology, 53 Zhengzhou Road, Qingdao 266042, Shandong (China)

    2017-07-15

    Highlights: • A blue phosphor Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} was prepared at low temperature of 800 °C. • The broad excitation band of the phosphor matches well with NUV LED chips. • The phosphor shows high color purity and good color stability. • A bright blue-emitting LED was fabricated with this phosphor on an InGaN chip. - Abstract: A series of blue-emitting phosphors Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} were synthesized by traditional high temperature solid-state reaction method. The micro-morphology and photoluminescence properties of the phosphors were investigated. The Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} phosphors exhibit broad excitation spectra ranging from 250 to 420 nm, and an intense asymmetric blue emission band peaking at 435 nm. Two different Eu{sup 2+} emission centers in Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} phosphors were confirmed via their fluorescence properties. The concentration quenching mechanism, fluorescence lifetime and thermal stability of Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} phosphors were studied in detail. The thermal stability can be improved obviously by anion substitution. The CIE chromaticity coordinates of Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} phosphors with different Eu{sup 2+}-doped concentrations were calculated. A blue light-emitting diode was fabricated by combination of a 370 nm InGaN chip and the prepared phosphor Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+}. The present work suggests that Sr{sub 5}(PO{sub 4}){sub 3}F: Eu{sup 2+} is a potential phosphor applied in InGaN-based LEDs.

  13. Dynamics of optical degradation on LiB{sub 3}O{sub 5}-crystal surfaces during SFG

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, Stefan; Andresen, Aenne; Imlau, Mirco [Department of Physics, University of Osnabrueck (Germany)

    2008-07-01

    We have investigated the phenomenon of optical degradation of LiB{sub 3}O{sub 5} single crystal surfaces during sum-frequency generation (SFG) of UV-light ({lambda}=355 nm) by a focused Q-switched Nd:YAG laser (f=20 kHz, {tau}{sub 1064}=10 ns, anti P{sub 1064}=1.5 W). The investigations were performed on timescales >100 h and UV-intensities below the light induced damage threshold of the crystals. The degradations were studied with optical and analytical methods. As a result we found a steady deposition of foreign material on the output crystal surface in the illuminated area. Here, XPS uncovered several foreign elements as Na,S,Si,Ca, C beside B and O depending on the composition of the ambient atmosphere during SFG. The temporal development of the degradation could be observed by measuring the beam profile behind the crystal. The beam divergence increased as a function of the deposition height, which led to a complex intensity profile in the far-field. Further illuminating lead to a catastrophic break-down of the surface and the beam profile. This is due to thermal damage originating from the UV-absorption of the deposited material. Three models for the deposition process are discussed: a) diffusion out of the LiB{sub 3}O{sub 5}-subsurface, b) deposition of atoms of the ambient atmosphere, c) chemical reactions of LiB{sub 3}O{sub 5}, water, and boric acid.

  14. Preparation and up-conversion luminescence of SrAlF{sub 5}:Yb{sup 3+}/Er{sup 3+} nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Jun [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Hua, Ruinian, E-mail: rnhua@dlnu.edu.cn [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Zhang, Wei; Feng, Zhiqing; Tang, Dongxin; Na, Liyan [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Chen, Baojiu, E-mail: chenmbj@sohu.com [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China)

    2014-03-05

    Graphical abstract: The SrAlF{sub 5} nanorods co-doped with various Yb{sup 3+}/Er{sup 3+} concentrations was synthetized via a microemulsion-hydrothermal process for the first time. It was found that the optimum doping concentration of Yb{sup 3+} and Er{sup 3+} in SrAlF{sub 5} matrix was about 4 mol%. Furthermore, the temperature effect of upconversion luminescence was investigated. It was also found that the post heat-treatment could greatly improve upconversion luminescence. Highlights: • SrAlF{sub 5}:Yb{sup 3+}/Er{sup 3+} nanorods were synthesized via a microemulsion-hydrothermal process. • Crystal structure and morphology were characterized by using XRD and FESEM. • The upconversion luminescence intensity depend on LD working current was studied. • The post heat-treatment could greatly improve upconversion luminescence. -- Abstract: Yb{sup 3+} and Er{sup 3+} co-doped SrAlF{sub 5} nanorods with average diameter of 35 nm and average length of 400 nm were synthesized via a microemulsion-hydrothermal process, and their crystal structure and morphology were characterized by using X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM), respectively. The optimum doping concentration of Yb{sup 3+}/Er{sup 3+} in SrAlF{sub 5} matrix was about 4 mol%. The upconversion luminescence intensity dependence on the laser diode (LD) working current was studied and the possible upconversion mechanism was analyzed. Furthermore, the temperature effect of upconversion luminescence was investigated. It was also found that the post heat-treatment could greatly improve upconversion luminescence.

  15. 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

  16. Nitration of toluene with N[sub 2]O[sub 5

    Energy Technology Data Exchange (ETDEWEB)

    Furukawa, Kikuo.; Yoshizawa, Fujiroku.; Akutsu, Yoshiaki.; Arai, Mitsuru.; Tamura, Masamitsu. (The University of Tokyo, Tokyo (Japan). School of Engineering)

    1999-06-30

    In order to clarify the mechanism of aromatic nitration with N[sub 2]O[sub 5], the nitration of toluene with N[sub 2]O[sub 5] in CCl[sub 4] was carried out and was investigated the yields of the products and the isomer distributions. As a result, the reaction should be very rapid and should involve a typical electrophilic substitution. Moreover, in order to investigate the effect of the solvent, the nitration of toluene with N[sub 2]O[sub 5] powder without CCl[sub 4] was also carried out. The nitration of toluene with N[sub 2]O[sub 5]/N[sub 2]O[sub 4] was also carried out, and the dependence of the isomer distribution and the ratio of produced nitrotoluenes on the ratio of N[sub 2]O[sub 5] was showed. As a result, it is suggested that N[sub 2]O[sub 5] should be dissociated homolytically in CCl[sub 4] and that the aromatic nitration with N[sub 2]O[sub 5] in CCl[sub 4] should proceed with NO[sub 3] as the initial attacking species. The thermal decomposition of N[sub 2]O[sub 5] over 25 degree C should produce a large amount of N[sub 2]O[sub 4](2NO[sub 2]), and the attack of NO[sub 2] on the intermediate [Ar(H)(ONO[sub 2])] should form the intermediates [AR(H)(ONO[sub 2])(H)(NO[sub 2])] following the specific isomer distributions. (author)

  17. Nitration of toluene with N{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Furukawa, Kikuo.; Yoshizawa, Fujiroku.; Akutsu, Yoshiaki.; Arai, Mitsuru.; Tamura, Masamitsu. [The University of Tokyo, Tokyo (Japan). School of Engineering

    1999-06-30

    In order to clarify the mechanism of aromatic nitration with N{sub 2}O{sub 5}, the nitration of toluene with N{sub 2}O{sub 5} in CCl{sub 4} was carried out and was investigated the yields of the products and the isomer distributions. As a result, the reaction should be very rapid and should involve a typical electrophilic substitution. Moreover, in order to investigate the effect of the solvent, the nitration of toluene with N{sub 2}O{sub 5} powder without CCl{sub 4} was also carried out. The nitration of toluene with N{sub 2}O{sub 5}/N{sub 2}O{sub 4} was also carried out, and the dependence of the isomer distribution and the ratio of produced nitrotoluenes on the ratio of N{sub 2}O{sub 5} was showed. As a result, it is suggested that N{sub 2}O{sub 5} should be dissociated homolytically in CCl{sub 4} and that the aromatic nitration with N{sub 2}O{sub 5} in CCl{sub 4} should proceed with NO{sub 3} as the initial attacking species. The thermal decomposition of N{sub 2}O{sub 5} over 25 degree C should produce a large amount of N{sub 2}O{sub 4}(2NO{sub 2}), and the attack of NO{sub 2} on the intermediate [Ar(H)(ONO{sub 2})] should form the intermediates [AR(H)(ONO{sub 2})(H)(NO{sub 2})] following the specific isomer distributions. (author)

  18. Highly active GaN-stabilized Ta{sub 3}N{sub 5} thin-film photoanode for solar water oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Miao; Hisatomi, Takashi; Sasaki, Yutaka; Nakabayashi, Mamiko; Shibata, Naoya; Nishiyama, Hiroshi; Katayama, Masao; Yamada, Taro; Domen, Kazunari [School of Engineering, the University of Tokyo (Japan); Japan Technological Research Association of Artificial Photosynthetic Chemical Process, Tokyo (Japan); Suzuki, Sayaka; Teshima, Katsuya [Faculty of Engineering, Shinshu University, Nagano (Japan)

    2017-04-18

    Ta{sub 3}N{sub 5} is a very promising photocatalyst for solar water splitting because of its wide spectrum solar energy utilization up to 600 nm and suitable energy band position straddling the water splitting redox reactions. However, its development has long been impeded by poor compatibility with electrolytes. Herein, we demonstrate a simple sputtering-nitridation process to fabricate high-performance Ta{sub 3}N{sub 5} film photoanodes owing to successful synthesis of the vital TaO{sub δ} precursors. An effective GaN coating strategy is developed to remarkably stabilize Ta{sub 3}N{sub 5} by forming a crystalline nitride-on-nitride structure with an improved nitride/electrolyte interface. A stable, high photocurrent density of 8 mA cm{sup -2} was obtained with a CoPi/GaN/Ta{sub 3}N{sub 5} photoanode at 1.2 V{sub RHE} under simulated sunlight, with O{sub 2} and H{sub 2} generated at a Faraday efficiency of unity over 12 h. Our vapor-phase deposition method can be used to fabricate high-performance (oxy)nitrides for practical photoelectrochemical applications. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Coatings synthesised by the pulsed laser ablation of a B{sub 4}C/W{sub 2}B{sub 5} ceramic composite

    Energy Technology Data Exchange (ETDEWEB)

    Tadadjeu Sokeng, I., E-mail: ifriky@tlabs.ac.za [Department of Electrical, Electronics and Computer Engineering, French South African Institute of Technology/Cape Peninsula University of Technology, Bellville campus, PO Box 1906, Bellville, 7530 (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, 7129, PO Box 722, Somerset West, Western Cape Province (South Africa); UNESCO-UNISA Africa Chair in Nanosciences/Nanotechnology, College of Graduate Studies, University of South Africa (UNISA), Muckleneuk Ridge, PO Box 392, Pretoria (South Africa); Ngom, B.D. [Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, 7129, PO Box 722, Somerset West, Western Cape Province (South Africa); UNESCO-UNISA Africa Chair in Nanosciences/Nanotechnology, College of Graduate Studies, University of South Africa (UNISA), Muckleneuk Ridge, PO Box 392, Pretoria (South Africa); Laboratoire de Photonique et de Nanofrabrication, Groupes de physique du Solide et Sciences des Matriaux (GPSSM), Facult des sciences et Techniques Universit Cheikh Anta Diop de Dakar (UCAD), B.P. 25114 Dakar, Fann Dakar (Senegal); Msimanga, M. [iThemba LABS Gauten, Private Bag 11, WITS 2050 Johannesburg (South Africa); Nuru, Z.Y.; Kotsedi, L.; Maaza, M. [Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, 7129, PO Box 722, Somerset West, Western Cape Province (South Africa); UNESCO-UNISA Africa Chair in Nanosciences/Nanotechnology, College of Graduate Studies, University of South Africa (UNISA), Muckleneuk Ridge, PO Box 392, Pretoria (South Africa); Van Zyl, R.R. [Department of Electrical, Electronics and Computer Engineering, French South African Institute of Technology/Cape Peninsula University of Technology, Bellville campus, PO Box 1906, Bellville, 7530 (South Africa)

    2015-10-30

    A pellet of B{sub 4}C/W{sub 2}B{sub 5} ceramic composite was characterised and subjected to pulsed laser ablation for the deposition of coatings on corning glass substrates. We reports an attempt to produce coatings from B{sub 4}C/W{sub 2}B{sub 5} by pulsed laser deposition (PLD). The thermal, electric and mechanical properties of B{sub 4}C/W{sub 2}B{sub 5} suggest that coatings synthesised from this composite can be used for space applications. The samples were characterised using X-ray Diffraction, Atomic Force Microscopy and Heavy Ion Elastic Recoil Detection Analysis. The characterisation of the samples deposited on soda lime corning glass showed that the laser energy used in this PLD was enough to obtain non amorphous coatings formed by some alteration of the tungsten carbide crystal lattice at room temperature, and that there was no stoichiometry transfer as would be expected from PLD. The coating also showed space applicable features worth investigating. - Highlights: • B{sub 4}C/W{sub 2}B{sub 5} ceramic composite was ablated for deposition on corning glass subtrates. • Non-amorphous coating was obtained at room temperature. • There was no stoichiometry transfer as would be expected from Pulsed Laser Deposition.

  20. Electrochemical characterization of melt spun AB{sub 5} alloys for metal hydride batteries

    Energy Technology Data Exchange (ETDEWEB)

    Brateng, Randi

    2003-05-01

    This thesis is part of a larger research project where two metal hydride forming AB{sub 5} type alloys have been investigated. A slightly non-stoichiometric alloy with mischmetal on A-site and nickel, cobalt, manganese and aluminium on B-site has been characterized. The composition of this material, which will be referred to as Mm(NiCoMnA1){sub 5.15}, is close to the normal battery composition. The other alloy characterized is LaNi{sub 5} based, where nickel is partly substituted with tin. This material will later be referred to as La(NiSn){sub 5}. These materials were produced by melt spinning to vary the cooling rate during solidification. The main purpose of the study has been to characterize the electrochemical properties related to battery performance. The production as well as the metallurgical and structural characterization of the materials were performed in another part of the project. For Mm(NiCoMnA1){sub 5.15} the unit cell volume was dependent on the cooling rate before heat treatment, while the unit cell volume was almost independent of the cooling rate for La(NiSn){sub 5}. For both alloy compositions, the electrochemical properties seemed to change with varying cooling rate. The desorption equilibrium potential, the discharge capacity when discharging at a low current and the deterioration rate were found to be reduced with decreasing unit cell volume and increased with increasing unit cell volume, before heat treatment of Mm(NiCoMnA1){sub 5.15}. The self discharge rate was observed to be inversely proportional to the unit cell volume for this material. For not heat treated La(NiSn){sub 5}, produced at different cooling rates, the desorption equilibrium potential decreased when the self discharge rate and the discharge capacity increased after cycling for 300 cycles. The deterioration rate decreased when the desorption equilibrium potential was reduced for La(NiSn){sub 5}. The electrochemical parameters both before and after heat treatment of La(NiSn){sub

  1. Fermiology of PuCoGa{sub 5} and of related Pu-115 compounds

    Energy Technology Data Exchange (ETDEWEB)

    Oppeneer, P.M. [Department of Physics, Box 530, Uppsala University, S-751 21 Uppsala (Sweden)], E-mail: peter.oppeneer@fysik.uu.se; Shick, A.B. [Institute of Physics, Academy of Sciences of the Czech Republic, CZ-18221 Prague (Czech Republic); Rusz, J. [Department of Electronic Structures, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, CZ-121 16 Prague 2 (Czech Republic); Lebegue, S. [Laboratoire de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques, CNRS-Universite Henri Poincare, B.P. 239, F-54506 Vandoeuvre-les-Nancy (France); Eriksson, O. [Department of Physics, Box 530, Uppsala University, S-751 21 Uppsala (Sweden)

    2007-10-11

    We report computational investigations of the electronic structures of the superconducting Pu-compounds PuCoGa{sub 5} as well as of the non-superconducting compounds PuFeGa{sub 5} and PuNiGa{sub 5}. To capture the localization behavior of the Pu 5f electrons, we apply two computational approaches, which are both rooted in the density-functional theory: the local spin-density approximation (LSDA) and the around mean field (AMF) LSDA+U approach. The latter is applicable to moderately localized 5f electrons while the former is applicable to delocalized 5f electrons. Our LSDA calculations show that the Fermi surfaces of the three Pu-115 compounds are sensitive to the amount of band filling, i.e., the number of electrons of the 3d element. Precisely at the electron filling corresponding to PuCoGa{sub 5} the Fermi surface has a particularly two-dimensional shape. AMF-LSDA+U calculations (with a Coulomb U of about 3 eV and exchange J of 0.6 eV) lead to a non-magnetic ground state for PuCoGa{sub 5}, in which the 5f states are shifted to a higher binding energy, in better agreement with photoemission data. The Fermi surface of PuCoGa{sub 5} computed with the AMF-LSDA+U approach is nonetheless rather two-dimensional and similar to the LSDA Fermi surface. The AMF-LSDA+U approach with a Coulomb U of {approx}3 eV would thus predict an electronic structure for PuCoGa{sub 5} in accord with several experimental data.

  2. Study of nonlinear optical absorption properties of V{sub 2}O{sub 5} nanoparticles in the femtosecond excitation regime

    Energy Technology Data Exchange (ETDEWEB)

    Molli, Muralikrishna; Bhat Kademane, Abhijit; Pradhan, Prabin; Sai Muthukumar, V. [Sri Sathya Sai Institute of Higher Learning, Department of Physics, Puttaparthi, Andhra Pradesh (India)

    2016-08-15

    In this work, we report for the first time, the nonlinear optical absorption properties of vanadium pentoxide (V{sub 2}O{sub 5}) nanoparticles in the femtosecond excitation regime. V{sub 2}O{sub 5} nanoparticles were synthesized through solution combustion technique. The as-synthesized samples were further characterized using XRD, FESEM, EDAX, TEM and UV-visible spectroscopy. X-ray diffraction results revealed the crystalline nature of the nanoparticles. Electron microscopy studies showed the size of the nanoparticles to be ∝200 nm. Open-aperture z-scan technique was employed to study the nonlinear optical absorption behavior of the synthesized samples using a 100-fs laser pulses at 800 nm from a regeneratively amplified Ti: sapphire laser. The mechanism of nonlinear absorption was found to be a three-photon absorption process which was explained using the density of states of V{sub 2}O{sub 5} obtained using density functional theory. These nanoparticles exhibit strong intensity-dependent nonlinear optical absorption and hence could be considered for optical-power-limiting applications. (orig.)

  3. The complex structure of liquid Cu{sub 6}Sn{sub 5} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Qin Jingyu; Gu Tingkun; Bian Xiufang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Southern Campus, Jinan 250061 (China); Liu Hui [Shandong High Performance Computing Center, Shandong University, Southern Campus, Jinan 250061 (China)

    2009-04-15

    By applying ab initio molecular dynamics simulation to liquid Cu{sub 6}Sn{sub 5} alloy, the hetero-coordination tendency is discovered by Bathia-Thornton partial correlation functions and a chemical short-range parameter. However the local structural environment of Sn in l-Cu{sub 6}Sn{sub 5} alloy resembles that of liquid Sn by Voronoi analysis. A new feature, i.e. a subpeak in between the first and second peaks, is discovered by the present method which implies that topologically disordered {beta}-Sn-type structural units may exist in l-Cu{sub 6}Sn{sub 5} alloy. The local density states of electrons show that both Cu-Sn and Sn-Sn bonding exist in l-Cu{sub 6}Sn{sub 5} alloy. This work suggests that chemical short-range order between unlike atoms and self-coordination between Sn atoms coexists in l-Cu{sub 6}Sn{sub 5} alloy.

  4. Thermodynamic and neutron diffraction studies on multiferroic NdMn{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, S.; Balédent, V.; Auban-Senzier, P.; Pasquier, C.; Doubrovsky, C. [Laboratoire de Physique des Solides, Université Paris-Sud, CNRS-UMR 8502, 91405 Orsay (France); Greenblatt, M. [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ 08854 (United States); Foury-Leylekian, P., E-mail: pascale.foury@u-psud.fr [Laboratoire de Physique des Solides, Université Paris-Sud, CNRS-UMR 8502, 91405 Orsay (France)

    2015-03-01

    Magnetically frustrated RMn{sub 2}O{sub 5} oxides have attracted considerable attention in recent years, because most of the members of this family show spin ordering induced dielectric polarization along with strong magneto-electric coupling. Although the true origin of the ferroelectricity is still a matter of debate, it has been observed that the magneto-electric phase diagram can be substantially tuned with the variation of rare earth elements. In this work, we have chosen NdMn{sub 2}O{sub 5} as the compound of our interest since it lies exactly in between the ferroelectric and non-ferroelectric members of this family and also, because there are few investigations performed on RMn{sub 2}O{sub 5} systems with large rare earth atoms . With the combination of heat capacity, magnetic susceptibility, dielectric permittivity, powder X-ray diffraction, and powder neutron diffraction measurements, it has been found that NdMn{sub 2}O{sub 5} undergoes an incommensurate magnetic ordering around 30 K followed by a possible ferroelectric-like transition at ∼26 K. Another lock-in kind of magnetic transition appears when the temperature is decreased to ∼15 K. With further lowering of temperature, an antiferromagnetic ordering, which is presumably associated with the Nd{sup 3+}, is achieved near 4 K. This study thus sheds light on a new compound of the RMn{sub 2}O{sub 5} series presenting different multiferroic properties.

  5. Nitration of benzene with N{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Furukawa, Kikuo; Yoshizawa, FUjiroku; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu [The University of Tokyo, Tokyo (Japan). School of Engineering

    1999-08-31

    In order to clarify the mechanism of aromatic nitration with N{sub 2}O{sub 5}, the nitrations of benzene and of nitrobenzene with N{sub 2}O{sub 5} were carried out and the yield of the products and the isomer distribution of dinitrobenzenes were investigated. As a result, the isomer distribution of the dinitrobenzenes in the nitration of benzene was quite different from that in the nitration of nitrobenzene. Moreover, the ratio of [dinitrobenzenes]/[nitrobenzene] increased with the reaction temperature. The nitration of benzene with N{sub 2}O{sub 5}/N{sub 2}O{sub 4} was also carried out and showed the dependence of the ratio of [dinitrobenzenes]/[nitrobenzene] on the ratio of N{sub 2}O{sub 4}. As a result, it is suggested that N{sub 2}O{sub 5} should be dissociated homolytically in CCl{sub 4}, that the aromatic nitration with N{sub 2}O{sub 5} over 25 degree C should produce a large amount of N{sub 2}O{sub 4}(2NO{sub 2}) and the attack of NO{sub 2} on the intermediate [Ar(H)(ONO{sub 2})] should form the intermediates [Ar(H)(ONO{sub 2})(H)(NO{sub 2})] following the production of a large amount of dinitrobenzenes. (author)

  6. Uniform nanocrystalline AB{sub 5}-type hydrogen storage alloy: Preparation and properties as negative materials of Ni/MH battery

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Dongsheng; Li, Weishan; Hu, Shejun [Department of Chemistry, South China Normal University, 510631 (China); Xiao, Fangming; Tang, Renheng [Guangzhou Institute for Nonferrous Metal Research, 510651 (China)

    2006-05-15

    AB{sub 5}-type nanocrystalline hydrogen storage alloy was prepared by a twin-roll process. X-ray diffraction (XRD), scanning electron microscope (SEM), pressure-composition isotherms (PCT), and charge-discharge cycling were used to characterize its performances. The alloy has a hexagonal CaCu{sub 5}-type structure and a uniform crystallite size of about 40nm. It shows good high-rate discharge ability (HRD). The initial discharge capacity of the alloy is high up to 312mAh/g, and its capacity loss is low, only about 20% after 400 cycles under 640mA/g. At the discharge current density of 2000mA/g, the high-rate discharge ability (HRD) is 90% and the discharge capacity 211mAh/g after 400 cycles, 85% of the initial capacity. (author)

  7. Preparation and properties of Nd{sup 3+}:SrAlF{sub 5} nanocrystals embedded fluorophosphate transparent glass-ceramic with long fluorescence lifetime

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Ruilin; Wang, Jinlong; Zhang, Liaolin; Liu, Chunxiao; Wei, Wei [Nanjing University of Posts and Telecommunications, School of Optoelectronic Engineering, Nanjing (China)

    2016-07-15

    Nd{sup 3+}:SrAlF{sub 5} nanocrystals embedded fluorophosphate glass-ceramics were prepared by the melt quenching and subsequent thermal treatment method. The formation of SrAlF{sub 5} nanocrystals in the glass was confirmed by X-ray diffraction and scanning electron microscope. The fluorescence intensity and lifetime of the glass-ceramics increased with the increase of size of nanocrystals. Importantly, by controlling growth of nanocrystals, an obvious enhancement of lifetime (725 μs) emerged in the glass-ceramics heat-treated at 510 C and the transmittance can reach to 72.2 % at 1049 nm. The enhanced fluorescence intensity and lifetime were ascribed to the comfortable local environment to the Nd{sup 3+} ion and scattering of the nanoparticle embedded into the glass matrix. (orig.)

  8. CsAg{sub 5}Te{sub 3}: a new metal-rich telluride with a unique tunnel structure

    Energy Technology Data Exchange (ETDEWEB)

    Jing, Li [Rutgers Univ., Camden, NJ (United States). Dept. of Chem.; Hongyou, Guo [Rutgers Univ., Camden, NJ (United States). Dept. of Chem.; Xiang, Zhang [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry; Kanatzidis, M G [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry

    1995-02-15

    The synthesis and structure of a new ternary silver telluride, CsAg{sub 5}Te{sub 3}, is described. The compound was prepared from a Cs{sub 2}Te-CaTe-Te flux but it can also be prepared from a direct combination of Cs{sub 2}Te and Ag{sub 2}Te under vacuum at 600 C. The crystal data for CsAg{sub 5}Te{sub 3} at 20 C (Mo K{alpha} radiation) are as follows: a=14.672(2) A and c=4.601(3) A; V=990.5(8) A{sup 3}; Z=4; D{sub calc}=7.075 g cm{sup -3}; space group, P4{sub 2} /mnm (No. 136); 2{theta}{sub max}=50 ; number of independent data collected, 572; number of data observed with I>3{sigma}(I), 267; number of variables, 32; {mu}=218.51 cm{sup -1}; extinction coefficient, 0.585x10{sup -7}; final R=0.040; R{sub w}=0.046; goodness of fit, 1.42. The compound features a new structure type with Cs{sup +}-filled, relatively large tunnels running through the lattice. The material is a semiconductor with a band gap of about 0.65 eV. ((orig.))

  9. Ge{sup 4+}, Eu{sup 3+}-codoped Y{sub 2}SiO{sub 5} as a novel red phosphor for white LED applications

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yan; Dong, Yuanyuan [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China); Wei, Bo [School of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500 (China); Xu, Jiayue

    2017-05-15

    The phosphors Y{sub 2}SiO{sub 5}: Ge{sup 4+}, Eu{sup 3+} were synthesized by solid state reaction method assisted by flux, and have been characterized by X-ray powder diffraction and fluorescence spectrometer. The results showed that the phosphors can be effectively excited by near-UV (394 nm), and the major peak is located at 611 nm ascribed to the electric-dipole {sup 5}D{sub 0} → {sup 7}F{sub 2} transition of Eu{sup 3+}, the critical quenching concentration of Eu{sup 3+} in the phosphor is determined to be 15 mol% and the critical transfer distance is calculated as 8.90 Aa. Co-doping Y{sub 2}SiO{sub 5}: Eu{sup 3+} with Ge{sup 4+} helps to improve the luminescence intensity and color purity. The red emission of the phosphor under 394 nm excitation shows a good chromaticity index (0.652, 0.347) compared to commercial red phosphors Y{sub 2}O{sub 2}S: Eu{sup 3+} (0.631, 0.350). The quantum efficiency of the Y{sub 2}Si{sub 0.97}O{sub 5}: 0.03Ge{sup 4+}, 0.15Eu{sup 3+}phosphor under 394 nm excitation is estimated to be 45.24%. It can be concluded that efficient red light emitting diodes were fabricated using Ge{sup 4+}, Eu{sup 3+} co-doped phosphor based on near ultraviolet(NUV) excited LED lights. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Probing the superconducting state of CeCoIn{sub 5} by quantum interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Foyevtsov, Oleksandr; Porrati, Fabrizio; Huth, Michael [Johann Wolfgang Goethe University, Frankfurt am Main (Germany)

    2011-07-01

    Josephson junction based structures provide a pathway to investigation of the superconducting state of unconventional superconductors. A superconducting quantum interference device (SQUID) structure was fabricated on micro-crystals of the heavy-fermion superconductor CeCoIn{sub 5}. Photo-lithography and ion beam milling/induced deposition were used to prepare the structure on a thin film of CeCoIn{sub 5} grown via molecular beam epitaxy. The interferometer was characterized with regard to the SQUID properties. The unconventional nature of superconducting state in CeCoIn{sub 5}, the implications of the normal-state electronic properties, as well as the weak-link characteristics of the SQUID structure itself lead to a wealth of different features in the I(V) and dI/dV(V) characteristics.

  11. Y{sub 3}Fe{sub 5}O{sub 12} nanoparticulate garnet ferrites: Comprehensive study on the synthesis and characterization fabricated by various routes

    Energy Technology Data Exchange (ETDEWEB)

    Niaz Akhtar, Majid, E-mail: majidniazakhtar@ciitlahore.edu.pk [Department of Physics, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Department of Mechanical and Materials Engineering, Faculty of Engineering and Built Environment, Universiti Kebangsaan Malaysia, 43600 Bangi,Selangor (Malaysia); Azhar Khan, Muhammad [Department of Physics, The Islamia University of Bahawalpur, 63100 (Pakistan); Ahmad, Mukhtar [Department of Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan); Murtaza, G. [Centre for Advanced Studies in Physics, G.C. University, Lahore (Pakistan); Raza, Rizwan; Shaukat, S.F.; Asif, M.H. [Department of Physics, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Nasir, Nadeem [Fundamental and Applied Sciences Department, National Textile University, Faisalabad (Pakistan); Abbas, Ghazanfar [Department of Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan); Nazir, M.S. [Department of Chemical Engineering, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Raza, M.R. [Department of Mechanical and Materials Engineering, Faculty of Engineering and Built Environment, Universiti Kebangsaan Malaysia, 43600 Bangi,Selangor (Malaysia)

    2014-11-15

    The effects of synthesis methods such as sol–gel (SG), self combustion (SC) and modified conventional mixed oxide (MCMO) on the structure, morphology and magnetic properties of the (Y{sub 3}Fe{sub 5}O{sub 12}) garnet ferrites have been studied in the present work. The samples of Y{sub 3}Fe{sub 5}O{sub 12} were sintered at 950 °C and 1150 °C (by SG and SC methods). For MCMO route the sintering was done at 1350 °C for 6 h. Synthesized samples prepared by various routes were investigated using X-ray diffraction (XRD) analysis, Field emission scanning electron microscopy (FESEM), Impedance network analyzer and transmission electron microscopy (TEM). The structural analysis reveals that the samples are of single phase structure and shows variations in the particle sizes and cells volumes, prepared by various routes. FESEM and TEM images depict that grain size increases with the increase of sintering temperature from 40 nm to 100 nm.Magnetic measurements reveal that garnet ferrite synthesized by sol gel method has high initial permeability (60.22) and low magnetic loss (0.0004) as compared to other garnet ferrite samples, which were synthesized by self combustion and MCMO methods. The M–H loops exhibit very low coercivity which enables the use of these materials in relays and switching devices fabrications. Thus, the garnet nanoferrites with low magnetic loss prepared by different methods may open new horizon for electronic industry for their use in high frequency applications. - Highlights: • Y{sub 3}Fe{sub 5}O{sub 12} garnet ferrites nanoparticles were synthesized by three different routes. • Impact of sintering temperature on the particle size of Y{sub 3}Fe{sub 5}O{sub 12} was evaluated. • The magnetic studies suggest the applications in relays and switching devices.

  12. Lithium insertion in V{sub 2}O{sub 5}, M{sub x}V{sub 2}O{sub 5} (M = Fe, Cr, Al, La) mixed oxides; Insertion du lithium dans les oxydes mixtes de V{sub 2}O{sub 5}, M{sub x}V{sub 2}O{sub 5} (M = Fe, Cr, Al, La)

    Energy Technology Data Exchange (ETDEWEB)

    Gregoire, G.; Pecquenard, B.; Baffier, N. [Centre National de la Recherche Scientifique (CNRS), 75 - Paris (France). Laboratoire de Chimie Appliquee de l`Etat Solide; Soudan, P.; Farcy, J.; Pereira-Ramos, J.P. [Centre National de la Recherche Scientifique (CNRS), 94 - Ivry-sur-Seine (France). Laboratoire d`Electrochimie Catalyse et Synthese Organique

    1996-12-31

    V{sub 2}O{sub 5} based compounds are interesting low potential materials for rechargeable cathodes of lithium electrochemical generators. However, the ionic conductivity and the reversibility of electrochemical cycling of V{sub 2}O{sub 5} are limited by the possibilities of lithium insertion. This work shows that the doping of vanadium pentoxide by a M{sup 3+} trivalent transition element (M Fe, Al, Cr or La) allows to intercalate a more important amount of lithium and to improve the behaviour of the material during cycling. These materials of M{sub 0.11}V{sub 2}O{sub 5.16} formula are obtained by sol-gel synthesis. the electrochemical study of the Fe compound has shown that it is a mixed oxide with a behaviour similar to V{sub 2}O{sub 5}. The maximum capacity is of about 2 F/mole in the case of Fe, Al and Cr compounds and of about 1.7 F/mole in the case of La. The structural evolution of the Fe compound has been followed during the chemical insertion of Li and the same succession of phases ({alpha}, {epsilon}, {delta} and {gamma}) is observed as in Li{sub x}V{sub 2}O{sub 5} compounds but with a delay. The occurrence of the {gamma} phase, in particular, which is involved in recharging problems is delayed thanks to the (Fe-O){sub n} chains perpendicular to the (V{sub 2}O{sub 5}){sub n} layers. Abstract only. (J.S.) 3 refs.

  13. Lithium insertion in V{sub 2}O{sub 5}, M{sub x}V{sub 2}O{sub 5} (M = Fe, Cr, Al, La) mixed oxides; Insertion du lithium dans les oxydes mixtes de V{sub 2}O{sub 5}, M{sub x}V{sub 2}O{sub 5} (M = Fe, Cr, Al, La)

    Energy Technology Data Exchange (ETDEWEB)

    Gregoire, G; Pecquenard, B; Baffier, N [Centre National de la Recherche Scientifique (CNRS), 75 - Paris (France). Laboratoire de Chimie Appliquee de l` Etat Solide; Soudan, P; Farcy, J; Pereira-Ramos, J P [Centre National de la Recherche Scientifique (CNRS), 94 - Ivry-sur-Seine (France). Laboratoire d` Electrochimie Catalyse et Synthese Organique

    1997-12-31

    V{sub 2}O{sub 5} based compounds are interesting low potential materials for rechargeable cathodes of lithium electrochemical generators. However, the ionic conductivity and the reversibility of electrochemical cycling of V{sub 2}O{sub 5} are limited by the possibilities of lithium insertion. This work shows that the doping of vanadium pentoxide by a M{sup 3+} trivalent transition element (M Fe, Al, Cr or La) allows to intercalate a more important amount of lithium and to improve the behaviour of the material during cycling. These materials of M{sub 0.11}V{sub 2}O{sub 5.16} formula are obtained by sol-gel synthesis. the electrochemical study of the Fe compound has shown that it is a mixed oxide with a behaviour similar to V{sub 2}O{sub 5}. The maximum capacity is of about 2 F/mole in the case of Fe, Al and Cr compounds and of about 1.7 F/mole in the case of La. The structural evolution of the Fe compound has been followed during the chemical insertion of Li and the same succession of phases ({alpha}, {epsilon}, {delta} and {gamma}) is observed as in Li{sub x}V{sub 2}O{sub 5} compounds but with a delay. The occurrence of the {gamma} phase, in particular, which is involved in recharging problems is delayed thanks to the (Fe-O){sub n} chains perpendicular to the (V{sub 2}O{sub 5}){sub n} layers. Abstract only. (J.S.) 3 refs.

  14. Influence of Si and N additions on structure and phase stability of Ge{sub 2}Sb{sub 2}Te{sub 5} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Koelpin, Helmut; Music, Denis; Mykhaylonka, Ruslan; Schneider, Jochen M [Materials Chemistry, RWTH Aachen University, D-52056 Aachen (Germany); Laptyeva, Galyna; Ghadimi, Reza; Richter, Silvia; Mayer, Joachim [Central Facility for Electron Microscopy, RWTH Aachen University, Ahornstrasse 55, D-52074 Aachen (Germany); Merget, Florian [Institute of Semiconductor Electronics, RWTH Aachen University, Sommerfeldstrasse 24, D-52074 Aachen (Germany)

    2009-10-28

    The influence of Si and N in Ge{sub 2}Sb{sub 2}Te{sub 5} (space group Fm3-barm) on structure and phase stability thereof was studied experimentally by thin film growth and characterization as well as theoretically by ab initio calculations. It was found that Si and N most probably accumulate in the amorphous matrix embedding Ge{sub 2}Sb{sub 2}Te{sub 5} grains. The incorporation of Si and N in these samples causes an increase of the crystallization temperature and the formation of finer grains. N is more efficient in increasing the crystallization temperature and in reducing the grain size than Si which can be understood based on the bonding analysis. The incorporation of both Si and N in Ge{sub 2}Sb{sub 2}Te{sub 5} is energetically unfavourable, leading to finer grains and larger crystallization temperatures. While in the case of Si additions no significant changes in bonding are observed, N additions appear to enable the formation of strong Te-N bonds in the amorphous matrix, which are shown to be almost twice as strong as the strongest bonds in unalloyed Ge{sub 2}Sb{sub 2}Te{sub 5}.

  15. Synthesis and properties of oxide /beta/-V/sub 2/O/sub 5/

    Energy Technology Data Exchange (ETDEWEB)

    Volkov, V L; Golovkin, B G; Fedyukov, A S; Zajnulin, Yu G

    1988-11-01

    Orthorhombic vanadium (5) oxide crystallizes in tetragonal syngony with elementary cell parameters: a=14.259+-0.006 and c=(12.576+-0.006) A, at 873 K temperature and pressure over 3.5 GPa. /beta/-V/sub 2/O/sub 5/ phase is stable up to 573 K under normal conditions. IR spectra and temperature dependence of /beta/-V/sub 2/O/sub 5/ electric conductivity are investigated. At temperatures over 458 K its electric conductivity is of inactivation character.

  16. Investigations of the R<sub>5(SixGe1-x)4 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>5Ge4 system has shown that, below the Neel temperature, TN = 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>5Ge4. A spin-reorientation transition is a possibility in Gd<sub>5Ge4, which is similar to the Tb<sub>5Ge4 case. Tb<sub>5Ge4 possesses the same Sm<sub>5Ge4-type crystallographic structure and the same magnetic space group as Gd<sub>5Ge4 does. The difference in magnetic structure is that Tb<sub>5Ge4 has a canted one but Gd<sub>5Ge4 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>5Ge4. The spin-reorientation transition in both Gd<sub>5Ge4 and Tb<sub>5Ge4 may arise from the competition between the magnetic anisotropy from the spin-orbit coupling of the conduction electrons and the dipolar interactions anisotropy.

  17. Magnetic properties and inhomogeneous phase transition in (Fe sub x Co sub 0 sub . sub 5 sub - sub x)Pt sub 0 sub . sub 5 films

    CERN Document Server

    Jang, P W; Na, J G; Lee, S R

    1999-01-01

    (Fe sub x Co sub 0 sub . sub 5 sub - sub x)Pt sub 0 sub . sub 5 ternary thin films were deposited on glass substrates by using a dc sputtering method at room temperature and were subsequently annealed at 700 .deg. C in a high vacuum. A high degree of the (111) preferred orientation could be obtained in all the as-deposited films and was not destroyed, even though post annealing. The CoPt and the FePt binary alloys were completely mixed and had a L1 sub o -type ordered structure, as confirmed by single (222) peaks and by the linear variation of the lattice constant a sub o. The ordered structure of the FePt alloy was thought to have formed from the disordered structure by an inhomogeneous process, which was confirmed by the asymmetric peak shapes. The lattice parameter a sub o varied linearly with the Fe content while the coercivity showed a minimum value at the equiatomic composition of the Fe and the Co atoms.

  18. Thermoelectric power measurements in Fe doped La sub 0 sub . sub 6 sub 5 Ca sub 0 sub . sub 3 sub 5 MnO sub 3

    CERN Document Server

    Aslam, A; Zubair, M; Akhtar, M J; Nadeem, M

    2002-01-01

    We report measurements of the thermoelectric power (TEP) on the La sub 0 sub . sub 6 sub 5 Ca sub 0 sub . sub 3 sub 5 Mn sub 1 sub - sub x Fe sub x O sub 3 system for 0.00 <= x <= 0.07. The ferromagnetic and metallic transition temperatures are lowered and the TEP shows an increasingly positive trend with the addition of Fe. We also observe a clear magnetic contribution that manifests itself as a peak in the TEP close to the critical temperature. The activation energies determined from the TEP are seen to be insensitive to the Fe content. The data are interpreted firstly as showing a decrease in the density of active holes, i.e. holes that can participate in the hopping process, with increasing Fe content. Secondly the data suggest the role of magnetic scattering due to the clusters formed by the antiferromagnetically coupled Fe. Abrupt changes in the variation of the TEP are observed at the concentration region x approx 0.04 consistent with the hole density variation and with previously reported transp...

  19. 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.

  20. Cr{sub 2}O{sub 5} as new cathode for rechargeable sodium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Xu-Yong; Chien, Po-Hsiu; Rose, Alyssa M.; Zheng, Jin [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States); Hung, Ivan; Gan, Zhehong [Centre of Interdisciplinary Magnetic Resonance, National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Tallahassee, FL 32310 (United States); Hu, Yan-Yan, E-mail: hu@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States); Centre of Interdisciplinary Magnetic Resonance, National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Tallahassee, FL 32310 (United States)

    2016-10-15

    Chromium oxide, Cr{sub 2}O{sub 5}, was synthesized by pyrolyzing CrO{sub 3} at 350 °C and employed as a new cathode in rechargeable sodium ion batteries. Cr{sub 2}O{sub 5}/Na rechargeable batteries delivered high specific capacities up to 310 mAh/g at a current density of C/16 (or 20 mA/g). High-resolution solid-state {sup 23}Na NMR both qualitatively and quantitatively revealed the reversible intercalation of Na ions into the bulk electrode and participation of Na ions in the formation of the solid-electrolyte interphase largely at low potentials. Amorphization of the electrode structure occurred during the first discharge revealed by both NMR and X-ray diffraction data. CrO{sub 3}-catalyzed electrolyte degradation and loss in electronic conductivity led to gradual capacity fading. The specific capacity stabilized at >120 mAh/g after 50 charge-discharge cycles. Further improvement in electrochemical performance is possible via electrode surface modification, polymer binder incorporation, or designs of new morphologies. - Graphical abstract: Electrochemical profile of a Cr{sub 2}O{sub 5}/Na battery cell and high-resolution solid-state {sup 23}Na MAS NMR spectrum of a Cr{sub 2}O{sub 5} electrode discharged to 2 V. - Highlights: • Cr{sub 2}O{sub 5} was synthesized and used as a new cathode in rechargeable Na ion batteries. • A high capacity of 310 mAh/g and an energy density of 564 Wh/kg were achieved. • High-resolution solid-state {sup 23}Na NMR was employed to follow the reaction mechanisms.

  1. Improving the Reliability and Modal Stability of High Power 870 nm AlGaAs CSP Laser Diodes for Applications to Free Space Communication Systems

    Science.gov (United States)

    Connolly, J. C.; Alphonse, G. A.; Carlin, D. B.; Ettenberg, M.

    1991-01-01

    The operating characteristics (power-current, beam divergence, etc.) and reliability assessment of high-power CSP lasers is discussed. The emission wavelength of these lasers was optimized at 860 to 880 nm. The operational characteristics of a new laser, the inverse channel substrate planar (ICSP) laser, grown by metalorganic chemical vapor deposition (MOCVD), is discussed and the reliability assessment of this laser is reported. The highlights of this study include a reduction in the threshold current value for the laser to 15 mA and a degradation rate of less than 2 kW/hr for the lasers operating at 60 mW of peak output power.

  2. Native oxide transport and removal during the atomic layer deposition of Ta{sub 2}O{sub 5} on InAs(100) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Henegar, Alex J.; Gougousi, Theodosia, E-mail: gougousi@umbc.edu [Department of Physics, UMBC, Baltimore, Maryland 21250 (United States)

    2016-05-15

    Atomic layer deposition (ALD) was used to deposit Ta{sub 2}O{sub 5} on etched and native oxide-covered InAs(100) using pentakis dimethyl amino tantalum and H{sub 2}O at 200–300 °C. The transport and removal of the native oxides during the ALD process was investigated using x-ray photoelectron spectroscopy (XPS). Depositions above 200 °C on etched surfaces protected the interface from reoxidation. On native oxide-covered surfaces, depositions resulted in enhanced native oxide removal at higher temperatures. The arsenic oxides were completely removed above 250 °C after 3 nm of film growth, but some of the As{sub 2}O{sub 3} remained in the film at lower temperatures. Angle-resolved and sputter depth profiling XPS confirmed indium and arsenic oxide migration into the Ta{sub 2}O{sub 5} film at deposition temperatures as low as 200 °C. Continuous removal of both arsenic and indium oxides was confirmed even after the deposition of several monolayers of a coalesced Ta{sub 2}O{sub 5} film, and it was demonstrated that native oxide transport is a prevalent component of the interface “clean-up” mechanism.

  3. Evaluation of sunlight induced structural changes and their effect on the photocatalytic activity of V{sub 2}O{sub 5} for the degradation of phenols

    Energy Technology Data Exchange (ETDEWEB)

    Aslam, M. [Centre of Excellence in Environmental Studies (CEES), King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Ismail, Iqbal M.I. [Centre of Excellence in Environmental Studies (CEES), King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Salah, Numan [Centre of Nanotechnology, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Chandrasekaran, S. [Centre of Excellence in Environmental Studies (CEES), King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Qamar, M.Tariq [Centre of Excellence in Environmental Studies (CEES), King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Hameed, A., E-mail: afmuhammad@kau.edu.sa [Centre of Excellence in Environmental Studies (CEES), King Abdulaziz University, Jeddah 21589 (Saudi Arabia); National Centre for Physics, Quaid-e-Azam University, Islamabad 44000 (Pakistan)

    2015-04-09

    Highlights: • The interaction of UV photons of sunlight induces defects in V{sub 2}O{sub 5}. • The photon induced defects promotes the trapping and transfer of excited electrons. • The nature of the substituent at 2-position affects the degradation process. • The formation of the intermediates is influenced by the nature of substituents. • The released ions are subjected further transformation. - Abstract: Despite knowing the fact that vanadium pentoxide is slightly soluble in aqueous medium, its photocatalytic activity was evaluated for the degradation of phenol and its derivatives (2-hydroxyphenol, 2-chlorophenol, 2-aminophenol and 2-nitrophenol) in natural sunlight exposure. The prime objective of the study was to differentiate between the homogeneous and heterogeneous photocatalysis incurred by dissolved and undissolved V{sub 2}O{sub 5} in natural sunlight exposure. V{sub 2}O{sub 5} was synthesized by chemical precipitation procedure using Triton X-100 as morphology mediator and characterized by DRS, PLS, Raman, FESEM and XRD. A lower solubility of ∼5% per 100 ml of water at 23 °C was observed after calcination at 600 °C. The study revealed no contribution of the dissolved V{sub 2}O{sub 5} in the photocatalytic process. In sunlight exposure, V{sub 2}O{sub 5} powder exhibited substantial activity for the degradation, however, a low mineralization of phenolic substrates was observed. The initial low activity of V{sub 2}O{sub 5} followed by a sharp increase both in degradation and mineralization in complete spectrum sunlight exposure, was further investigated that revealed the decrease in the bandgap and the reduction in the particle size with the interaction of UV photons (<420 nm) as this effect was not observable in the exposure of visible region of sunlight. The role of the chemically different substituents attached to an aromatic ring at 2-positions and the secondary interaction of released ions during the degradation process with the reactive

  4. 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.

  5. Y/Gd-free yellow Lu{sub 3}Al{sub 5}O{sub 12}:Ce{sup 3+} phosphor for white LEDs

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kwangwon [Department of Display Science and Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Kim, Taehoon; Yu, Youngmoon [LED-Marine Convergence Technology R& BD Center, Pukyong National University, Busan 608−739 (Korea, Republic of); Seo, Kwangil [L-Stone Co. Ltd., Bucheon 421−807 (Korea, Republic of); Kim, Jongsu, E-mail: jsukim@pknu.ac.kr [Department of Display Science and Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2016-05-15

    Solid solubility limit of Ce{sup 3+} ions into Lu-based garnet, Lu{sub 3(1−x)}Ce{sub 3x}Al{sub 5}O{sub 12}, was determined as below 6.7 mol% (3x<0.2 mol) through Raman spectra and X−ray diffraction patterns. Above the solid solubility limit (3x≥0.2 mol), Lu{sub 3(1−x)}Ce{sub 3x}Al{sub 5}O{sub 12} phosphors showed the significant redshift to the yellow spectral region without Y{sup 3+} and Gd{sup 3+} ions. The redshift was explained in terms of the local compressive strain at the Ce{sup 3+} sites. The optimized sample (3x=0.4 mol) had a dominant emission wavelength of 548 nm, color coordinate of CIEx=0.421, CIEy=0.548, quantum efficiency of 80%, absorbance of 91%, lumen maintenance of 90% and high color stability at 473 K under 450 nm excitation wavelength, suggesting substitutability for the commercial yellow (Y, Gd){sub 3}(Al, Ga){sub 5}O{sub 12}:Ce{sup 3+} phosphor. The measured decay times at higher Ce{sup 3+} concentration are significantly shortened at higher temperature than that of those at lower Ce{sup 3+} concentration. The yellow Lu{sub 2.6}Ce{sub 0.4}Al{sub 5}O{sub 12} and a commercial red (Sr, Ca)AlSiN{sub 3}:Eu{sup 2+} phosphor were applied to the pc-WLED, it gave an excellent luminous efficiency (138 lm/W) with a slightly lower color rendering index (Ra=76.4) under correlated color temperature of 6500 K compared to those of the (Y, Gd){sub 3}(Al, Ga){sub 5}O{sub 12}:Ce{sup 3+}-based one (136 lm/W, Ra=78.7). Especially, the quantities of the used phosphors were significantly decreased by 20% for the yellow LuAG:Ce and by 40% for the red (Sr, Ca)AlSiN{sub 3}:Eu{sup 2+}. Thus, the Y/Gd−free pure LuAG:Ce yellow phosphors can be used as alternative to the commercial yellow YAG:Ce phosphor.

  6. A first principles study of structural stability, electronic structure and mechanical properties of beryllium alanate BeAlH{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rajeswarapalanichamy@gmail.com; Priyanga, G. Sudha; Cinthia, A. Jemmy [Department of physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India); Kanagaprabha, S. [Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu 628003 (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai, Tamilnadu-603203 (India)

    2015-06-24

    Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of BeAlH{sub 5} for monoclinic crystal structures with two different types of space group namely P2{sub 1} and C{sub 2}/c. Among the considered structures monoclinic (P2{sub 1}) phase is found to be the most stable at ambient condition. The structural phase transition from monoclinic (P2{sub 1}) to monoclinic (C{sub 2}/c) phase is observed in BeAlH{sub 5}. The electronic structure reveals that this compound is insulator. The calculated elastic constants indicate that this material is mechanically stable at ambient condition.

  7. Tunable and stable single-longitudinal-mode dual-wavelength erbium fiber laser with 1.3 nm mode spacing output

    International Nuclear Information System (INIS)

    Yeh, C H; Shih, F Y; Wang, C H; Chow, C W; Chi, S

    2008-01-01

    In this investigation, we propose and investigate a stable and tunable dual-wavelength erbium-doped fiber (EDF) ring laser with self-injected Fabry-Perot laser diode (FP-LD) scheme. By using an FP-LD incorporated with a tunable bandpass filter (TBF) within the gain cavity, the fiber laser can lase at two single-longitudinal-mode (SLM) wavelengths simultaneously due to the self-injected operation. The proposed dual-wavelength laser has a good performance of the output power and optical side-mode suppression ratio (SMSR). The laser also shows a wide tuning range from 1523.08 to 1562.26 nm. Besides, the output stabilities of the fiber laser are also discussed

  8. Application of radiometric method to determine P/sub 2/O/sub 5/ at Verkhnekamsk phosphorite mine

    Energy Technology Data Exchange (ETDEWEB)

    Belyakov, M A; Terent' ev, E P; Anderzhanov, V N

    1981-01-01

    Correlations between P/sub 2/O/sub 5/ content and natural radioactivity in phosphorites of Vjatsko-Kamsk deposits and products of their enrichment, are considered. A scheme of an installation to conduct continuous radiometric control of P/sub 2/O/sub 5/ content in the pulp flow is presented. The results of the installation test at Verkhnekamsk phosphorite mine to control P/sub 2/O/sub 5/ content in the flow final rejects are given.

  9. Ellipsometry study of optical parameters of AgIn{sub 5}S{sub 8} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isik, Mehmet, E-mail: mehmet.isik@atilim.edu.tr [Department of Electrical and Electronics Engineering, Atilim University, 06836 Ankara (Turkey); Gasanly, Nizami [Department of Physics, Middle East Technical University, 06800 Ankara (Turkey); Virtual International Scientific Research Centre, Baku State University, 1148 Baku (Azerbaijan)

    2015-12-01

    AgIn{sub 5}S{sub 8} crystals grown by Bridgman method were characterized for optical properties by ellipsometry measurements. Spectral dependence of optical parameters; real and imaginary parts of the pseudodielectric function, pseudorefractive index, pseudoextinction coefficient, reflectivity and absorption coefficient were obtained from ellipsometry experiments carried out in the 1.2–6.2 eV range. Direct band gap energy of 1.84 eV was found from the analysis of absorption coefficient vs. photon energy. The oscillator energy, dispersion energy and zero-frequency refractive index, high-frequency dielectric constant values were found from the analysis of the experimental data using Wemple-DiDomenico and Spitzer-Fan models. Crystal structure and atomic composition ratio of the constituent elements in the AgIn{sub 5}S{sub 8} crystal were revealed from structural characterization techniques of X-ray diffraction and energy dispersive spectroscopy.

  10. High-resolution spectroscopy of jet-cooled CH{sub 5}{sup +}: Progress

    Energy Technology Data Exchange (ETDEWEB)

    Savage, C.; Dong, F.; Nesbitt, D. J. [JILA, University of Colorado and National Institute of Standards and Technology, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0440 (United States)

    2015-01-22

    Protonated methane (CH{sub 5}{sup +}) is thought to be a highly abundant molecular ion in interstellar medium, as well as a potentially bright μwave- mm wave emitter that could serve as a tracer for methane. This paper describes progress and first successful efforts to obtain a high resolution, supersonically cooled spectrum of CH{sub 5}{sup +} in the 2900-3100 cm{sup −1} region, formed in a slit supersonic discharge at low jet temperatures and with sub-Doppler resolution. Short term precision in frequency measurement (< 5 MHz on an hour time scale) is obtained from a thermally controlled optical transfer cavity servoloop locked onto a frequency stabilized HeNe laser. Long term precision (< 20 MHz day-to-day) due to pressure, temperature and humidity dependent index of refraction effects in the optical transfer cavity is also present and discussed.

  11. Formation of SmFe{sub 5}(0001) ordered alloy thin films on Cu(111) single-crystal underlayers

    Energy Technology Data Exchange (ETDEWEB)

    Yabuhara, Osamu; Ohtake, Mitsuru; Nukaga, Yuri; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: yabuhara@futamoto.elect.chuo-u.ac.j [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

    2010-01-01

    SmFe{sub 5}(0001) single-crystal thin films are prepared by molecular beam epitaxy employing Cu(111) single-crystal underlayers on MgO(111) substrates. The Cu atoms diffuse into the Sm-Fe layer and substitute the Fe sites in SmFe{sub 5} structure forming an alloy compound of Sm(Fe,Cu){sub 5}. The Sm(Fe,Cu){sub 5} film is more Cu enriched with increasing the substrate temperature. The Cu underlayer plays an important role in assisting the formation of the ordered phase.

  12. On tungstates of divalent cations (II). Polymorphy of Pb{sub 2}WO{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Jantz, Stephan G.; Dialer, Marwin; Hoeppe, Henning A. [Lehrstuhl fuer Festkoerperchemie, Universitaet Augsburg (Germany); Pielnhofer, Florian [Abteilung Nanochemie, Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2017-12-13

    The phase transition from the low temperature form Pb{sub 2}[WO{sub 5}] to its high temperature form Pb{sub 2}O[WO{sub 4}] was monitored by means of temperature dependent powder XRD. Single-crystals of Pb{sub 2}[WO{sub 5}], suitable for a structure determination by single-crystal X-ray diffraction, were obtained by quenching a sample from 500 C to room temperature. The low-temperature phase Pb{sub 2}[WO{sub 5}] comprises the structural motive of infinite zigzag chains built by cornersharing WO{sub 6} octahedra, known from the tungstates M{sub 2}[WO{sub 5}] (M = Sr, Ba), but crystallizes in a new structure type [C2/c, a = 14.0996(4) Aa, b = 5.8579(2) Aa, c = 12.6877(4) Aa, β = 114.3569(13) , Z = 8, R{sub int} = 0.042, R{sub 1} = 0.040, wR{sub 2} = 0.068]. The crystal structure of the high-temperature phase Pb{sub 2}O[WO{sub 4}] [C2/m, a = 14.2126(4) Aa, b = 5.80150(10) Aa, c = 7.3477(2) Aa, β = 113.9402(7) , Z = 4, R{sub 1} = 0.035, wR{sub 2} = 0.055] is revised, based on single-crystal XRD data. Furthermore spectroscopic data (IR, Raman and UV/Vis spectra) are presented. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Intrinsic radioactivity of KSr{sub 2}I{sub 5}:Eu{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Rust, M.; Melcher, C.; Lukosi, E., E-mail: elukosi@utk.edu

    2016-10-11

    A current need in nuclear security is an economical, yet high energy resolution (near 2%), scintillation detector suitable for gamma-ray spectroscopy. For current scintillators on the market, there is an inverse relationship between scintillator energy resolution and cost of production. A new promising scintillator, KSr{sub 2}I{sub 5}:Eu{sup 2+}, under development at the University of Tennessee, has achieved an energy resolution of 2.4% at 662 keV at room temperature, with potential growth rates exceeding several millimeters per hour. However, the internal background due to the {sup 40}K content could present a hurdle for effective source detection/identification in nuclear security applications. As a first step in addressing this question, this paper reports on a computational investigation of the intrinsic differential pulse height spectrum (DPHS) generated by {sup 40}K within the KSr{sub 2}I{sub 5}:Eu{sup 2+} scintillator as a function of crystal geometry. It was found that the DPHS remains relatively equal to a constant multiplicative factor of the negatron emission spectrum with a direct increase of the 1.46 MeV photopeak relative height to the negatron spectrum with volume. Further, peak pileup does not readily manifest itself for practical KSr{sub 2}I{sub 5}:Eu{sup 2+} volumes.

  14. Crystal field splitting in CePt{sub 5}. Magnetic analysis and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zinner, Martin; Praetorius, Christian; Fauth, Kai [Universitaet Wuerzburg, Experimentelle Physik II, 97074 Wuerzburg (Germany); Halbig, Benedikt; Bass, Utz; Geurts, Jean [Universitaet Wuerzburg, Experimentelle Physik III, 97074 Wuerzburg (Germany)

    2015-07-01

    The crystal electric field (CF) is an essential factor determining the paramagnetic response of rare earth ions in solids. In Ce intermetallics, Kondo screening can additionally modify the magnetic behavior and it may then prove difficult to disentangle the two. In the hexagonal surface intermetallic CePt{sub 5}, grown on Pt(111), we find two distinct sets of CF parameters which both account rather well for the anisotropic magnetic susceptibility and its temperature dependence. Different strengths of Kondo screening have to be assumed in the two cases in order to obtain quantitative agreement with experimental results. Discriminating between the two solutions requires an independent determination of the CF splitting. We shall report on our attempts to obtain this information from electronic Raman scattering. Raman signal is indeed even obtained from CePt{sub 5} specimens with a thickness of just two unit cells. We shall discuss the identification of electronic Raman losses by comparison with LaPt{sub 5} as well as the dependence of the Raman features on temperature and thickness of the intermetallic film.

  15. Strong red-emission of Eu{sup 3+}:Li{sub 4}Ti{sub 5}O{sub 12} powders for phosphor applications

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yan [Kazuo Inamori School of Engineering, New York State College of Ceramics, Alfred University, Alfred, NY 14802 (United States); Jiménez, José A. [Department of Chemistry, University of North Florida, Jacksonville, FL 32224 (United States); Wu, Yiquan, E-mail: wuy@alfred.edu [Kazuo Inamori School of Engineering, New York State College of Ceramics, Alfred University, Alfred, NY 14802 (United States)

    2016-08-15

    The synthesis and photoluminescence properties of trivalent europium doped lithium titanate (Eu{sup 3+}:Li{sub 4}Ti{sub 5}O{sub 12}) with different Eu{sup 3+} concentrations (0.1 mol%, 0.3 mol%, 1.0 mol%, 3.0 mol%) are reported and analyzed as a phosphor. Europium (III) nitrate (Eu(NO{sub 3}){sub 3}) was employed as Eu{sup 3+} source, while lithium acetate dihydrate (CH{sub 3}COOLi·2H{sub 2}O) and titanium n-butoxide (Ti(OC{sub 4}H{sub 9}){sub 4}) were adopted as raw materials to synthesize the host lithium titanate with a Li:Ti stoichiometry of 4.5:1. Phase identification was performed using X-ray diffraction (XRD), and morphology was examined using scanning electron microscopy (SEM). Eu{sup 3+}:Li{sub 4}Ti{sub 5}O{sub 12} powders showed strong red emission at 612 nm, corresponding to the {sup 5}D{sub 0}–{sup 7}F{sub 2} transition, with the strongest excitation peak observed in the blue light region at 464 nm. Decay time analyses revealed relatively short lifetimes accompanying typical exponential decay rates. The effect of Eu{sup 3+} concentration (0.1 mol%, 0.3 mol%, 1.0 mol%, 3.0 mol%) on photoluminescence intensity and decay time was explored, and is reported here. It was determined that the CIE color coordinates (0.66, 0.34) of the doped Li{sub 4}Ti{sub 5}O{sub 12} powders were independent of Eu{sup 3+} concentration, and that the coordinates are very similar to the ideal red chromaticity (0.67, 0.33) designated by the National Television Standard Committee (NTSC) system.

  16. Resist image quality control via acid diffusion constant and/or photodecomposable quencher concentration in the fabrication of 11 nm half-pitch line-and-space patterns using extreme-ultraviolet lithography

    Science.gov (United States)

    Kozawa, Takahiro; Santillan, Julius Joseph; Itani, Toshiro

    2018-05-01

    Extreme-ultraviolet (EUV) lithography will be applied to the high-volume production of semiconductor devices with 16 nm half-pitch resolution and is expected to be extended to that of devices with 11 nm half-pitch resolution. With the reduction in the feature sizes, the control of acid diffusion becomes a significant concern. In this study, the dependence of resist image quality on T PEB D acid and photodecomposable quencher concentration was investigated by the Monte Carlo method on the basis of the sensitization and reaction mechanisms of chemically amplified EUV resists. Here, T PEB and D acid are the postexposure baking (PEB) time and the acid diffusion constant, respectively. The resist image quality of 11 nm line-and-space patterns is discussed in terms of line edge roughness (LER) and stochastic defect generation. For the minimization of LER, it is necessary to design and control not only the photodecomposable quencher concentration but also T PEB D acid. In this case, D acid should be adjusted to be 0.3–1.5 nm2 s‑1 for a PEB time of 60 s with optimization of the balance among LER and stochastic pinching and bridging. Even if it is difficult to decrease D acid to the range of 0.3–1.5 nm2 s‑1, the image quality can still be controlled via only the photodecomposable quencher concentration, although LER and stochastic pinching and bridging are slightly increased. In this case, accurate control of the photodecomposable quencher concentration and the reduction in the initial standard deviation of the number of protected units are required.

  17. Determination and analysis of dispersive optical constants of CuIn{sub 3}S{sub 5} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Khemiri, N., E-mail: naoufel_khemiri@yahoo.f [Laboratoire de Photovoltaique et Materiaux Semiconducteurs-ENIT, Universite Tunis, ElManar BP 37, Le belvedere, 1002 Tunis (Tunisia); Sinaoui, A.; Kanzari, M. [Laboratoire de Photovoltaique et Materiaux Semiconducteurs-ENIT, Universite Tunis, ElManar BP 37, Le belvedere, 1002 Tunis (Tunisia)

    2011-04-15

    CuIn{sub 3}S{sub 5} thin films were prepared from powder by thermal evaporation under vacuum (10{sup -6} mbar) onto glass substrates. The glass substrates were heated from 30 to 200 {sup o}C. The films were characterized for their optical properties using optical measurement techniques (transmittance and reflectance). We have determined the energy and nature of the optical transitions of films. The optical constants of the deposited films were determined in the spectral range 300-1800 nm from the analysis of transmission and reflection data. The Swanepoel envelope method was employed on the interference fringes of transmittance patterns for the determination of variation of refractive index with wavelength. Wemple-Di Domenico single oscillator model was applied to determine the optical constants such as oscillator energy E{sub 0} and dispersion energy E{sub d} of the films deposited at different substrate temperatures. The electric free carrier susceptibility and the ratio of the carrier concentration to the effective mass were estimated according to the model of Spitzer and Fan.

  18. New Tl{sub 2}LaBr{sub 5}: Ce{sup 3+} crystal scintillator for γ-rays detection

    Energy Technology Data Exchange (ETDEWEB)

    Kim, H.J., E-mail: hongjoo@knu.ac.kr [Department of Physics, Kyungpook National University, Daegu 41566 (Korea, Republic of); Rooh, Gul [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); Khan, Arshad [Department of Physics, Kyungpook National University, Daegu 41566 (Korea, Republic of); Kim, Sunghwan [Department of Radiological Science, Cheongju University, Cheongju 41566 (Korea, Republic of)

    2017-03-21

    In this study we present our preliminary report on the scintillation properties of new Ce-doped Tl{sub 2}LaBr{sub 5} single crystal. Two zones vertical Bridgman technique is used for the growth of this compound. Pure and Ce-doped samples showed maximum emission peaks at 435 nm and 415 nm, respectively. Best light yield of 43,000±4300 ph/MeV with 6.3% (FWHM) energy resolution is obtained for 5% Ce-doped sample under γ-ray excitation. Single exponential decay time constant of 25 ns is observed for 5% Ce doped sample. Effective Z-number is found to be 67, therefore efficient detection of X- and γ-ray will be possible. Preliminary results revealed that this compound will be an ideal candidate for the medical imaging techniques. Further investigations are under way for the determination of optimized conditions of this compound. - Highlights: • Scintillation characterization of Tl{sub 2}LaBr{sub 5}: Ce{sup 3+} crystals are presented. • This material is grown by two zone vertical Bridgman technique. • It has high Z{sub eff} therefore, detection efficiency of γ-rays will be higher. • Energy resolution of 6.3% and light yield of 43,000±4300 ph/MeV are obtained. • Single exponential decay of 25 ns is observed under γ-ray excitation.

  19. Glass formation and properties of glasses in V/sub 2/O/sub 5/-B/sub 2/O/sub 3/-P/sub 2/O/sub 5/ system

    Energy Technology Data Exchange (ETDEWEB)

    Sedmale, G P; Vajvad, Ya A; Arkhipova, S E; Laukmanis, L A

    1987-01-01

    The glass formation in the system V/sub 2/O/sub 5/-B/sub 2/O/sub 3/-P/sub 2/O/sub 5/ and the properties of the obtained glasses have been studied by methods including that of the mathematical design and the treatment of the obtained data on ECM. The glass formation region is limited by the molar content of V/sub 2/O/sub 5/ 30-80%, B/sub 2/O/sub 3/ 0-45%, P/sub 2/O/sub 5/ 20-65%. The chemical stability data show that at the molar content of V/sub 2/O/sub 5/ 45-50% the transfer of vanadium from the state of the modificator to the glass-forming agent takes place. For the studied glasses the electron mechanism of conductivity is the dominating one.

  20. Dual Functions of Carbon in Li(sub4)Ti(sub5)O(sub12)/C Microspheres

    CSIR Research Space (South Africa)

    Wen, L

    2015-01-01

    Full Text Available Spinel Li(sub4)Ti(sub5)O(sub12) has become an alternative material to replace graphite anodes in terms of solving safety issues and improving battery life-time. Unfortunately, as Li(sub4)Ti(sub5)O(sub12) is an insulator, the low electrical...

  1. Oxonium ions substituting cesium ions in the structure of the new high-pressure borate HP-Cs{sub 1-x}(H{sub 3}O){sub x}B{sub 3}O{sub 5} (x=0.5-0.7)

    Energy Technology Data Exchange (ETDEWEB)

    Sohr, Gerhard; Heymann, Gunter; Wurst, Klaus; Huppertz, Hubert [Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universitaet Innsbruck (Austria); Neumair, Stephanie C. [Tyrolit Schleifmittelwerke Swarovski K.G., Schwaz (Austria); Schmedt auf der Guenne, Joern [Department fuer Chemie und Biologie, Universitaet Siegen (Germany)

    2014-04-07

    The new high-pressure borate HP-Cs{sub 1-x}(H{sub 3}O){sub x}B{sub 3}O{sub 5} (x=0.5-0.7) was synthesized under high-pressure/high-temperature conditions of 6 GPa/900 C in a Walker-type multianvil apparatus. The compound crystallizes in the monoclinic space group C2/c (Z=8) with the parameters a=1000.6(2), b=887.8(2), c=926.3(2) pm, β=103.1(1) , V=0.8016(3) nm{sup 3}, R1=0.0452, and wR2=0.0721 (all data). The boron-oxygen network is analogous to those of the compounds HP-MB{sub 3}O{sub 5}, (M=K, Rb) and exhibits all three structural motifs of borates - BO{sub 3} groups, corner-sharing BO{sub 4} tetrahedra, and edge-sharing BO{sub 4} tetrahedra - at the same time. Channels inside the boron-oxygen framework contain the cesium and oxonium ions, which are disordered on a specific site. Estimating the amount of hydrogen by solid-state NMR spectroscopy and X-ray diffraction led to the composition HP-Cs{sub 1-x}(H{sub 3}O){sub x}B{sub 3}O{sub 5} (x=0.5-0.7), which implies a nonzero phase width. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Rare earth-transition metal indides with Lu{sub 5}Ni{sub 2}In{sub 4}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Zaremba, Roman; Hermes, Wilfried; Eul, Matthias; Poettgen, Rainer [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany)

    2008-12-15

    New intermetallic compounds RE{sub 5}T{sub 2}In{sub 4} (RE = Sc, Y, La-Nd, Sm, Gd-Tm, Lu; T = Rh, Ir) were synthesized by arc-melting of the elements or by induction melting of the elements in tantalum crucibles under flowing argon. The samples were characterized by X-ray powder diffraction. They crystallize with the orthorhombic Lu{sub 5}Ni{sub 2}In{sub 4}-type structure, space group Pbam, Z = 2, a 2: 1 intergrowth variant of CsCl and AlB{sub 2} related slabs of compositions InRE{sub 8} (distorted cubes) and RhRE{sub 6} (distorted trigonal prisms). Susceptibility measurements of Ce{sub 5}Ir{sub 2}In{sub 4} have revealed modified Curie-Weiss behavior above 70 K with an experimental magnetic moment of 2.45(1) {mu}{sub B} / Ce atom. The cerium magnetic moments order ferri- or ferromagnetically at T{sub C} = 7.1(2) K. (orig.)

  3. Junction parameters and characterization of Au/n-Ge{sub 15}In{sub 5}Se{sub 80}/p-Si/Al heterojunction

    Energy Technology Data Exchange (ETDEWEB)

    El-Nahass, M.M.; El-Shazly, E.A.A. [Ain Shams University, Physics Department, Faculty of Education, Roxy, Cairo (Egypt); Ali, M.H. [Ain Shams University, Physics Department, Faculty of Science, Abassia, Cairo (Egypt); Zedan, I.T. [High Institute of Engineering and Technology, Basic Science Department, El-Arish, North Sinai (Egypt)

    2016-08-15

    The analysis of the electrical properties of Au/n-Ge{sub 15}In{sub 5}Se{sub 80}/p-Si/Al heterojunction is examined. I-V characteristics show diode-like behavior. The series resistance is found to decrease with increasing the temperature in three different methods of calculations. The thermionic emission mechanism is found to be the operating mechanism at relatively low forward voltages (V < 0.25). While, at relatively high forward voltage, the space charge limited conduction is the operating mechanism. The rectification ratio, ideality factor, barrier height, total trap concentration and built-in voltage are determined. The capacitance-voltage (C-V) characteristics of Au/n-Ge{sub 15}In{sub 5}Se{sub 80}/p-Si/Al heterojunction are also investigated. The I-V curve of the Au/n-Ge{sub 15}In{sub 5}Se{sub 80}/p-Si/Al heterojunction in the dark and after illumination is clarified. (orig.)

  4. Ga-Ga bonding and tunnel framework in the new Zintl phase Ba{sub 3}Ga{sub 4}Sb{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Park, S -M; Kim, S -J; Kanatzidis, M G

    2003-11-01

    A new Zintl phase Ba{sub 3}Ga{sub 4}Sb{sub 5} was obtained from the reaction of Ba and Sb in excess Ga flux at 1000 deg. C, and its structure was determined with single-crystal X-ray diffraction methods. It crystallizes in the orthorhombic space group Pnma (No. 62) with a=13.248(3) A, b=4.5085(9) A, c=24.374(5) A and Z=4. Ba{sub 3}Ga{sub 4}Sb{sub 5} has a three-dimensional [Ga{sub 4}Sb{sub 5}]{sup 6-} framework featuring large tunnels running along the b-axis and accommodating the Ba ions. The structure also has small tube-like tunnels of pentagonal and rhombic cross-sections. The structure contains ethane-like dimeric Sb{sub 3}Ga-GaSb{sub 3} units and GaSb{sub 4} tetrahedra that are connected to form 12- and 14-membered tunnels. Band structure calculations confirm that the material is a semiconductor and indicate that the structure is stabilized by strong Ga-Ga covalent bonding interactions.

  5. Hydrothermal synthesis and characterization of the praseodymium borate-nitrate Pr[B{sub 5}O{sub 8}(OH)(H{sub 2}O){sub 0.87}]NO{sub 3}.2H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Ortner, Teresa S.; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2017-10-01

    The praseodymium borate-nitrate Pr[B{sub 5}O{sub 8}(OH)(H{sub 2}O){sub 0.87}]NO{sub 3}.2H{sub 2}O was obtained in a hydrothermal synthesis. It crystallizes monoclinically in the space group P2{sub 1}/n (no. 14) with four formula units (Z=4) and unit cell parameters of a=641.9(3), b=1551.8(7), c=1068.4(5) pm, with β=90.54(2) yielding V=1.0643(8) nm{sup 3}. The defect variant constitutes the missing member in the series of isostructural, early rare earth borate-nitrates of the composition RE[B{sub 5}O{sub 8}(OH)(H{sub 2}O){sub x}]NO{sub 3}.2H{sub 2}O [RE=La (x=0; 1), Ce (x=1), Nd (x=0.85), Sm (x=0)]. In addition to powder and single-crystal X-ray diffraction data, the novel borate-nitrate was characterized through IR and Raman spectroscopy.

  6. Evidence that cytochrome b{sub 5} acts as a redox donor in CYP17A1 mediated androgen synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Duggal, Ruchia [Department of Biochemistry, University of Illinois Urbana-Champaign, Urbana, IL (United States); Liu, Yilin [Department of Chemistry, Marquette University, Milwaukee, WI (United States); Gregory, Michael C.; Denisov, Ilia G. [Department of Biochemistry, University of Illinois Urbana-Champaign, Urbana, IL (United States); Kincaid, James R. [Department of Chemistry, Marquette University, Milwaukee, WI (United States); Sligar, Stephen G., E-mail: s-sligar@illinois.edu [Department of Biochemistry, University of Illinois Urbana-Champaign, Urbana, IL (United States); Department of Chemistry, University of Illinois Urbana-Champaign, Urbana, IL (United States)

    2016-08-19

    Cytochrome P450 17A1 (CYP17A1) is an important drug target for castration resistant prostate cancer. It is a bi-functional enzyme, catalyzing production of glucocorticoid precursors by hydroxylation of pregnene-nucleus, and androgen biosynthesis by a second C−C lyase step, at the expense of glucocorticoid production. Cytochrome b{sub 5} (cyt b{sub 5}) is known to be a key regulator of the androgen synthesis reaction in vivo, by a mechanism that is not well understood. Two hypotheses have been proposed for the mechanism by which cyt b{sub 5} increases androgen biosynthesis. Cyt b{sub 5} could act as an allosteric effector, binding to CYP17A1 and either changing its selective substrate affinity or altering the conformation of the P450 to increase the catalytic rate or decrease unproductive uncoupling channels. Alternatively, cyt b{sub 5} could act as a redox donor for supply of the second electron in the P450 cycle, reducing the oxyferrous complex to form the reactive peroxo-intermediate. To understand the mechanism of lyase enhancement by cyt b{sub 5}, we generated a redox-inactive form of cyt b{sub 5}, in which the heme is replaced with a Manganese-protoporphyrin IX (Mn-b{sub 5}), and investigated enhancement of androgen producing lyase reaction by CYP17A1. Given the critical significance of a stable membrane anchor for all of the proteins involved and the need for controlled stoichiometric ratios, we employed the Nanodisc system for this study. The redox inactive form was observed to have no effect on the lyase reaction, while reactions with the normal heme-iron containing cyt b{sub 5} were enhanced ∼5 fold as compared to reactions in the absence of cyt b{sub 5}. We also performed resonance Raman measurements on ferric CYP17A1 bound to Mn-b{sub 5}. Upon addition of Mn-b{sub 5} to Nanodisc reconstituted CYP17A1, we observed clear evidence for the formation of a b{sub 5}-CYP17A1 complex, as noted by changes in the porphyrin modes and alteration in the proximal

  7. Lifshitz transitions in RCo{sub 5} (R=Y,La) and in Osmium

    Energy Technology Data Exchange (ETDEWEB)

    Koudela, D.

    2007-02-20

    The aim of this thesis was to find Lifshitz transitions, which are topological changes of the Fermi surface. The materials under consideration had been YCo{sub 5} and LaCo{sub 5} and Osmium. In all cases the question arose, if the corresponding van Hove singularities are large enough to cause detectable anomalies in the elastic properties. To shift the van Hove singularities through the Fermi energy we used hydrostatic pressure, which is mimicked in the computations by decreasing the volume of the unit cell, where the ratio of the unit cell dimensions c/a is adjusted such that E{sub total}(V)=min{sub (c/a)}E{sub total}(V,c/a). In the case of YCo{sub 5} our calculations yield a first order Lifshitz transition. Here, an extraordinarily large peak in the spin-up part of the DOS, which is caused by a nearly dispersionless band in the hexagonal plane, crosses the Fermi level under a pressure of about 21 GPa. Thus, the spin-up 3d states become partly depopulated, which results in a drop of the total magnetic moment of 35%. Further, the transition results in a volume collapse of 1:4%. Though the volume collapse is isomorphic, it exhibits the following anisotropy: while the lattice constant in the hexagonal plane is almost smoothly contracting with increasing pressure, the lattice constant in c-direction collapses at the transition-pressure. Analogous calculations have been performed for the similar compound LaCo{sub 5}. Here as well we predict a first order Lifshitz transition, taking place at a pressure of about 23 GPa. Again we find a volume collapse under pres- sure together with a decrease of the magnetic moment. The relative volume change amounts to 1:3%. Like in YCo{sub 5}, the unit cell dimensions in the hexagonal plane are decreasing almost smoothly with pressure but in c-direction a jump occurs at the transition-pressure. Also the mechanism of the transition is the same than in YCo{sub 5}. For Osmium we find, that LDA reproduces the ground state volume very well

  8. 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.

  9. Formation of Ti(III) and Ti(IV) states in Ti{sub 3}O{sub 5} nano- and microfibers obtained from hydrothermal annealing of C-doped TiO{sub 2} on Si

    Energy Technology Data Exchange (ETDEWEB)

    Stem, Nair, E-mail: nairstem@hotmail.com [Laboratório de Sistemas Integráveis (LSI), Escola Politécnica, Universidade de São Paulo, Av. Prof. Luciano Gualberto 158, 05508900 São Paulo, SP (Brazil); Souza, Michele L.; Araújo de Faria, Dalva Lúcia Araújo [Laboratório de Espectroscopia Molecular (LEM), Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes 748, 05508900 São Paulo, SP (Brazil); Santos Filho, Sebastião G. dos [Laboratório de Sistemas Integráveis (LSI), Escola Politécnica, Universidade de São Paulo, Av. Prof. Luciano Gualberto 158, 05508900 São Paulo, SP (Brazil)

    2014-05-02

    In this work, it is investigated the formation of Ti(III) and Ti(IV) states at the surface and in the bulk of the Ti{sub 3}O{sub 5} material grown as meshes of nano- and micro-fibers obtained from hydrothermal annealing of C-doped TiO{sub 2} on Si. The topography and distribution of the fibers in the meshes were characterized by atomic force microscopy. When the fiber distribution was more compact, a higher photoluminescence signal at 850 nm (1.46 eV) was obtained, indicating the presence of a higher number of defects corresponding to the Ti(III) sites. From X-ray photoelectron spectroscopy, it was obtained a Ti(III)/Ti(IV) ratio much lower than the expected value for the Ti{sub 3}O{sub 5} phase (2 Ti(III): 1 Ti(IV)). The discrepancy was mainly attributed to the reaction of surface Ti(III) states of the Ti{sub 3}O{sub 5} fibers with water during the hydrothermal annealing, resulting in surface Ti(IV) with -OH radicals. On the other hand, X-ray photoelectron spectroscopy also indicated that substitutional and interstitial carbon atoms coexist, elemental carbon exists in the samples due to the co-deposition process and, as a result, the carbon inside of the TiO{sub 2} rutile lattice is acting as one of the precursors for the formation of Ti{sub 3}O{sub 5}. - Highlights: • Ti(III) states are detected inside of Ti{sub 3}O{sub 5} nano- and microfibers. • Ti(IV) states are predominantly detected on the surface of Ti{sub 3}O{sub 5} nano- and microfibers. • Photoluminescence at 850 nm for Ti{sub 3}O{sub 5} is due to defects associated to Ti(III). • Rutile possibly changes to C2/m Ti{sub 3}O{sub 5} during the hydrothermal annealing of C-doped TiO{sub 2}.

  10. The kinematical AdS{sub 5}×S{sup 5} Neumann coefficient

    Energy Technology Data Exchange (ETDEWEB)

    Bajnok, Zoltan [MTA Lendület Holographic QFT Group, Wigner Research Centre,P.O.B. 49, Budapest 114, H-1525 (Hungary); Janik, Romuald A. [Institute of Physics, Jagiellonian University,ul. Łojasiewicza 11, Kraków, 30-348 (Poland)

    2016-02-22

    For the case of two particles a solution of the string field theory vertex axioms can be factorized into a standard form factor and a kinematical piece which includes the dependence on the size of the third string. In this paper we construct an exact solution of the kinematical axioms for AdS{sub 5}×S{sup 5} which includes all order wrapping corrections w.r.t. the size of the third string. This solution is expressed in terms of elliptic Gamma functions and ordinary elliptic functions. The solution is valid at any coupling and we analyze its weak coupling, pp-wave and large L limit.

  11. Ternary gallides RE{sub 4}Rh{sub 9}Ga{sub 5}, RE{sub 5}Rh{sub 12}Ga{sub 7} and RE{sub 7}Rh{sub 18}Ga{sub 11} (RE=Y, La-Nd, Sm, Gd, Tb). Intergrowth structures with MgCu{sub 2} and CaCu{sub 5} related slabs

    Energy Technology Data Exchange (ETDEWEB)

    Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer [Univ. Muenster (Germany). Inst. fuer Anorganische und Analytische Chemie; Janka, Oliver [Univ. Oldenburg (Germany). Inst. fuer Chemie

    2017-07-01

    Fourteen ternary gallides RE{sub 4}Rh{sub 9}Ga{sub 5}, RE{sub 5}Rh{sub 12}Ga{sub 7} and RE{sub 7}Rh{sub 18}Ga{sub 11} (RE=Y, La-Nd, Sm, Gd, Tb) were synthesized from the elements by arc-melting, followed by different annealing sequences either in muffle or induction furnaces. The samples were characterized through Guinier powder patterns and the crystal structures of Ce{sub 4}Rh{sub 9}Ga{sub 5}, Ce{sub 5}Rh{sub 12}Ga{sub 7}, Ce{sub 7}Rh{sub 18}Ga{sub 11}, Nd{sub 5}Rh{sub 10.44(4)}Ga{sub 8.56(4)}, Nd{sub 4}Rh{sub 9}Ga{sub 5} and Gd{sub 4}Rh{sub 9}Ga{sub 5} were refined from single crystal X-ray diffractometer data. The new gallides are the n=2, 3 and 5 members of the RE{sub 2+n} Rh{sub 3+3n} Ga{sub 1+2n} structure series in the Parthe intergrowth concept. The slabs of these intergrowth structures derive from the cubic Laves phase MgCu{sub 2} (Mg{sub 2}Ni{sub 3}Si as ternary variant) and CaCu{sub 5} (CeCo{sub 3}B{sub 2} as ternary variant). Only the Nd{sub 5}Rh{sub 10.44(4)}Ga{sub 8.56(4)} crystal shows Rh/Ga mixing within the Laves type slabs. Magnetic susceptibility measurements reveal Pauli paramagnetism for Y{sub 4}Rh{sub 9}Ga{sub 5} and Curie-Weiss paramagnetism for Gd{sub 4}Rh{sub 9}Ga{sub 5} and Tb{sub 4}Rh{sub 9}Ga{sub 5}. Low-temperature data show ferromagnetic ordering at T{sub C}=78.1 (Gd{sub 4}Rh{sub 9}Ga{sub 5}) and 55.8 K (Tb{sub 4}Rh{sub 9}Ga{sub 5}).

  12. Dimorphism in La{sub 5}Ge{sub 3} and Ce{sub 5}Ge{sub 3}? How exploratory syntheses led to surprising new finds in the La-Ge and Ce-Ge binary phase diagrams

    Energy Technology Data Exchange (ETDEWEB)

    Suen, Nian-Tzu; Bobev, Svilen [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE (United States)

    2014-04-15

    Reported are the synthesis, the crystal structures, and the electronic structures of two new tetragonal phases, La{sub 5}Ge{sub 3} and Ce{sub 5}Ge{sub 3}. Both title compounds crystallize in the Pu{sub 5}Rh{sub 3} (P4/ncc) structure type, which has close structural relationship with the W{sub 5}Si{sub 3} (I4/mcm) structure type. The synthetic results, supported by thermal analysis suggest that this tetragonal phase is only stable at relatively low temperature and it transforms to the hexagonal form (Mn{sub 5}Si{sub 3} structure type, P6{sub 3}/mcm) at above 850 C. The structural relationship between La{sub 5}Ge{sub 3} (Pu{sub 5}Rh{sub 3} type) and La{sub 5}Sn{sub 3} (W{sub 5}Si{sub 3} type) is discussed as well. Temperature dependent DC magnetization and resistivity measurements indicate that the tetragonal phase La{sub 5}Ge{sub 3} exhibits Pauli-like paramagnetism and is a good metallic conductor. For the tetragonal phase Ce{sub 5}Ge{sub 3}, the magnetic behavior obeys the Curie-Weiss law in the high-temperature regime, while it deviates from the Curie-Weiss law at low temperature. No long-range magnetic ordering was observed down to 5 K, although short-range correlations can be inferred below ca. 50 K. The resistivity measurements of Ce{sub 5}Ge{sub 3} also show metallic-like temperature dependence, although the low-temperature behavior resembling a T{sup 2} law could signify anomalous electron-scattering (e.g., Kondo-like effect). The electronic structures of multiple phases with the same nominal compositions, computed by the TB-LMTO-ASA method, are compared and discussed. (Copyright copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Insights on the origin of the Tb{sub 5}Ge{sub 4} magnetocaloric effect

    Energy Technology Data Exchange (ETDEWEB)

    Belo, J.H.; Barbosa, M.B. [IFIMUP and IN-Institue of Nanoscience and Nanotechnology, Departamento de Física da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre. 687, 4169-007 Porto (Portugal); Pires, A.L. [CFNUL - Centro de Física Nuclear da Universidade de Lisboa, Av. Prof. Gama Pinto, 2, 1649-003 Lisboa (Portugal); Costa, R.M.; Teixeira, J.G.V.; Silva, J. [IFIMUP and IN-Institue of Nanoscience and Nanotechnology, Departamento de Física da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre. 687, 4169-007 Porto (Portugal); Algarabel, P.A. [Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza and Consejo Superior de Investigaciones Cientificas, 50009 Zaragoza (Spain); Departamente de Física de la Materia Condensada, Universidad de Zaragoza, 50009 Zaragoza (Spain); Magen, C. [Instituto de Nanociencia de Aragón-ARAID, Universidad de Zaragoza, 50009 Zaragoza (Spain); Departamente de Física de la Materia Condensada, Universidad de Zaragoza, 50009 Zaragoza (Spain); Instituto de Nanociencia de Aragon, Universidad de Zaragoza, 50009 Zaragoza (Spain); Morellon, L. [Departamente de Física de la Materia Condensada, Universidad de Zaragoza, 50009 Zaragoza (Spain); Instituto de Nanociencia de Aragon, Universidad de Zaragoza, 50009 Zaragoza (Spain); Amaral, J.S. [IFIMUP and IN-Institue of Nanoscience and Nanotechnology, Departamento de Física da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre. 687, 4169-007 Porto (Portugal); CICECO, Universidade de Aveiro, 3810-193 Aveiro (Portugal); and others

    2017-05-15

    In this report the magnetic, atomic structures and spin-lattice coupling have been thoroughly studied through high magnetic field magnetometry, Synchrotron X-ray diffraction under applied magnetic field and magnetostriction measurements in the Tb{sub 5}Ge{sub 4} compounds. A field induced phase transition from an antiferromagnetic towards a ferromagnetic ordering was confirmed but with absence of structural transformation. This absence has been confirmed experimentally through synchrotron x-ray diffraction under applied field (up to 30 T). Moreover, this absence was explained via a thermodynamic free energy model: first principles calculations determined a large energy gap (ΔE=0.65 eV) between the two possible structures, O(I) and O(II). From magnetic and structural properties, a H-T phase diagram has been proposed for Tb{sub 5}Ge{sub 4}. Finally it was observed a large magnetostriction (up to 600 ppm) induced by ∆H=7 T.

  14. Passivation behavior of AB{sub 5}-type hydrogen storage alloys for battery electrode application

    Energy Technology Data Exchange (ETDEWEB)

    Meli, F. [Fribourg Univ. (Switzerland). Inst. de Physique; Sakai, T. [Fribourg Univ. (Switzerland). Inst. de Physique; Zuettel, A. [Fribourg Univ. (Switzerland). Inst. de Physique; Schlapbach, L. [Fribourg Univ. (Switzerland). Inst. de Physique

    1995-04-15

    In many applications, AB{sub 5} type hydrogen storage alloys show passivation behavior, i.e. when fully discharged, metal hydride electrodes show (especially at higher temperatures) a decrease in activity and therefore a decrease in capacity at normal discharge currents for ensuing cycles. Passivation may continue to the point where activity becomes so low that the capacity is no longer accessible. Electrochemical measurements were taken of two different AB{sub 5}-type alloys, one with manganese and one without manganese (LaNi{sub 3.4}Co{sub 1.2}Al{sub 0.4} and LaNi{sub 3.4}Co{sub 1.2}Al{sub 0.3}Mn{sub 0.1}). Both alloys showed passivation behavior after remaining in the discharged state. The alloy with manganese showed a stronger tendency to passivation which is in contradiction with earlier observations. Photoelectron spectroscopic analysis together with sputter depth profiling was used to investigate the surface composition of samples which had undergone different surface pretreatments. Surface analysis of electrodes in the passivated state shows a lower content of metallic nickel and a thicker nickel surface oxide film. We attribute the low electrochemical kinetics of the alloys after passivation to the loss of metallic nickel and/or cobalt at the electrode-electrolyte interface. ((orig.))

  15. Dynamic SIMS utilizing SF{sub 5}{sup +} polyatomic primary ion beams for drug delivery applications

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, Christine M.; Roberson, Sonya; Gillen, Greg

    2004-06-15

    The behavior of various biodegradable polymer films (e.g. polylactic acid, polyglycolic acid and polycaprolactone) as well as some model drugs (theophylline and 4-acetamidophenol) under dynamic SF{sub 5}{sup +} primary ion bombardment is explored. A series of polylactic acid films containing varying concentrations of 4-acetamidophenol are also analyzed under similar conditions. The resultant molecular depth profiles obtained from these polymer films doped with drug show very little degradation in molecular signal as a function of SF{sub 5}{sup +} primary ion dose, and it was found that the molecular ion signals of both polymer and drug remained constant for ion doses up to {approx}5x10{sup 15} ions/cm{sup 2}. In addition, the polymer film/Si interface was well defined which may imply that sputter-induced topography formation was not a significant limitation. These results suggest that the structure of the biodegradable polymers studied here which all have the common main chain structural unit, R-CO-O-R, allows for a greater ability to depth profile due to ease of bond cleavage. Most importantly, however, these results indicate that in these particular polymer systems, the distribution of the drug as a function of depth can be monitored.

  16. GaAs radiovoltaic cell enhanced by Y{sub 2}SiO{sub 5} crystal for the development of new gamma microbatteries

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zheng-Rong [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China); Tang, Xiao-Bin, E-mail: tangxiaobin@nuaa.edu.cn [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China); Jiangsu Key Laboratory of Material and Technology for Energy Conversion, Nanjing 211106 (China); Liu, Yun-Peng [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China); Jiangsu Key Laboratory of Material and Technology for Energy Conversion, Nanjing 211106 (China); Xu, Zhi-Heng; Yuan, Zi-Cheng; Liu, Kai; Chen, Wang [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China)

    2017-05-01

    Highlights: • A new gamma/GaAs multi-level structure radiovoltaic microbattery is proposed. • The properties of the new GaAs/YSO radiovoltaic cell was discussed. • The cell with Y{sub 2}SiO{sub 5} crystal can provide higher power and current output. • The irradiation resistance of Y{sub 2}SiO{sub 5} crystal under X-ray excitation was studied. - Abstract: The design of a new gamma/GaAs multi-level structure radiovoltaic microbattery enhanced by an Y{sub 2}SiO{sub 5} (YSO) crystal is proposed. By introducing the YSO crystal in the GaAs radiovoltaic cell, the output power from the cell was significantly improved. We focus on the enhancement mechanisms of performance output in one level of a multi-level structure. The radioluminescence spectra of the YSO crystal revealed its fluorescence in the wavelength range of approximately 300–700 nm. Light at the exact wavelength would normally be totally absorbed by the GaAs photovoltaic material. The radiovoltaic cells were tested using an X-ray tube to simulate the gamma rays emitted by a gamma-radioactive source. Experimental investigation showed that the YSO crystal can increase the cell output power. The output power of the new GaAs/YSO radiovoltaic cell was enhanced by more than four times compared to that of the conventional GaAs radiovoltaic cell. In addition, considering the importance of the YSO crystal in the new GaAs/YSO radiovoltaic cell, the irradiation resistance of the YSO crystal under X-ray excitation was also analysed.

  17. Solid-state synthesis of Li{sub 4}Ti{sub 5}O{sub 12} whiskers from TiO{sub 2}-B

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Wenjun [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, No. 5 Xin Mofan Road, Nanjing 210009 (China); Zhuang, Wei [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, No. 5 Xin Mofan Road, Nanjing 210009 (China); College of Biotechnology and Pharmaceutical Engineering, National Engineering Technique Research Center for Biotechnology, Nanjing Tech University, No. 30, Puzhu South Road, Nanjing 211816 (China); Ji, Xiaoyan [Division of Energy Science/Energy Engineering, Luleå University of Technology, Luleå 97187 Sweden (Sweden); Chen, Jingjing; Lu, Xiaohua [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, No. 5 Xin Mofan Road, Nanjing 210009 (China); Wang, Changsong, E-mail: wcs@njtech.edu.cn [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, No. 5 Xin Mofan Road, Nanjing 210009 (China)

    2016-03-15

    Highlights: • The Li{sub 4}Ti{sub 5}O{sub 12} whiskers were synthesized from TiO{sub 2}-B whiskers via a solid state reaction. • The TiO{sub 2}-B crystal structure for lithium diffusion is easier than anatase. • The separated diffusion and reaction process is crucial for the solid-state syntheses of Li{sub 4}Ti{sub 5}O{sub 12} whiskers. - Abstract: In this work, Li{sub 4}Ti{sub 5}O{sub 12} (LTO) was synthesized from the precursors of TiO{sub 2}-B and anatase whiskers, respectively. The synthesized LTO whiskers from TiO{sub 2}-B whiskers via a solid state reaction at 650 °C have a high degree of crystallinity with an average diameter of 300 nm. However, when anatase whiskers were used as the precursor, only particle morphology LTO was produced at 750 °C. The further analysis of the precursors, the intermediate products and the final products reveal that the crystal structure of the anatase hinders the diffusion of lithium, leading to a typical reaction–diffusion process. Under this condition, only particle morphology LTO can be produced. However, the crystal structure of the TiO{sub 2}-B is easy for lithium diffusion and the process is performed in two separated steps (i.e., diffusion and reaction), which makes it possible to decrease the solid-state reaction temperature down to 650 °C and then maintain the morphologies of whiskers.

  18. Temperature-dependent phase separation during annealing of Ge{sub 2}Sb{sub 2}Te{sub 5} thin films in vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Zheng [Institute of Materials Research and Engineering, A-STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore117602 (Singapore); Pan Jisheng, E-mail: js-pan@imre.a-star.edu.sg [Institute of Materials Research and Engineering, A-STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore117602 (Singapore); Fang, Lina Wei-Wei; Yeo, Yee-Chia [Department of Electrical and Computer Engineering, National University of Singapore (NUS), Singapore 119260 (Singapore); Foo, Yong Lim [Institute of Materials Research and Engineering, A-STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore117602 (Singapore); Zhao Rong; Shi Luping [Data Storage Institute, A-STAR (Agency for Science, Technology and Research), DSI Building, 5 Engineering Drive 1, Singapore 117608 (Singapore); Tok, Eng Soon [Institute of Materials Research and Engineering, A-STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore117602 (Singapore); Department of Physics, National University of Singapore (NUS), Singapore 119260 (Singapore)

    2012-06-01

    Thermal stability of 100 nm Ge{sub 2}Sb{sub 2}Te{sub 5} thin film during annealing from room temperature to 240 Degree-Sign C inside a UHV chamber was studied in situ by X-ray photoelectron spectroscopy (XPS) and ex situ by X-ray diffraction (XRD) and atomic force microscopy (AFM). Ge species are found to diffuse preferentially to the surface when GST film is annealed from 25 Degree-Sign C to 100 Degree-Sign C. This process is accompanied by a change of phase whereby the amorphous film completely becomes face-center-cubic (FCC) phase at 100 Degree-Sign C. From 100 Degree-Sign C to 200 Degree-Sign C, both Sb and Te species are observed to diffuse more to the surface. The FCC phase is partially changed into hexagonal-close-pack (HCP) phase at 200 Degree-Sign C. At 220 Degree-Sign C, FCC phase is completely transformed into HCP phase. Loss of Sb and Te are also detected from the surface and this is attributed to desorption due to their high vapor pressures. At 240 Degree-Sign C, Sb and Te species are found to have desorbed completely from the surface, and leave behind Ge-rich 3D droplets on the surface. The separation of Ge{sub 2}Sb{sub 2}Te{sub 5} into Sb,Te-rich phase and Ge-rich phase is thus the main mechanism to account for the failure of Ge{sub 2}Sb{sub 2}Te{sub 5}-based phase change memory devices under thermal stress.

  19. Structure and magnetic properties of Sm{sub 2}Rh{sub 3}Sn{sub 5}. An intergrowth of TiNiSi- and NdRh{sub 2}Sn{sub 4}-related slabs

    Energy Technology Data Exchange (ETDEWEB)

    Heying, Birgit; Koesters, Jutta; Hoffmann, Rolf-Dieter; Heletta, Lukas; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2017-07-01

    The stannide Sm{sub 2}Rh{sub 3}Sn{sub 5} was obtained by arc-melting of the elements and subsequent annealing at 1070 K in a silica tube. Sm{sub 2}Rh{sub 3}Sn{sub 5} crystallizes with the orthorhombic Y{sub 2}Rh{sub 3}Sn{sub 5} type structure, space group Cmc2{sub 1}, Z=4: a=444.46(8), b=2636.2(4), c=718.3(1) pm, wR=0.0711, 1761 F{sup 2} values and 61 variables. The three crystallographically independent rhodium atoms show tricapped trigonal prismatic coordination by samarium and tin atoms. Sm{sub 2}Rh{sub 3}Sn{sub 5} can be considered as a simple 1:1 intergrowth structure of TiNiSi- and NdRh{sub 2}Sn{sub 4}-related slabs of compositions SmRhSn and SmRh{sub 2}Sn{sub 4}. Temperature dependent magnetic susceptibility data revealed van Vleck type behavior caused by the proximity of the exited {sup 6}H{sub 7/2} state to the {sup 6}H{sub 5/2} ground state of Sm{sup 3+}, and an antiferromagnetic ordering occurs at T{sub N}=3.5(5) K.

  20. Proton glass behaviour in a solid solution of gamma-irradiated deuterated betaine phosphate sub 0 sub . sub 1 sub 5 betaine phosphite sub 0 sub . sub 8 sub 5

    CERN Document Server

    Banys, J; Klimm, C; Voelkel, G; Kloepperpieper, A

    1997-01-01

    Measurements of the dielectric permittivity are reported for a deuterated solid solution of gamma-irradiated antiferroelectric (betainephosphate) sub 0 sub . sub 1 sub 5 ferroelectric (betainephosphite) sub 0 sub . sub 8 sub 5 at frequencies 20 H sub Z sub 5 DBPI sub 0 sub . sub 8 sub 5 revealed the characteristics of a transition into a dipolar glass state. The activation energy was found to be E sub b = 311.6 K (0.027 eV). The Kutnjak model showed a non-typical glass behaviour with an estimated glass temperature of 55.4 K. (author). Letter-to-the-editor

  1. Comparing the dynamic and thermodynamic behaviors of Al{sub 86}Ni{sub 9}-La{sub 5}/(La{sub 0.5}Ce{sub 0.5}){sub 5} amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Li, G.H. [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Wang, W.M. [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China)], E-mail: weiminw@sdu.edu.cn; Bian, X.F.; Zhang, J.T.; Li, R.; Wang, L. [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China)

    2009-06-10

    The dynamic viscosities and thermodynamic dilatometric behaviors of Al{sub 86}Ni{sub 9}La{sub 5} and Al{sub 86}Ni{sub 9}(La{sub 0.5}Ce{sub 0.5}){sub 5} amorphous alloys were investigated using viscometer, differential scanning calorimetry (DSC) and conventional dilatometer. Comparing with Al{sub 86}Ni{sub 9}La{sub 5} alloy, Al{sub 86}Ni{sub 9}(La{sub 0.5}Ce{sub 0.5}){sub 5} alloy exhibits a larger viscosity and a larger average thermal expansion coefficient in the linear expansion zone ({alpha}{sub exp}). The viscosity and thermal expansion data suggest that the partial substitution La by Ce decreases the quantity of free volume in Al-Ni-La system by improving the continuous degree of atomic size, which leads to the improvement of glass forming ability.

  2. 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.

  3. Influence of P{sub 2}O{sub 5} and Al{sub 2}O{sub 3} content on the structure of erbium-doped borosilicate glasses and on their physical, thermal, optical and luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Bourhis, Kevin, E-mail: k.bourhis@argolight.com [Politecnico di Torino, DISAT, Istituto di Ingegneria e Fisica dei Materiali, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy); Massera, Jonathan [Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, FI-20500 Turku (Finland); Petit, Laeticia; Ihalainen, Heikki [nLIGHT Corporation, Sorronrinne 9, FI-08500 Lohja (Finland); Fargues, Alexandre; Cardinal, Thierry [CNRS, Université de Bordeaux, ISM, 351Cours de la Libération, F-33405 Talence (France); Hupa, Leena; Hupa, Mikko [Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, FI-20500 Turku (Finland); Dussauze, Marc; Rodriguez, Vincent [CNRS, Université de Bordeaux, ICMCB, 87 Avenue du Dr Schweitzer, F-33608 Pessac (France); Boussard-Plédel, Catherine; Bureau, Bruno; Roiland, Claire [Equipe Verres et Céramiques, UMR-CNRS 6226, Inst. des Sciences chimiques de Rennes, Université de Rennes 1, 35042 Rennes CEDEX (France); Ferraris, Monica [Politecnico di Torino, DISAT, Istituto di Ingegneria e Fisica dei Materiali, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy)

    2015-03-15

    Highlights: • Reorganization of the glass structure induced by the addition of P{sub 2}O{sub 5} or Al{sub 2}O{sub 3}. • Emission properties related to the presence of P or Al in the Er{sup 3+} coordination shell. • Declustering observed upon addition of P{sub 2}O{sub 5}. • No declustering upon addition of Al{sub 2}O{sub 3}. - Abstract: The effect of P{sub 2}O{sub 5} and/or Al{sub 2}O{sub 3} addition in Er-doped borosilicate glasses on the physical, thermal, optical, and luminescence properties is investigated. The changes in these glass properties are related to the glass structure modifications induced by the addition of P{sub 2}O{sub 5} and/or Al{sub 2}O{sub 3}, which were probed by FTIR, {sup 11}B MAS NMR and X-ray photoelectron spectroscopies. Variations of the polymerization degree of the silicate tetrahedra and modifications in the {sup [3]}B/{sup [4]}B ratio are explained by a charge compensation mechanism due to the formation of AlO{sub 4}, PO{sub 4} groups and the formation of Al-O-P linkages in the glass network. From the absorption and luminescence properties of the Er{sup 3+} ions at 980 nm and 1530 nm, declustering is suspected for the highest P{sub 2}O{sub 5} concentrations while for the highest Al{sub 2}O{sub 3} concentrations no declustering is observed.

  4. Magnetic and structural properties of ferromagnetic Fe{sub 5}PB{sub 2} and Fe{sub 5}SiB{sub 2} and effects of Co and Mn substitutions

    Energy Technology Data Exchange (ETDEWEB)

    McGuire, Michael A., E-mail: McGuireMA@ornl.gov; Parker, David S. [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2015-10-28

    Crystallographic and magnetic properties of Fe{sub 5}PB{sub 2}, Fe{sub 4}CoPB{sub 2}, Fe{sub 4}MnPB{sub 2}, Fe{sub 5}SiB{sub 2}, Fe{sub 4}CoSiB{sub 2}, and Fe{sub 4}MnSiB{sub 2} are reported. All adopt the tetragonal Cr{sub 5}B{sub 3} structure-type and are ferromagnetic at room temperature with easy axis of magnetization along the c-axis. The spin reorientation in Fe{sub 5}SiB{sub 2} is observed as an anomaly in the magnetization near 170 K and is suppressed by substitution of Co or Mn for Fe. The silicides are found to generally have larger magnetic moments than the phosphides, but the data suggest smaller magnetic anisotropy in the silicides. Cobalt substitution reduces the Curie temperatures by more than 100 K and ordered magnetic moments by 16%–20%, while manganese substitution has a much smaller effect. This suggests Mn moments align ferromagnetically with the Fe and that Co does not have an ordered moment in these structures. Anisotropic thermal expansion is observed in Fe{sub 5}PB{sub 2} and Fe{sub 5}SiB{sub 2}, with negative thermal expansion seen along the c-axis of Fe{sub 5}SiB{sub 2}. First principles calculations of the magnetic properties of Fe{sub 5}SiB{sub 2} and Fe{sub 4}MnSiB{sub 2} are reported. The results, including the magnetic moment and anisotropy, are in good agreement with experiment.

  5. Optical absorption and spectroscopic properties of thulium doped (TeO{sub 2})(Nb{sub 2}O{sub 5})(TiO{sub 2}) glasses

    Energy Technology Data Exchange (ETDEWEB)

    Kabalci, Idris [Department of Physics Education, Education Faculty, Harran University, Sanliurfa (Turkey); Tay, Turgay [Department of Chemistry, Science Faculty, Anadolu University, Eskisehir (Turkey); Oezen, Goenuel [Department of Physics, Science and Arts Faculty, Istanbul Technical University, Istanbul (Turkey)

    2011-09-15

    A type of thulium doped tellurite based optical glasses was prepared through conventional melt quenching technique. In the experiments, the effect of different Tm{sup 3+} ion concentration and glass composition on optical properties of (TeO{sub 2}){sub (1-x-y)}(Nb{sub 2}O{sub 5}){sub (x)}(TiO{sub 2}){sub (y)} (x=0.05, 0.10, 0.15, and 0.20 mol) glasses have been investigated by using UV-VIS-NIR optical spectrophotometry measurements in a wavelength range 400-2000 nm. Considering absorption measurements for the 1.0mol% Tm{sup 3+} doped of (TeO{sub 2}){sub 0.9}(Nb{sub 2}O{sub 5}){sub 0.05}(TiO{sub 2}){sub 0.05} glass, {sup 1}G{sub 4}, {sup 3}F{sub 2}, {sup 3}F{sub 3}, {sup 3}F{sub 4}, {sup 3}H{sub 5}, and {sup 3}H{sub 4} absorption bands were observed from the {sup 3}H{sub 6} ground level, at 463, 660, 687, 793, 1211 and 1700 nm wavelengths, respectively. Furthermore, spontaneous emission probabilities, and the radiative lifetimes for the 4f-4f transitions of the Tm{sup 3+} ions were calculated. The spectral intensities were determined in terms of Judd-Ofelt parameters ({omega}{sub 2}, {omega}{sub 4}, {omega}{sub 6}). Luminescence analysis was realized for the different Tm{sup 3+} ion concentration (0.002, 0.005 and 0.01mol) at room temperature. The luminescence band intensity of the {sup 3}F{sub 4}{yields}{sup 3}H{sub 4} transition was measured as a function of Tm{sup 3+} ion concentration (0.002, 0.005 and 0.01mol). Furthermore, luminescence data of the thulium doped glass samples were used to determine the compositional dependence of the emission cross sections at 1470 nm (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Vibronic coupling in asymmetric bichromophores: Experimental investigation of diphenylmethane-d{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Pillsbury, Nathan R.; Kidwell, Nathanael M.; Nebgen, Benjamin; Slipchenko, Lyudmila V.; Zwier, Timothy S., E-mail: david.plusquellic@nist.gov, E-mail: zwier@purdue.edu [Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-2084 (United States); Douglass, Kevin O.; Plusquellic, David F., E-mail: david.plusquellic@nist.gov, E-mail: zwier@purdue.edu [Quantum Electronics and Photonics Division, Physical Measurement Laboratory, National Institute of Standards and Technology, Boulder, Colorado 80305-3328 (United States); Cable, John R. [Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, Ohio 43403-0213 (United States)

    2014-08-14

    Vibrationally and rotationally resolved electronic spectra of diphenylmethane-d{sub 5} (DPM-d{sub 5}) are reported in the isolated-molecule environment of a supersonic expansion. While small, the asymmetry induced by deuteration of one of the aromatic rings is sufficient to cause several important effects that change the principle mechanism of vibronic coupling between the close-lying S{sub 1} and S{sub 2} states, and spectroscopic signatures such coupling produces. The splitting between S{sub 1} and S{sub 2} origins is 186 cm{sup −1}, about 50% greater than its value in DPM-d{sub 0} (123 cm{sup −1}), and an amount sufficient to bring the S{sub 2} zero-point level into near-resonance with the v = 1 level in the S{sub 1} state of a low-frequency phenyl flapping mode, ν{sub R} = 191 cm{sup −1}. Dispersed fluorescence spectra bear clear evidence that Δv(R) = 1 Herzberg-Teller coupling dominates the near-resonant internal mixing between the S{sub 1} and S{sub 2} manifolds. The fluorescence into each pair of Franck-Condon active ring modes shows an asymmetry that suggests incorrectly that the S{sub 1} and S{sub 2} states may be electronically localized. From rotationally resolved studies, the S{sub 0} and S{sub 1} states have been well-fit to asymmetric rotor Hamiltonians while the S{sub 2} state is perturbed and not fit. The transition dipole moment (TDM) orientation of the S{sub 1} state is nearly perpendicular to the C{sub 2} symmetry axes with 66(2)%:3(1)%:34(2)% a:b:c hybrid-type character while that of the S{sub 2} origin contains 50(10)% a:c-type (S{sub 1}) and 50(10)% b-type (S{sub 2}) character. A model is put forward that explains qualitatively the TDM compositions and dispersed emission patterns without the need to invoke electronic localization. The experimental data discussed here serve as a foundation for a multi-mode vibronic coupling model capable of being applied to asymmetric bichromophores, as presented in the work of B. Nebgen and L. V

  7. Investigation of thermoluminescence and kinetic parameters of CaMgB{sub 2}O{sub 5}: Dy{sup 3+} nanophosphor

    Energy Technology Data Exchange (ETDEWEB)

    Manhas, M. [School of Physics, Shri Mata Vaishno Devi University, Katra-182320 J& K (India); Kumar, Vinay, E-mail: vinaykumar@smvdu.ac.in [School of Physics, Shri Mata Vaishno Devi University, Katra-182320 J& K (India); Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa); Ntwaeaborwa, O. M.; Swart, H. C. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa)

    2016-05-06

    In this paper, thermoluminescence (TL) properties of Dy{sup 3+} (1.5 mol %) doped CaMgB{sub 2}O{sub 5} nanophosphor after being exposed to ultraviolet (UV) radiations (λ=254nm) were investigated. In UV exposed samples, the thermoluminescence glow curve consists of a broad glow peak located at 380 K with a small shoulder at 507 K. A shift in glow peak temperature from 367 K to 380 K after the UV exposure for 80 min was observed, which clearly shows that glow peaks follow the second order kinetics. The TL intensity of the peaks increases with an increase in the exposure time of UV rays (10-180 min). The TL Anal program was used to analyze the glow curve. The kinetic parameters such as activation energy (E), the frequency factor (s) and the order of kinetics (b) were calculated for CaMgB{sub 2}O{sub 5}: Dy{sup 3+} nanophosphors.

  8. Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}; Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Luce, M; Benoit, R; Hartmanshenn, O [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-07-01

    The reaction between ClF{sub 3} and UF{sub 4} is partially explained by the study of the reactions of the three systems: UF{sub 4}-ClF, UF{sub 5}-ClF and UF{sub 5}-ClF{sub 3}. The analytical techniques used are: the micro-sublimation, the infra-red spectroscopy and the thermogravimetry. The origin of the by-products is indicated. (authors) [French] La reaction entre ClF{sub 3} et UF{sub 4} est partiellement expliquee grace a l'etude des reactions des trois systemes UF{sub 4}-ClF, UF{sub 5}-ClF et UF{sub 5}-ClF{sub 3}. Les techniques analytiques utilisees sont: la micro-sublimation, la spectroscopie infrarouge et la thermogravimetrie. L'origine des sous-produits est indiquee. (auteurs)

  9. Pressure effects on crystal structures and magnetic properties of RCo{sub 5} (R = Y or Gd) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Burzo, E. [Faculty of Physics, Babes-Bolyai University Cluj-Napoca 400084 (Romania); Vlaic, P. [Faculty of Physics, Babes-Bolyai University Cluj-Napoca 400084 Romania and University of Medicine and Pharmacy Iuliu Hatieganu, Physics and Biophysics Department Cluj-Napoca (Romania)

    2013-11-13

    The pressure dependences of crystal structures and magnetic properties of YCo{sub 5} and GdCo{sub 5} compounds are analysed based on band structure calculations. Isomorphic transitions were evidenced for relative volumes v/v{sub 0} = 0.91 and 0.86, for YCo{sub 5} and GdCo{sub 5}, respectively. At the transition, there is a higher decrease of cobalt moments at 3g sites as compared to those located in 2c ones. The induced polarizations on Y4d and Gd5d bands, by short range interactions, are linearly dependent on the magnetizations of cobalt atoms situated in their neighborhood. The isomorphic transitions are analysed in correlations with band structures.

  10. Thermal and galvanomagnetic properties of monocrystals CuInGa{sub 2}Te{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Abilov, Ch. I., E-mail: cabilov@yahoo.com; Hasanova, M. Sh., E-mail: mhsh28@mail.ru; Huseynova, N. T. [Azerbaijan Technical University, Baku (Azerbaijan); Zeynalov, S. A. [Azerbaijan Institute of Teachers, Baku (Azerbaijan)

    2016-03-25

    By the methods of the physic-chemical analysis, determination of density and by measurement of micro hardness the character of chemical interaction in the In{sub 2}Te{sub 3}-Cu{sub 2}Ga{sub 4}Te{sub 7} system has been investigated and its faze diagram has been plotted. It is established that the system is quasibinary, of eutectic type. In the system the chemical combination of CuGa{sub 2}InTe{sub 5} composition melting congruently at 855°C is generated. There have been revealed solid solutions boundary of which based on In{sub 2}Te{sub 3} reach 5mol% at room temperatures. Temperature dependences of electric conductivity, the coefficient of thermo-emf, general heat conductivity, the Hall mobility of charge carriers.The mechanisms of electron-phonon diffusion in crystals of its compound have been revealed.

  11. Yb valence state in Yb{sub 5}Rh{sub 4}Ge{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Hitoshi; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima (Japan); Utsumi, Yuki [Synchrotron SOLEIL, L' Orme des Merisiers, Gif-sur-Yvette (France); Katoh, Kenichi [Department of Applied Physics, National Defense Academy, Yokosuka (Japan); Mimura, Kojiro [Graduate School of Engineering, Osaka Prefecture University, Sakai (Japan); Ueda, Shigenori [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, Hyogo (Japan); Quantum Beam Unit, National Institute for Materials Science, Tsukuba (Japan); Yamaoka, Hitoshi [RIKEN SPring-8 Center, Hyogo (Japan); Rousuli, Awabaikeli [Graduate School of Science, Hiroshima University, Higashi-Hiroshima (Japan); Umeo, Kazunori [NBARD, Hiroshima University, Higashi-Hiroshima (Japan)

    2017-06-15

    Temperature- and pressure-dependent Yb valence state in Yb{sub 5}Rh{sub 4}Ge{sub 10} has been investigated by means of Yb 3d hard X-ray photoemission spectroscopy (HAXPES) and Yb L{sub 3} absorption spectroscopy (XAS). The mean Yb valence derived from the Yb 3d HAXPES is estimated to be ∝2.78 at 300 K and decreases to ∝2.74 at 20 K. On the other hand, the Yb valence deduced from the Yb L{sub 3} XAS at 300 K is almost constant with ∝2.81 in the pressure range between 9.2 and 34.7 GPa. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. A 1D coordination polymer of UF{sub 5} with HCN as a ligand

    Energy Technology Data Exchange (ETDEWEB)

    Scheibe, Benjamin; Rudel, Stefan S.; Buchner, Magnus R.; Kraus, Florian [Fachbereich Chemie, Philipps-Universitaet Marburg (Germany); Karttunen, Antti J. [Department of Chemistry, Aalto University (Finland)

    2017-01-05

    β-Uranium(V) fluoride was reacted with liquid anhydrous hydrogen cyanide to obtain a 1D coordination polymer with the composition {sup 1}{sub ∞}[UF{sub 5}(HCN){sub 2}], {sup 1}{sub ∞}[UF{sub 4/1}F{sub 2/2}-(HCN){sub 2/1}], revealed by single-crystal X-ray structure determination. The reaction system was furthermore studied by means of vibrational and NMR spectroscopy, as well as by quantum chemical calculations. The compound presents the first described polymeric HCN Lewis adduct and the first HCN adduct of a uranium fluoride. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Scanning tunneling microscopy study of a newly proposed topological insulator ZrTe{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Kuhn, Timo; Gragnaniello, Luca; Fonin, Mikhail [Universitaet Konstanz (Germany); Autes, Gabriel; Berger, Helmuth; Yazyev, Oleg [Institute of Condensed Matter Physics, Ecole Polytechnique Federale de Lausanne (EPFL), Lausanne (Switzerland); Manzoni, Giulia [Universita degli Studi di Trieste (Italy); Crepaldi, Alberto; Parmigiani, Fulvio [Elettra-Sincrotrone Trieste, Trieste (Italy)

    2016-07-01

    Topological insulators belong to a new kind of material class that posses robust gapless states inside the insulating bulk gap, which makes them promising candidates for achieving dissipationless transport devices. We present a Scanning tunneling microscopy (STM) and spectroscopy (STS) study on a layered material ZrTe{sub 5}, a promising candidate for a new topological insulator. The crystal structure could clearly be identified in topography images. STM measurements enabled direct imaging of standing waves at steps and defects. The standing waves show a clearly dispersive character. Furthermore STS measurements are in good agreement with density functional theory calculations and reveal Landau quantization with applied magnetic field. Comparison with data obtained by angle resolved photoemission spectroscopy allows for detailed insights into the electronic properties of this material.

  14. Resurgence of the dressing phase for AdS{sub 5}×S{sup 5}

    Energy Technology Data Exchange (ETDEWEB)

    Arutyunov, Gleb [Institut für Theoretische Physik, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Zentrum für Mathematische Physik, Universität Hamburg, Bundesstrasse 55, 20146 Hamburg (Germany); Dorigoni, Daniele [Centre for Particle Theory & Department of Mathematical Sciences, Durham University, Lower Mountjoy Stockton Road, Durham DH1 3LE (United Kingdom); Savin, Sergei [Institut für Theoretische Physik, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Zentrum für Mathematische Physik, Universität Hamburg, Bundesstrasse 55, 20146 Hamburg (Germany)

    2017-01-13

    We discuss the resummation of the strong coupling asymptotic expansion of the dressing phase of the AdS{sub 5}×S{sup 5} superstring. The dressing phase proposed by Beisert, Eden and Staudacher can be recovered from a modified Borel-Ecalle resummation of this asymptotic expansion only by completing it with new, non-perturbative and exponentially suppressed terms that can be organized into different sectors labelled by an instanton-like number. We compute the contribution to the dressing phase coming from the sum over all the instanton sectors and show that it satisfies the homogeneous crossing symmetry equation. We comment on the semiclassical origin of the non-perturbative terms from the world-sheet theory point of view even though their precise explanation remains still quite mysterious.

  15. Radiometric control for P/sub 2/O/sub 5/ content in Polpinsky are deposit phosphorites

    Energy Technology Data Exchange (ETDEWEB)

    Belyakov, M A; Berenshtein, M L; Startsev, V K; Akindinov, V A

    1977-01-01

    Results are cited of laboratory research into the possibility of radiometric determination of P/sub 2/O/sub 5/ in phosphorites of Polpinsky deposit. On the basis of the studies performed, a plant and methods have been developed for the continuous control of P/sub 2/O/sub 5/ content in ore. The plant has been tested at the Bryansk phosphorite works. The accuracy of analysis is 0.8 percent.

  16. Up-conversion routines of Er{sup 3+}–Yb{sup 3+} doped Y{sub 6}O{sub 5}F{sub 8} and YOF phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sangmoon, E-mail: spark@silla.ac.kr [Center for Green Fusion Technology and Department of Engineering in Energy & Applied Chemistry, Silla University, Busan 617-736 (Korea, Republic of); Yang, Wonseok; Park, Chu-Young; Noh, Minhee; Choi, Seulki [Center for Green Fusion Technology and Department of Engineering in Energy & Applied Chemistry, Silla University, Busan 617-736 (Korea, Republic of); Park, Dahye; Jang, Ho Seong; Cho, So-Hye [Center for Materials Architecturing, Institute of Multidisciplinary Convergence of Materials, Korea Institute of Science and Technology, Seoul 130-650 (Korea, Republic of)

    2015-11-15

    Highlights: • Single-phase optical materials of Y{sub 6}O{sub 5}F{sub 8}:Er and YOF:Er were prepared. • Effective spectral converting properties were observed in Y{sub 6}O{sub 5}F{sub 8}:Er,Yb. • 980 nm diode laser was irradiated for up-converting analysis. • A multi-photon process in the phosphors was investigated. - Abstract: Optical materials composed of a Y{sub 6(1−p−q)}Er{sub 6p}Yb{sub 6q}O{sub 5}F{sub 8} (p = 0.001–0.1, q = 0.005–0.1) solid solution with Y{sub 0.99}Er{sub 0.01}OF were prepared via a solid-state reaction using excess NH{sub 4}F flux at 950 °C for 30 min. X-ray diffraction patterns of Y{sub 6(1−p−q)}Er{sub 6p}Yb{sub 6q}O{sub 5}F{sub 8} and Y{sub 0.99}Er{sub 0.01}OF were compared upon altering the synthesis temperature and the molar ratio of the NH{sub 4}F flux to the Y{sup 3+} (Er{sup 3+}, Yb{sup 3+}) ions. The effective spectral-conversion properties of Er{sup 3+} and Er{sup 3+}–Yb{sup 3+} ions in Y{sub 6}O{sub 5}F{sub 8} phosphors were monitored during excitation with a 980 nm wavelength diode-laser. Selection of appropriate Er{sup 3+} and/or Yb{sup 3+} concentrations in the Y{sub 6}O{sub 5}F{sub 8} structure led to achievement of the desired up-conversion emission, from the green to the red regions of the spectra. Furthermore, the mechanism of up-conversion in the phosphors was described by an energy-level schematic. Up-conversion emission spectra and the dependence of the emission intensity on pump power (between 193 and 310 mW) in the Y{sub 6(0.995−q)}Er{sub 0.03}Yb{sub 6q}O{sub 5}F{sub 8} phosphors were also investigated.

  17. The germanides Er{sub 5}Pd{sub 4}Ge{sub 8} and Tm{sub 5}Pd{sub 4}Ge{sub 8}. 3D [Pd{sub 4}Ge{sub 8}] polyanions with Ge{sub 2} dumb-bells and Ge{sub 4} chains in cis-conformation

    Energy Technology Data Exchange (ETDEWEB)

    Heying, Birgit; Rodewald, Ute C.; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2017-07-01

    Tm{sub 5}Pd{sub 4}Ge{sub 8} was synthesized by melting of the elements in an arc-melting furnace. The new germanide was characterized by powder and single-crystal X-ray diffraction: own structure type, P2{sub 1}/m, a=574.3(1), b=1380.4(3), c=836.4(1) pm, β=107.57(2) , V=0.6321 nm{sup 3}, wR2=0.0578, 2533 F{sup 2} values, 86 variables. The palladium and germanium atoms built up a three-dimensional [Pd{sub 4}Ge{sub 8}]{sup 15-} polyanionic network which contains a unique germanium substructure composed of the Zintl anions Ge{sub 2}{sup 6-} dumb-bells and Ge{sub 4}{sup 10-} chains in cis-conformation. The palladium atoms within the network have distorted square pyramidal germanium coordination. The three crystallographically independent thulium atoms have coordination numbers 15, 16 and 17 with partial motifs of the Frank-Kasper type polyhedra. The isotypic germanide Er{sub 5}Pd{sub 4}Ge{sub 8} forms only after annealing the arc-melted sample at 1070 K for 1 week: a=575.14(9), b=1386.3(3), c=838.4(1) pm, β=107.51(2) , V=0.6375 nm{sup 3}.

  18. 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.

  19. Controlled synthesis, formation mechanism, and carbon oxidation properties of Ho{sub 2}Cu{sub 2}O{sub 5} nanoplates prepared with a coordination-complex method

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Rui [School of Resources and Materials, Northeastern University at Qinhuangdao 066004 (China); School of Metallurgy, Northeastern University, Shenyang 110004 (China); You, Junhua [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang 110870 (China); Han, Fei; Li, Chaoyang; Zheng, Guiyuan; Xiao, Weicheng [School of Resources and Materials, Northeastern University at Qinhuangdao 066004 (China); Liu, Xuanwen, E-mail: lxw@mail.neuq.edu.cn [School of Resources and Materials, Northeastern University at Qinhuangdao 066004 (China); School of Metallurgy, Northeastern University, Shenyang 110004 (China)

    2017-02-28

    Highlights: • The crystallization mechanism relies on Ho{sup 3+} and Cu{sup 2+} diffusion. • The Ho{sub 2}Cu{sub 2}O{sub 5} particles are refined by the coordination complex method under N{sub 2} environment. • The catalytic oxidation activity of Ho{sub 2}Cu{sub 2}O{sub 5} samples for carbon is enhanced. - Abstract: Ho{sub 2}Cu{sub 2}O{sub 5} nanoplates with perovskite structures were synthesized via a simple solution method (SSM) and a coordination-complex method (CCM) using [HoCu(3,4-pdc){sub 2}(OAc)(H{sub 2}O){sub 3}]·8H{sub 2}O (L = 3,4-pyridinedicarboxylic acid) as a precursor. The CCM was also performed in an N{sub 2} environment (CCMN) under various calcination conditions. The crystallization processes were characterized using X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy. Ho{sub 2}Cu{sub 2}O{sub 5} formed through the diffusion of CuO into Ho{sub 2}O{sub 3} particles. Cu{sup 2+} diffused faster than Ho{sup 3+} during this process. The initial products of CCMN (along with the thermal decomposition products) were initially laminarized in the N{sub 2} atmosphere, which prevented the growth of CuO particles and decreased the size of the Ho{sub 2}Cu{sub 2}O{sub 5} particles. The final Ho{sub 2}Cu{sub 2}O{sub 5} particles from CCMN had a nanoplate morphology with an average thickness of 75 nm. The decomposition of organic molecules and protection from N{sub 2} played important roles in determining the morphology of the resulting Ho{sub 2}Cu{sub 2}O{sub 5}. The catalytic oxidation activity of Ho{sub 2}Cu{sub 2}O{sub 5} samples for carbon was characterized using a specific surface area measurement and thermogravimetric analysis, which revealed that the samples produced by CCMN had the highest catalytic activity.

  20. Electrochemical preparation and characteristics of Ni-Co-LaNi{sub 5} composite coatings as electrode materials for hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Wu Gang; Li Ning; Dai Changsong; Zhou Derui

    2004-02-15

    Electrocatalytic activity for the hydrogen evolution reaction on Ni-Co-LaNi{sub 5} composite electrodes prepared by electrochemical codeposition technique was evaluated. The relationship between the current density for hydrogen evolution reaction and the amount of LaNi{sub 5} particles in Ni-Co baths is like the well-known 'volcano plot'. The Surface morphology and microstructure of Ni-Co-LaNi{sub 5} coatings were determined by means of scanning electron microscopy (SEM) and X-ray diffraction (XRD). The kinetic parameters were determined from electrochemical steady-state Tafel polarization and electrochemical impedance spectroscopy technology in 1 M NaOH solution. The values obtained for the apparent energies of activation are 32.48, 46.29 and 57.03 kJ mol{sup -1} for the Ni-Co-LaNi{sub 5}, Ni-Co and Ni electrodes, respectively. The hydrogen evolution reaction on Ni-Co-LaNi{sub 5} proceeds via Volmer-Tafel reaction route with the mixed rate determining characteristics. The composite coating Ni-Co-LaNi{sub 5} is catalytically more active than Ni and Ni-Co electrodes due to the increase in its real surface areas and the decrease in the apparent free energy of activation caused by the electrocatalytic synergistic effect of the Ni-Co alloys and the hydrogen storage intermetallic particles on the electrode surface.

  1. Hydrothermal synthesis of HoMn{sub 2}O{sub 5} nanorods and their size-dependent magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Yichao; Wu, Songping, E-mail: chwsp@scut.edu.cn; Xu, Rui

    2017-03-01

    The HoMn{sub 2}O{sub 5} nanorods were synthesized by a surfactant-assisted hydrothermal process. The length of nanorods is readily controllable with basically constant diameter. HoMn{sub 2}O{sub 5} nanorods show recognizable divagation at T{sub N}(Ho) of 13 K between FC and ZFC curve due to the contribution of the magnetic ordering of holmium. Size-dependent magnetic properties (i.e. a critical length for magnetization) of HoMn{sub 2}O{sub 5} nanorods can be ascribed to the competition between surface strain and uncompensated spin at the surface. - Highlights: • HoMn{sub 2}O{sub 5} nanorods were synthesized by a surfactant-assisted hydrothermal route. • HoMn{sub 2}O{sub 5} nanorods show recognizable divagation at T{sub N}(Ho) of 13 K between FC and ZFC. • Size-dependent magnetic properties of HoMn{sub 2}O{sub 5} nanorods can be observed.

  2. Doping of Co into V{sub 2}O{sub 5} nanoparticles enhances photodegradation of methylene blue

    Energy Technology Data Exchange (ETDEWEB)

    Suresh, R.; Giribabu, K.; Manigandan, R.; Munusamy, S.; Praveen Kumar, S.; Muthamizh, S. [Department of Inorganic Chemistry, University of Madras, Guindy Maraimalai Campus, Chennai 600 025 (India); Stephen, A. [Department of Nuclear Physics, University of Madras, Guindy Maraimalai Campus, Chennai 600 025 (India); Narayanan, V., E-mail: vnnara@yahoo.co.in [Department of Inorganic Chemistry, University of Madras, Guindy Maraimalai Campus, Chennai 600 025 (India)

    2014-06-15

    Highlights: • Co-doped V{sub 2}O{sub 5} nanoparticles are synthesized by thermal decomposition method. • The nanoparticles are used as photocatalyst for the first time. • Doped samples exhibited enhanced photodegradation property. • Observed enhanced activity is due to Co and plausible mechanism has been proposed. - Abstract: V{sub 2}O{sub 5} nanoparticles doped with different amounts of (x = 2%, 5% and 10%) Co was successfully synthesized by thermal decomposition method with the purpose of enhancing their photodegradation performance under visible light irradiation. The samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), Raman, UV–Vis, photoluminescence (PL) spectroscopy, field emission scanning electron microscopy (FE-SEM) and high resolution transmission electron microscopy (HR-TEM). The photodegradation property of the prepared pure V{sub 2}O{sub 5} and Co-V{sub 2}O{sub 5} nanoparticles were investigated by using aqueous solution of methylene blue (MB) under visible light irradiation. The obtained results clearly indicated that the amount of Co has significant effect on the photodegradation of MB. Particularly, 10%Co-V{sub 2}O{sub 5} nanoparticles exhibits enhanced photodegradation property than the pure, 2% and 5%Co-doped samples. A plausible mechanism was put forth for such significant improvements in photodegradation performance of Co-V{sub 2}O{sub 5}.

  3. Crystal growth and scintillation properties of Er-doped Lu{sub 3}Al{sub 5}O{sub 12} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sugiyama, Makoto, E-mail: makoto.sugiyama@imr.tohoku.ac.jp [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Fujimoto, Yutaka [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Yanagida, Takayuki [New Industry Creation Hatchery Center (NICHe), Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan); Totsuka, Daisuke [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Nihon Kessho Kogaku Co. Ltd., 810-5 Nobe-cho Tatebayashi Gunma (Japan); Kurosawa, Shunsuke; Futami, Yoshisuke; Yokota, Yuui; Chani, Valery [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Yoshikawa, Akira [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); New Industry Creation Hatchery Center (NICHe), Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan)

    2012-02-01

    Er-doped Lu{sub 3}Al{sub 5}O{sub 12} (Er:LuAG) single crystalline scintillators with different Er concentrations of 0.1, 0.5, 1, and 3% were grown by the micro-pulling-down ({mu}-PD) method. The grown crystals were composed of single-phase material, as demonstrated by powder X-ray diffraction (XRD). The radioluminescence spectra measured under {sup 241}Am {alpha}-ray excitation indicated host emission at approximately 350 nm and Er{sup 3+} 4f-4f emissions. According to the pulse height spectra recorded under {gamma}-ray irradiation, the 0.5% Er:LuAG exhibited the highest peak channel among the samples. The {gamma}-ray excited decay time profiles were well fitted by the two-component exponential approximation (0.8 {mu}s and 6-10 {mu}s).

  4. Structure, luminescence and thermal quenching properties of Eu doped Sr{sub 2−x}Ba{sub x}Si{sub 5}N{sub 8} red phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Y.H.; Chen, L.; Zhou, X.F.; Liu, R.H., E-mail: griremlrh@126.com; Zhuang, W.D.

    2017-02-15

    Eu{sup 2+} doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} phosphors were synthesized at 1610 ℃ for 4 h via the solid-state reaction method. The XRD results confirm that the complete solid solutions are formed. With the increase of x, the emission spectra show an obvious blue-shift from 610 nm to 585 nm under the excitation of 460 nm. The color tone can be tuned from yellow to red. The corresponding mechanism for the blue-shift of peak-wavelength is studied in detail. The results of decomposed Gaussian spectra and fluorescence lifetime show that the local coordination structure surrounding activator ions changes with increasing x value. It is found that the probability of Eu occupying Sr1 and Sr2 site is dependent on Ba/Sr ratio. The variation of thermal quenching properties and the corresponding mechanism is discussed in detail. The results indicate that Eu{sup 2+} doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} is a promising orange red-emitting phosphor for near UV or blue light-pumped white light-emitting-diodes (wLEDs). - Graphical abstract: Eu{sup 2+} doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} solid solutions were prepared by the solid-state reaction method. The structure, luminescence and thermal quenching properties with varying Ba/Sr ratio were investigated in detail. - Highlights: • The stucture and luminescence properties of Eu doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} phosphors were investigated. • The samples with the intermediate compositions(x=1.0,1.5) show better stability than the end members of both Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+} and Ba{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}. • The possible mechanism for the improvement of thermal quenching properties was proposed.

  5. Morphology and magnetic properties of CeCo{sub 5} submicron flakes prepared by surfactant-assisted high-energy ball milling

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, J.J.; Gao, H.M.; Yan, Y.; Bai, X.; Su, F.; Wang, W.Q. [State key Laboratory for Superhard Materials and Department of Physics, Jilin University, Changchun 130012 (China); Du, X.B., E-mail: duxb@jlu.edu.cn [State key Laboratory for Superhard Materials and Department of Physics, Jilin University, Changchun 130012 (China)

    2012-10-15

    CeCo{sub 5} permanent magnetic alloy has been processed by surfactant assisted high energy ball milling. Heptane and oleic acid were used as the solvent and surfactant, respectively. The amount of surfactant used was 50% by weight of the starting powder. The produced particles were deposited on a piece of copper (4 mm in length and width) under a magnetic field of 27 kOe applied along the copper surface and immobilized by ethyl {alpha}-cyanoacrylate. Scanning electron microscope pictures show that the particles are flakes, several {mu}m in length and width and tens of nm in thickness. X-ray diffraction patterns and magnetic measurements prove that the flakes are crystalline with c-axes magnetic anisotropy. The easy magnetization axis is oriented perpendicular to the surface of the flake. A maximum coercivity of 3.3 kOe was obtained for the sample milled for 40 min. - Highlights: Black-Right-Pointing-Pointer CeCo{sub 5} permanent magnetic alloy has been processed by surfactant assisted high energy ball milling (HEBM). Black-Right-Pointing-Pointer The particles show a flake-like morphology with several {mu}m in length and width and tens nm in thickness. Black-Right-Pointing-Pointer The flakes are crystallographic and magnetic anisotropic and the c-axes, also the easy magnetization directions are oriented perpendicular to the surface of the flake. Black-Right-Pointing-Pointer Maximum coercivity of 3.3 kOe has been obtained for the sample milled for 40 min.

  6. Effect of the ITO substrate on the growth of Cu(In,Ga)Se{sub 2}, CuGa{sub 3}Se{sub 5}, CuGa{sub 5}Se{sub 8} and CuIn{sub 3}Se{sub 5} thin films by flash evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Friedrich, E J; Merino, J M; Leon, M [Department of Applied Physics, Universidad Autonoma de Madrid (UAM), Cantoblanco, 28049 Madrid (Spain); Trigo, J F; Guillen, C [Department of Energy, CIEMAT, Avda Complutense, 22, 28040 Madrid (Spain); Ramiro, J, E-mail: josue.friedrich@uam.e [Department of Theory of Signal and Communications, URJC, Campus Fuenlabrada, 122, 28943 Madrid (Spain)

    2009-04-21

    Structural, compositional, electrical and morphological properties of CuIn{sub 1-x}Ga{sub x}Se{sub 2} (x = 0.15, 0.30) and ordered defect compounds (ODC) CuGa{sub 3}Se{sub 5}, CuGa{sub 5}Se{sub 8}, CuIn{sub 3}Se{sub 5} thin films grown by flash evaporation onto soda lime glass substrates (SLG) and ITO/SLG have been studied. Polycrystalline thin films with accentuated preferential orientation in the (1 1 2) plane of the tetragonal structure have been obtained. Annealing in Se atmosphere improves the structural, morphological, electrical and optical properties of the evaporated films, but provokes the formation of a CuIn{sub x}Se{sub y} phase on the surface of the films. Band gap values ranging between 1.01 and 1.21 eV have been obtained for the as-grown CuIn{sub 1-x}Ga{sub x}Se{sub 2} thin films and between 1.09 and 2.01 eV for the CuGa{sub 3}Se{sub 5}, CuGa{sub 5}Se{sub 8} and CuIn{sub 3}Se{sub 5} thin films.

  7. Sol–gel assisted synthesis and photoluminescence property of Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}, Dy{sup 3+} red phosphor for white light emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wentao, E-mail: zhangwentao2005@163.com [College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China); Mineral Resources Chemistry Key Laboratory of Sichuan Higher Education Institutions, Chengdu 610059 (China); Wang, Yulong; Gao, Yang [College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China); Long, Jianping [College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China); Mineral Resources Chemistry Key Laboratory of Sichuan Higher Education Institutions, Chengdu 610059 (China); Li, Junfeng [College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China)

    2016-05-15

    Eu{sup 2+}, Dy{sup 3+} co-doped Sr{sub 2}Si{sub 5}N{sub 8} red phosphors were prepared using a sol–gel-nitridation method at a lower temperature comparing with traditional solid state reaction. Effects of synthesis process, Eu{sup 2+} and Dy{sup 3+} doping concentration on the crystal structure and luminescence property of as-prepared phosphors were investigated. X-ray diffraction patterns indicated that all Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}, Dy{sup 3+} phosphors have the standard phase of Sr{sub 2}Si{sub 5}N{sub 8} structure. With a broad excitation from UV to blue light, a strong emission of Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}, Dy{sup 3+} with 4f{sup 6}5d{sup 1}→4f{sup 7} transition of Eu{sup 2+} ions was obtained at red region in photoluminescence spectra. Emission peaks in spectra were red-shifted from 611 to 632 nm for all Sr{sub 2}Si{sub 5}N{sub 8}:xEu{sup 2+} as Eu{sup 2+} ion concentrations increased, which due to Eu{sup 2+} ions occupying from the tenfold coordinated site (Sr1) to the eightfold coordinated site (Sr2). These Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+} phosphors with Dy{sup 3+} co-doping showed excellent luminescence properties, included emission intensity and luminescence quenching. It is potential that Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}, Dy{sup 3+} phosphors can be applied in white LEDs combining with blue InGaN LEDs. - Highlights: • Eu{sup 2+}/Dy{sup 3+} co-doped Sr{sub 2}Si{sub 5}N{sub 8} red phosphor were prepared by sol–gel-nitridation. • Sol–gel-nitridation method decreased the crystallization temperature of Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}, Dy{sup 3+} effectively. • Luminescence properties of Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+} were improved obviously by Dy{sup 3+} co-doping. • Luminescence properties of Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}, Dy{sup 3+} phosphors are superior to commercial Y{sub 2}O{sub 2}S:Eu{sup 3+}.

  8. Crystal growth of Li{sup 10}B{sub 3}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Sugiyama, Akira [Kansai Research Establishment, Japan Atomic Energy Research Institute, Kizu, Kyoto (Japan); Gallagher, Hugh G.; Han, Thomas P.J.

    1999-09-01

    The growth of boron 10 isotope enriched L{sup 10}BO (Li{sup 10}B{sub 3}O{sub 5}) optical crystal has been developed from Top-Seeded-Solution-Growth using a resistance furnace. In the preparation for growth materials, we have made further improvement on a charge loading technique to a crucible and succeeded in forming suitable high temperature flux for producing crystals. Adequate temperature gradient of 1K/cm inside the crucible was achieved from searching for a combination of setting temperatures in the vertical three-zone furnace and installing a ceramic ring under the crucible. We have also optimized seed holder configuration and established growth conditions by several attempts. As a result, two good quality L{sup 10}BO crystals were produced with sizes of 14 x 25 x 22 mm and 13 x 10 x 12 mm from <001> oriented seed crystals. Although these sizes were limited by the size of the crucible used, appropriate oriented samples were extracted for detailed studies in optical measurements. (author)

  9. Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps.

    Science.gov (United States)

    Singharoy, Abhishek; Teo, Ivan; McGreevy, Ryan; Stone, John E; Zhao, Jianhua; Schulten, Klaus

    2016-07-07

    Two structure determination methods, based on the molecular dynamics flexible fitting (MDFF) paradigm, are presented that resolve sub-5 Å cryo-electron microscopy (EM) maps with either single structures or ensembles of such structures. The methods, denoted cascade MDFF and resolution exchange MDFF, sequentially re-refine a search model against a series of maps of progressively higher resolutions, which ends with the original experimental resolution. Application of sequential re-refinement enables MDFF to achieve a radius of convergence of ~25 Å demonstrated with the accurate modeling of β-galactosidase and TRPV1 proteins at 3.2 Å and 3.4 Å resolution, respectively. The MDFF refinements uniquely offer map-model validation and B-factor determination criteria based on the inherent dynamics of the macromolecules studied, captured by means of local root mean square fluctuations. The MDFF tools described are available to researchers through an easy-to-use and cost-effective cloud computing resource on Amazon Web Services.

  10. Temperature and cooling field dependent exchange coupling in [Cr/Gd]{sub 5} multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Z.W.; Chen, H.J.; Jiang, W.D.; Wang, J.F.; Yu, S.J. [Department of Physics, China Jiliang University, Hangzhou (China); Hou, Y.L.; Lu, B.; Ye, Q.L. [Department of Physics, Hangzhou Normal University, Hangzhou (China)

    2016-09-15

    Exchange coupling has been investigated in the [Cr/Gd]{sub 5} multilayers deposited at 25, 200, and 400 C, where the Neel temperature (T{sub N}) of antiferromagnetic Cr is slightly higher than the Curie temperature (T{sub C}) of ferromagnetic Gd. It was found that the exchange coupling existed not only at T{sub C} < T < T{sub N}, but also above the temperature (T{sub N}) of antiferromagnetic orderings with incommensurate spin-density wave structures transiting to paramagnetic state. These results can be discussed in terms of the crucial role played by the antiferromagnetic spins of Cr with commensurate spin-density wave structures in the vicinity of the Cr/Gd interfaces. Moreover, the exchange coupling of the multilayers grown at different temperatures exhibited different dependencies on the measuring temperature and the cooling field, respectively. Positive exchange bias was observed in the multilayers grown at 200 and 400 C. The interfacial roughness, grain size, and the antiferromagnetic orderings of Cr may be responsible for the anomalous exchange coupling of the multilayers. In addition, the competition between the exchange coupling at Cr/Gd interfaces and the external field-Cr surface magnetic coupling can explain the appearance of negative or positive exchange bias. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Electronic parameters and top surface chemical stability of RbPb{sub 2}Br{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Pokrovsky, L.D. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Tarasova, A.Yu. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2012-01-16

    Highlights: Black-Right-Pointing-Pointer Bridgman growth of RbPb{sub 2}Br{sub 5} crystal. Black-Right-Pointing-Pointer Electronic structure measurements with XPS. Black-Right-Pointing-Pointer Optical crystalline surface fabrication. - Abstract: The RbPb{sub 2}Br{sub 5} crystal has been grown by Bridgman method. The electronic structure of RbPb{sub 2}Br{sub 5} has been measured with XPS for a powder sample. High chemical stability of RbPb{sub 2}Br{sub 5} surface is verified by weak intensity of O 1s core level recorded by XPS and structural RHEED measurements. Chemical bonding effects have been observed by the comparative analysis of element core levels and crystal structure of RbPb{sub 2}Br{sub 5} and several rubidium- and lead-containing bromides using binding energy difference parameters {Delta}{sub Rb} = (BE Rb 3d - BE Br 3d) and {Delta}{sub Pb} = (BE Pb 4f{sub 7/2} - BE Br 3d).

  12. Photocatalytic and photoelectrochemical performance of Ta{sub 3}N{sub 5} microcolumn films fabricated using facile reactive sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Der-Hwa [Department of Materials Science and Engineering, National Cheng Kung University, No. 1 University Road, Tainan City 70101, Taiwan (China); Chang, Kao-Shuo, E-mail: kschang@mail.ncku.edu.tw [Department of Materials Science and Engineering, National Cheng Kung University, No. 1 University Road, Tainan City 70101, Taiwan (China); Promotion Center for Global Materials Research, National Cheng Kung University, No. 1 University Road, Tainan City 70101, Taiwan (China)

    2016-08-21

    This paper presents the photocatalytic and photoelectrochemical (PEC) properties of Ta{sub 3}N{sub 5} microcolumn films. The highlights include (1) overcoming the fundamental barrier of standard reactive sputtering for fabricating microcolumns; (2) preventing unnecessary complexity from complicating facile sputtering; (3) an alternative but effective approach for fabricating Ta{sub 3}N{sub 5} without using caustic NH{sub 3} gases; (4) investigating morphology tuning for favorable photocatalysis and PEC reactions; and (5) elucidating the relationships of the structures, morphologies, and properties of Ta{sub 3}N{sub 5} microcolumns. High-resolution transmission electron microscopy and selective-area electron diffraction verified the polycrystallinity of Ta{sub 3}N{sub 5} microcolumns, of which the elemental compositions and stoichiometry were measured using electron-probe energy dispersive spectroscopy, Auger electron spectroscopy, and X-ray photoelectron spectroscopy. The corresponding band gap was determined to be approximately 2.1 eV. The sample exhibited a superior photodegradation capability; the photodegradation rate constant k was determined to be approximately 1.4 times higher than that of P25 under UV irradiation. A photocatalytic and PEC cycling test indicated the photodegradation reusability and photostability of the Ta{sub 3}N{sub 5} microcolumns. The incident photon-to-current efficiency performance reached 6%, suggesting that these microcolumns hold potential for application in PEC devices.

  13. Magnetic structure and physical properties of the multiferroic compound PrMn{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Doubrovsky, C. [Laboratoire de Physique des Solides, Universite Paris-Sud, CNRS-UMR 8502, 91405 Orsay Cedex (France); Andre, G. [Laboratoire Leon Brillouin, CEA-CNRS UMR 12, 91191 Gif-sur-Yvette Cedex (France); Bouquet, F. [Laboratoire de Physique des Solides, Universite Paris-Sud, CNRS-UMR 8502, 91405 Orsay Cedex (France); Elkaim, E. [Soleil Synchrotron, 91191 Gif-sur-Yvette Cedex (France); Li, M.; Greenblatt, M. [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ 08854 (United States); Foury-Leylekian, P., E-mail: pascale.foury@u-psud.fr [Laboratoire de Physique des Solides, Universite Paris-Sud, CNRS-UMR 8502, 91405 Orsay Cedex (France)

    2012-06-01

    RMn{sub 2}O{sub 5} (R=lanthanide, Bi, Y) multiferroic compounds are intensively studied for their potential application in the spintronic field. In these systems, the key issue is to understand the origin of the strong coupling between the ferroelectric and magnetic orders and to investigate the influence of the nature of the R ions in this coupling. While the phase diagram of RMn{sub 2}O{sub 5} compounds with small R size is well established, this of large R size compounds is missing due to the lack of samples originating with difficulties of synthesis. We present in this paper the first investigation of the thermodynamic, structural and magnetic properties of high quality polycrystalline PrMn{sub 2}O{sub 5} samples. Our work shows that PrMn{sub 2}O{sub 5} presents two magnetic transitions corresponding to commensurate magnetic orderings. We also evidence a weak lattice effect coupled to the magnetic order. Our results point out that the physical properties of PrMn{sub 2}O{sub 5} differ from those of the parent compounds with magnetic R ions.

  14. Enhanced surface transfer doping of diamond by V{sub 2}O{sub 5} with improved thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Crawford, Kevin G., E-mail: k.crawford.2@research.gla.ac.uk; Moran, David A. J. [School of Engineering, University of Glasgow, Glasgow G12 8LT (United Kingdom); Cao, Liang [High Magnetic Field Laboratory, Chinese Academy of Sciences, 350 Shushanhu Road, Hefei 230031, Anhui (China); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore, Singapore 117542 (Singapore); Qi, Dongchen, E-mail: d.qi@latrobe.edu.au [Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria 3086 (Australia); Tallaire, Alexandre [LSPM-CNRS, Université Paris 13, Villetaneuse 93430 (France); Limiti, E.; Verona, C. [Department of Industrial Engineering, “Tor Vergata” University, Rome 00173 (Italy); Wee, Andrew T. S. [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore, Singapore 117542 (Singapore)

    2016-01-25

    Surface transfer doping of hydrogen-terminated diamond has been achieved utilising V{sub 2}O{sub 5} as a surface electron accepting material. Contact between the oxide and diamond surface promotes the transfer of electrons from the diamond into the V{sub 2}O{sub 5} as revealed by the synchrotron-based high resolution photoemission spectroscopy. Electrical characterization by Hall measurement performed before and after V{sub 2}O{sub 5} deposition shows an increase in hole carrier concentration in the diamond from 3.0 × 10{sup 12} to 1.8 × 10{sup 13 }cm{sup −2} at room temperature. High temperature Hall measurements performed up to 300 °C in atmosphere reveal greatly enhanced thermal stability of the hole channel produced using V{sub 2}O{sub 5} in comparison with an air-induced surface conduction channel. Transfer doping of hydrogen-terminated diamond using high electron affinity oxides such as V{sub 2}O{sub 5} is a promising approach for achieving thermally stable, high performance diamond based devices in comparison with air-induced surface transfer doping.

  15. Development of a high-performance nanostructured V(sub2)O(sub5)/SnO(sub2)catalyst for efficient benzene hydroxylation

    CSIR Research Space (South Africa)

    Makgwane, PR

    2015-02-01

    Full Text Available Nanostructured vanadium-tin oxide (V(sub2)O(sub5)/SnO(sub2)) catalysts with V(sub2)O(sub5) loading in a range of 5–20 wt% have been synthesized. The V(sub2)O(sub5)/SnO(sub2) nanostructures exhibited effective catalytic performance...

  16. Yb{sup 3+}:Sr{sub 5}(VO{sub 4}){sub 3}F: Crystal growth, spectroscopic characterization and laser development; Yb{sup 3+}:Sr{sub 5}(VO{sub 4}){sub 3}F: Crescimento, caracterizacao espectroscopica e desenvolvimento do laser

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, Andrea Nora Pino

    1999-07-01

    Crystal growth, spectroscopic characterization and laser development of Yb{sup 3+}:SVAP [Sr{sub 5}(VO{sub 4}){sub 3}F] was performed to demonstrate for the first time, operation of tunable laser emission centered at 1120 nm. Initially, SVAP crystals were grown with high dopant concentrations, up to 6.0 mol % of Yb{sub 2} O{sub 3} in the melt, in order to investigate the material for potential laser operation at a new laser wavelength. Additional research was performed to alleviate highly doped SVAP crystals of defects previously observed. Basic spectroscopic characterization including absorption and luminescent properties were measured to better understand the behavior of Yb{sup 3+} ions in SVAP. Based upon these studies, discussion of the 1120 nm laser transition is presented as it arises from a ground state vibrational level. Investigations of the charge compensation process and the optical parameters as a function of dopant concentration are also presented. The laser development of Yb{sup 3+}:SVAP included continuous and pulsed modes of operation of the 1044 nm and 1120 nm transitions. Initial laser action of the 1044 nm transition was achieved using a Yi: Saphire laser pump source in order to compare with previously results. Further development of a diode-pumped Yb{sup 3+}:SVAP laser system demonstrated continuously tunable laser operation from 1103 nm for the first time. The laser investigations also proved that this high gain media does provide continuous wave laser action at 1044 nm and 1120 simultaneously without significant gain depletion. (author)

  17. Moessbauer studies of the LiAl sub(5-x) Fe sub(x) O8 and LiGa sub(5-x) Fe sub(x) O8 systems

    International Nuclear Information System (INIS)

    Barthem, V.M.T.S.; Maria Neto, J.; Souza Barros, F. de

    1982-01-01

    Comparative Moessbauer studies of the LiGa sub(5-x) Fe sub(x) O 8 and LiAl sub(5-x) Fe sub(x) O 8 systems are shown. The characteristics of the Moessbauer spectra, obtained with LiGa 5 O 8 samples with 0,1% of Fe 3+ , differ drastically from that observed with LiAl 5 O 8 with the same three-valent iron concentration. All these differences are related to the more covalent character of the gallium-oxygen binding, when compared with the aluminium-oxygen one. (L.C.) [pt

  18. Synthesis and crystal structure of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Baer, Sebastian A.; Kraus, Florian [Department Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747 Garching (Germany); Lozinsek, Matic [Department of Inorganic Chemistry and Technology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

    2013-07-01

    [Sr(HF){sub 3}(TaF{sub 6}){sub 2}] reacts with liquid ammonia under the formation of colorless crystals of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}] (1). The structure was elucidated by low-temperature X-ray structure analysis. Compound 1 crystallizes in the monoclinic space group P2{sub 1}/c with a = 5.1525(6), b = 11.736(1), c = 10.171(1) Aa, β = 94.843(9) , V = 612.8(1) Aa{sup 3} at 123 K with Z = 4. Its structure displays discrete TaF{sub 5}(NH{sub 3}){sub 3} molecules, which are interconnected by N-H..F hydrogen bonds to form a complex three-dimensional network. The title compound is a rare example of a neutral, molecular, eight-coordinate tantalum species. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Hydrothermal synthesis, characterization, and luminescence of Ca{sub 2}B{sub 2}O{sub 5}:RE (RE = Eu{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li; Wan, Yingpeng; Li, Yuze; Pu, Yinfu; Huang, Yanlin, E-mail: huang@suda.edu.cn [Soochow University, State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science (China); Chen, Cuili; Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Pukyong National University, Department of Physics and Interdisciplinary Program of Biomedical Engineering (Korea, Republic of)

    2016-04-15

    Ca{sub 2}B{sub 2}O{sub 5}:RE (RE = Eu{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) nanofibers were synthesized by the hydrothermal reaction method. The structural refinement was conducted on the base of the X-ray powder diffraction (XRD) measurements. The surface properties of the Ca{sub 2}B{sub 2}O{sub 5}:RE (RE = Eu{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) nanofibers were investigated by the measurements such as the scanning electron microscope (SEM), transmission electron microscope (TEM), and the energy dispersive spectrum (EDS). The nanofiber has a diameter of about 100 nm and a length of several micrometers. The luminescence properties such as photoluminescence excitation (PLE) and emission spectra (PL), decay lifetime, color coordinates, and the absolute internal quantum efficiency (QE) were reported. Ca{sub 2}B{sub 2}O{sub 5}:Eu{sup 3+} nanofibers show the red luminescence with CIE coordinates of (x = 0.41, y = 0.51) and the luminescence lifetime of 0.63 ms. The luminescence of Ca{sub 2}B{sub 2}O{sub 5}:Tb{sup 3+} nanofibers is green color (x = 0.29, y = 0.53) with the lifetime of 2.13 ms. However, Dy{sup 3+}-doped Ca{sub 2}B{sub 2}O{sub 5} nanofibers present a single-phase white-color phosphor with the fluorescence decay of 3.05 ms. Upon near-UV excitation, the absolute quantum efficiency is measured to be 65, 35, and 37 % for Eu{sup 3+}-, Tb{sup 3+}-, Dy{sup 3+}-doped Ca{sub 2}B{sub 2}O{sub 5} nanofibers, respectively. It is suggested that Ca{sub 2}B{sub 2}O{sub 5}:RE (RE = Eu{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) nanofibers could be an efficient phosphor for lighting and display.

  20. Investigating the effect of V{sub 2}O{sub 5} addition on sodium barium borosilicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Halder, Rumu, E-mail: rumuhalder24feb@gmail.com; Sengupta, Pranesh; Dey, G. K. [Materials Science Division, Bhabha Atomic Research Centre, Mumbai-700 085 (India); Sudarsan, V. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai-700 085 (India); Kaushik, C. P. [Waste Management Division, Bhabha Atomic Research Centre, Mumbai-700 085 (India)

    2016-05-23

    V{sub 2}O{sub 5} doped sodium barium borosilicate glasses were characterized by photoluminescence spectroscopy and electron probe microanalyzer (EPMA). The glass remains homogeneous for lower concentration of V{sub 2}O{sub 5} but a phase separation is observed when V{sub 2}O{sub 5} doping is increased beyond 5 mol%. Detailed microanalysis reveals that the phase separated glass consists of a phase containing V, Ba and Si and a separate Si rich phase within the glass matrix. The luminescence study demonstrated that at low concentration the vanadium mainly interacts with the structural units of B/Si while at higher concentrations, V-O-V/ V-O{sup −} Na{sup +}/Ba{sup 2+} linkages are formed.

  1. Rayleigh scattering of Moessbauer radiation in superionic conductor RbAg/sub 4/I/sub 5/

    Energy Technology Data Exchange (ETDEWEB)

    Ovanesyan, N.S.; Goffman, V.G.; Sokolov, V.B.; Tkachev, V.V. (AN SSSR, Chernogolovka. Otdelenie Inst. Khimicheskoj Fiziki)

    1984-04-01

    The dynamical properties of RbAg/sub 4/I/sub 5/ has been investiaated by Rayleigh scattering of Moessbauer radiation (RSMR) with wave-length lambda = 0.86 A. The character of Ag/sup +/ ion oscillatory motion and diffusion in RbAg/sub 4/I/sub 5/ depending on temperature including the phase transitions region is studied. It is shown that in the superionic crystal RbAg/sub 4/I/sub 5/ the diffusion process is strongly correlated, i.e. a great number of initial and final states at diffusion jumps coincide. The observed broadening can be less than the expected one by value orders. Diffusion correlation can strongly reduce the activation barrier and lead to anomalously high ionic conduction.

  2. Synthesis and characterization of polycrystalline brownmillerite cobalt doped Ca{sub 2}Fe{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Dhankhar, Suchita; Baskar, K.; Singh, Shubra, E-mail: shubra6@gmail.com [Crystal Growth Centre, Anna University, Chennai-600 025 (India); Bhalerao, Gopal [UGC-DAE CSR Kalpakkam node, Kalpakkam-603104 (India)

    2016-05-23

    Brownmillerite compounds with general formula A{sub 2}BB’O{sub 5} (BB’ = Mn, Al, Fe, Co) have attracted attention in wide range of applications such as in solid oxide fuel cell, oxygen separation membrane and photocatalysis. Brownmillerite compounds have unique structure with alternate layers of BO{sub 6} octahedral layers and BO{sub 4} tetrahedral layers. Presence of dopants like Co in place of Fe increases oxygen vacancies. In the present work we have synthesized polycrystalline Ca{sub 2}Fe{sub 2}O{sub 5} and Ca{sub 2}Fe{sub 1-x}Co{sub x}O{sub 5} (x = 0.01, 0.03) by citrate combustion route. The as prepared samples were characterized by XRD using PANalytical X’Pert System, DRS (Diffuse reflectance spectroscopy) and SEM (Scanning electron microscopy).

  3. Synthesis and characterization of (Lu{sub 1−x−y}Y{sub x}Ce{sub y}){sub 2}SiO{sub 5} luminescent powders with fast decay time

    Energy Technology Data Exchange (ETDEWEB)

    Aburto-Crespo, M. [Programa de Posgrado en Física de Materiales CICESE-UNAM, Km. 107 Carretera Tij-Ens, Ensenada, B. C. 22860, México (Mexico); Hirata, G.A., E-mail: hirata@cnyn.unam.mx [Centro de Nanociencias y Nanotecnología-Universidad Nacional Autónoma de México, Km. 107 Carretera Tijuana-Ensenada, Ensenada, B. C. 22860, México (Mexico); McKittrick, J. [University of California at San Diego, La Jolla, CA 92093-0411 (United States)

    2013-04-15

    The structural and luminescent properties of blue-emitting (Lu{sub 1−x−y}Y{sub x}Ce{sub y}){sub 2}SiO{sub 5} (0.1≤x≤0.4, y=0.05, 0.005) phosphors prepared by combustion synthesis and post-annealed at 1200 °C for different annealing times are reported. X-ray diffraction analysis revealed the formation of a (Lu,Y){sub 2}SiO{sub 5} solid solution as a majority phase with small traces of a residual phase that was identified as Lu{sub 2}SiO{sub 7}. Under long-UV excitation, the powders yield a very bright blue-emission consisting of two bands with maximum emissions located at λ=405 nm and λ=440 nm, both corresponding to the Ce{sup 3+} allowed transitions {sup 2}D{sub 3/2}→{sup 2}F{sub 5/2} and {sup 2}D{sub 5/2}→{sup 2}F{sub 7/2}, respectively. Moreover, luminescence decay times of 38–45 ns were measured, which depend on the composition, making these powders excellent candidates for application as scintillators in medical imaging. -- Highlights: ► A facile technique to fabricate (Lu,Y)-oxyorthosilicate nanophosphors is presented. ► The structural and excellent luminescent properties including excitation, emission and short decay times are reported. ► The Ce-doped oxyorthosilicates nanophosphors present a fast decay time of the order of 38–45 ns.

  4. Stability and isomerization reactions of phenyl cation C{sub 6}H{sub 5}{sup +} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Dandan [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yang, Xue [College of Science, Jilin Institute of Chemical Technology, Jilin 132022 (China); Zhang, Xiaomei; Shan, Shimin [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Xu, Haifeng, E-mail: xuhf@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yan, Bing, E-mail: yanbing@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China)

    2016-03-01

    Highlights: • A total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations were obtained at density functional theory. • The stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers were performed. • The structures, frequencies, thermodynamic properties of isomers were summarized. • Ring to ring or chain isomerization pathways were investigated using IRC method. • Result shows reactions contain hydrogen transfer, bond broken and reconstruction. - Abstract: As a key polyatomic molecular cation that plays a pivotal role in growth of the polycyclic aromatic hydrocarbons, phenyl cation C{sub 6}H{sub 5}{sup +} exhibits various isomers and isomerization reactions. Investigation on the structure and stability of the isomers as well as the isomerization is important for better understanding the chemical reactions involving C{sub 6}H{sub 5}{sup +} cations. In this work, we have performed a theoretical study on the stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers at density functional theory B3LYP/6-311G (d, p) level. We have obtained a total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations, most of which are reported for the first time. The geometries, vibrational frequencies, thermodynamic properties and stability of 28 out of 60 isomers have been summarized in detail. Different ring-to-ring and ring-to-chain isomerization pathways, which are connected via 28 transition states, have been investigated using the intrinsic reaction coordinate method. The results show that the isomerization reactions occur via hydrogen migration followed by bond-breaking and reconstruction.

  5. High-performance supercapacitors based on intertwined CNT/V{sub 2}O{sub 5} nanowire nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Zheng; Shen, Meiqing [School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072 (China); Augustyn, Veronica; Dunn, Bruce [Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Wen, Jing; Zhang, Yuewei [Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA 90095 (United States); School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072 (China); Lu, Yunfeng [Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA 90095 (United States)

    2011-02-08

    High-performance asymmetric super-capacitors containing thick-film electrodes (over 100 {mu}m thick) made of CNT/V{sub 2}O{sub 5} nanowire composite are designed. The excellent conductivity, high specific capacitance, and a large voltage window of the CNT/V{sub 2}O{sub 5} nanocomposite enable the fabrication of devices with high energy and high power densities. Moreover, the resulting devices exhibit excellent cycling stability. This supercapacitor approach may be attractive for a wide range of device applications. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Low cost AB{sub 5}-type hydrogen storage alloys for a nickel-metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Lijun [General Res. Inst. for Non-Ferrous Metals, Beijing (China); Zhan Feng [General Res. Inst. for Non-Ferrous Metals, Beijing (China); Bao Deyou [General Res. Inst. for Non-Ferrous Metals, Beijing (China); Qing Guangrong [General Res. Inst. for Non-Ferrous Metals, Beijing (China); Li Yaoquan [General Res. Inst. for Non-Ferrous Metals, Beijing (China); Wei Xiuying [General Res. Inst. for Non-Ferrous Metals, Beijing (China)

    1995-12-15

    The studies have been carried out on utilizing Ml(NiAl){sub 5}-based alloys as a low cost negative battery electrode. The replacement of nickel by copper improved the cycle lifetime to some extent without a decrease in capacity. Using Ml(NiAlCu){sub 5} alloys, hydrogen storage alloys with good overall characteristics and low cost were obtained through substituting cobalt or silicon for nickel. The discharge capacity was further increased by increasing the lanthanum content in lanthanum-rich mischmetal. (orig.)

  7. Radiometric analysis of P/sub 2/O/sub 5/ content in phosphorites from common radioactivity

    Energy Technology Data Exchange (ETDEWEB)

    Belyakov, M A; Anderzhanov, V N; Ermolaeva, G M [Gosudarstvennyj Nauchno-Issledovatel' skij Inst. Gornokhimicheskogo Syr' ya, Moscow (USSR)

    1983-01-01

    A radiometric analysis of P/sub 2/O/sub 5/ content in phosphorites from natural radioactivity is described. A correlation between contents of phosphorus and uranium in phosphorites is a principle of the method. Potassium and thorium are interfering elements. Total radioactivity is proposed to be measured in the 0.1 to 0.6 MeV gamma radiation channel. Measurements in the channel provide a decrease in the potassium and thorium contributions to the total radioactivity, which increases an accuracy of P/sub 2/O/sub 5/ quantitative determination.

  8. Valence band electronic structure of Nb{sub 2}Pd{sub 1.2}Se{sub 5} and Nb{sub 2}Pd{sub 0.95}S{sub 5} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

    2017-03-15

    We present a comparative study of our valence band photoemission results on Nb{sub 2}Pd{sub 1.2}Se{sub 5} and Nb{sub 2}Pd{sub 0.95}S{sub 5} superconductors which are supported by our DFT based electronic structure calculations. We observe that the VB spectra of both the compounds are qualitatively similar, except for some slight differences in the binding energy positions of all the features. This could be due to the unequal electronegativities of Se and S atom. The calculated density of states (DOS) reveals that the VB features are mainly composed of Pd-Se/S hybridized states. The nature of DOS originating from the distinctly coordinated Pd atoms is different. Further, various Pd-4d and Nb-4d states crossing the Fermi level (E{sub f}) signifies the multiband character of these compounds. In addition, we find a temperature dependent pseudogap in Nb{sub 2}Pd{sub 0.95}S{sub 5} which is absent in Nb{sub 2}Pd{sub 1.2}Se{sub 5}.

  9. Hydrazinium(1+) hexafluorotitanate(IV), 2N[sub 2]H[sub 5][sup +]. TiF[sub 6][sup 2-]. [N[sub 2]H[sub 5]TiF[sub 6

    Energy Technology Data Exchange (ETDEWEB)

    Leban, I. (Dept. of Chemistry and Chemical Technology, Univ. Ljubljana (Slovenia))

    1994-06-15

    The crystals exhibit racemic twinning. The structure consists of hydrazinium(1+), N[sub 2]H[sub 5][sup +], cations and usual octahedral hexafluorotitanate(IV) anions. They are linked together via hydrogen bonds of the types N-H..F and N-H..N. (orig.).

  10. Anisotropy of superconducting transformation in magnetic fields in Nd sub 1 sub . sub 8 sub 5 Ce sub 0 sub . sub 1 sub 5 CuO sub 4 monocrystal

    CERN Document Server

    Panova, G K; Chernoplekov, N A; Emelchenko, G A; Malyuk, A N; Lin, S T

    2002-01-01

    The anisotropy of the superconducting properties of the Nd sub 1 sub . sub 8 sub 5 Ce sub 0 sub . sub 1 sub 5 CuO sub 4 monocrystal is studied by resistance within the temperature range of 2-30 K in the 0, 1, 2, 4, 6 Tl magnetic fields in the a-b plane. The T sub c (H) and H sub c sub 2 (T) strong anisotropy was observed by the magnetic field different orientation in the a-b plane. The zero direction in the gap of the order parameter is determined. The analysis of the experimental data shows, that such a result may be related to the change in the symmetry in the copper atoms surrounding, leading to its reduction from the tetragonal to orthorhombic one in the low-temperature area. The comparison with the La sub 1 sub . sub 8 sub 5 Sr sub 0 sub . sub 1 sub 5 CuO sub 4 gives all grounds to suppose, that the superconductivity mechanism in the electron- and hole-doped superconductor is similar and the observed difference is connected with the structure peculiarities

  11. Temperature-dependent surface porosity of Nb{sub 2}O{sub 5} under high-flux, low-energy He{sup +} ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Novakowski, T.J., E-mail: tnovakow@purdue.edu; Tripathi, J.K.; Hosinski, G.M.; Joseph, G.; Hassanein, A.

    2016-01-30

    Graphical abstract: - Highlights: • Nb{sub 2}O{sub 5} surfaces are nanostructured with a novel He{sup +} ion irradiation process. • High-flux, low energy He{sup +} ion irradiation generates highly porous surfaces. • Top-down approach guarantees good contact between different crystallites. • Sample annealing demonstrates temperature effect on surface morphology. • Surface pore diameter increases with increasing temperature. - Abstract: The present study reports on high-flux, low-energy He{sup +} ion irradiation as a novel method of enhancing the surface porosity and surface area of naturally oxidized niobium (Nb). Our study shows that ion-irradiation-induced Nb surface micro- and nano-structures are highly tunable by varying the target temperature during ion bombardment. Mirror-polished Nb samples were irradiated with 100 eV He{sup +} ions at a flux of 1.2 × 10{sup 21} ions m{sup −2} s{sup −1} to a total fluence of 4.3 × 10{sup 24} ions m{sup −2} with simultaneous sample annealing in the temperature range of 773–1223 K to demonstrate the influence of sample temperature on the resulting Nb surface morphology. This surface morphology was primarily characterized using field-emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM). Below 923 K, Nb surfaces form nano-scale tendrils and exhibit significant increases in surface porosity. Above 923 K, homogeneously populated nano-pores with an average diameter of ∼60 nm are observed in addition to a smaller population of sub-micron sized pores (up to ∼230 nm in diameter). Our analysis shows a significant reduction in surface pore number density and surface porosity with increasing sample temperature. High-resolution ex situ X-ray photoelectron spectroscopy (XPS) shows Nb{sub 2}O{sub 5} phase in all of the ion-irradiated samples. To further demonstrate the length scales in which radiation-induced surface roughening occurs, optical reflectivity was performed over a spectrum of

  12. Tl{sub 2}LaCl{sub 5} (Ce{sup 3+}): New fast and efficient scintillator for X- and γ-ray detection

    Energy Technology Data Exchange (ETDEWEB)

    Kim, H.J., E-mail: hongjoo@knu.ac.kr [Department of Physics, Kyungpook National University, Daegu 41566 (Korea, Republic of); Rooh, Gul [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); Kim, Sunghwan [Department of Radiological Science, Cheongju University, Cheongju 41566 (Korea, Republic of)

    2017-06-15

    Scintillation properties of the new Tl{sub 2}LaCl{sub 5}: xCe{sup 3+} where x=0, 0.5, 1 and 10 mol % (TLC: Ce{sup 3+}) single crystals are presented. Two zones vertical Bridgman technique is used for the growth of this scintillation material. High Z-number (79) of this material offer excellent detection efficiency for X- and γ-rays. Grown samples are characterized under X- and γ-rays excitation in order to find the emission wavelength, energy resolution, light yield, and decay time. Emission spectra exhibit Ce{sup 3+} emission bands between 350–550 nm and peaking at 389 nm. The obtained energy resolution and light yield increases with high Ce-concentration. Energy resolution and light yield of 10%Ce-doped sample are found to be 6.9% (FWHM) and 51,000±5000 ph/MeV, respectively at room temperature. For the grown samples, two exponential decay time constants are found. The measured decay time constants showed variation in their values with respect to Ce-concentrations in the host crystal. Fast decay time constant of 31 ns with 87% light emission is found for 10%Ce sample. Scintillation results suggested that TLC will be one of the promising next generation scintillator for the medical imaging techniques such as Positron Emission Tomography (PET).

  13. Cracks growth behaviors of commercial pure titanium under nanosecond laser irradiation for formation of nanostructure-covered microstructures (with sub-5-μm)

    Science.gov (United States)

    Pan, A. F.; Wang, W. J.; Mei, X. S.; Zheng, B. X.; Yan, Z. X.

    2016-11-01

    This study reported on the formation of sub-5-μm microstructures covered on titanium by cracks growth under 10-ns laser radiation at the wavelength of 532 nm and its induced light modification for production of nanostructures. The electric field intensity and laser power density absorbed by commercial pure titanium were computed to investigate the self-trapping introduced by cracks and the effect of surface morphology on laser propagation characteristics. It is found that nanostructures can form at the surface with the curvature radius below 20 μm. Meanwhile, variable laser fluences were applied to explore the evolution of cracks on commercial pure titanium with or without melt as spot overlap number increased. Experimental study was first performed at the peak laser fluence of 1.063 J/cm2 to investigate the microstructures induced only by cracks growth. The results demonstrated that angular microstructures with size between 1.68 μm and 4.74 μm was obtained and no nanostructure covered. Then, at the peak laser fluence of 2.126 J/cm2, there were some nanostructures covered on the melt-induced curved microstructured surface. However, surface molten material submerged in the most of cracks at the spot overlap number of 744, where the old cracks disappeared. The results indicated that there was too much molten material and melting time at the peak laser fluence of 2.126 J/cm2, which was not suitable for obtainment of perfect micro-nano structures. On this basis, peak laser fluence was reduced down to 1.595 J/cm2 and the sharp sub-5 μm microstructures with nanostructures covered was obtained at spot overlap number of 3720.

  14. Low-temperature synthesis, phonon and luminescence properties of Eu doped Y{sub 3}Al{sub 5}O{sub 12} (YAG) nanopowders

    Energy Technology Data Exchange (ETDEWEB)

    Mączka, M., 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); Bednarkiewicz, A. [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Mendoza-Mendoza, E.; Fuentes, A.F. [Cinvestav Unidad Saltillo, Apartado Postal 663, 25000 Saltillo, Coahuila (Mexico); Kępiński, L. [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland)

    2014-02-14

    This contribution presents two simple and cost-effective routes for the low-temperature and large-scale production of pure and Eu-doped Y{sub 3}Al{sub 5}O{sub 12} (yttrium aluminum garnet YAG) nanopowders. The proposed methodologies combine a mechanically assisted metathesis reaction or coprecipitation from solution followed by crystallization of the obtained precursors from molten sodium nitrate/nitrite. Both procedures allow obtaining pure and/or doped YAG nanopowders at remarkably low temperatures, i.e. already at 350 °C although firing at 500 °C is needed in order to get single phase and fully crystalline materials. As-obtained samples were characterized by XRD, TEM, Raman, IR and luminescence methods. These methods showed that the mean crystallite size is near 23–31 and 51 nm, when crystallization is performed from the amorphous precursor obtained by a mechanically assisted metathesis reaction and coprecipitation, respectively. Raman and IR spectra indicated better crystallinity of the powders prepared at 500 °C. The emission study showed that the intensity ratio between hypersensitive {sup 5}D{sub 0} → {sup 7}F{sub 2} and magnetic-dipole {sup 5}D{sub 0} → {sup 7}F{sub 1} transitions of Eu{sup 3+} is significantly larger than expected for well-crystallized YAG. Origin of this behavior is discussed. - Highlights: • Nanoparticles of Y{sub 3}Al{sub 5}O{sub 12} (YAG) and YAG:Eu{sup 3+} have been prepared at remarkable 350 °C. • Metathesis/molten salts and coprecipitation/molten salts methods were used. • Metathesis/molten salts method is suitable for preparation of rare-earth doped YAG. • Emission properties of YAG:Eu{sup 3+} are significantly different from bulk YAG.

  15. Disorder in Ag{sub 7}GeSe{sub 5}I, a superionic conductor: temperature-dependent anharmonic structural study

    Energy Technology Data Exchange (ETDEWEB)

    Albert, S.; Pradel, A.; Ribes, M. [CNRS Montpellier Univ., 34 (France). Inst. Charles Gerhardt Montpellier; Pillet, S.; Lecomte, C. [CNRS Nancy Univ., 54 - Vandoeuvre-les-Nancy (France). Lab. de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques

    2008-02-15

    A temperature-dependent structural investigation of the substituted argyrodite Ag{sub 7}GeSe{sub 5}I has been carried out on a single crystal from 15 to 475 K, in steps of 50 K, and correlated to its conductivity properties. The argyrodite crystallizes in a cubic cell with the F anti 43m space group. The crystal structure exhibits high static and dynamic disorder which has been efficiently accounted for using a combination of (i) Gram- Charlier development of the Debye-Waller factors for iodine and silver, and (ii) a split-atom model for Ag{sup +} ions. An increased delocalization of the mobile d{sup 10} Ag{sup +} cations with temperature has been clearly shown by the inspection of the joint probability-density functions; the corresponding diffusion pathways have been determined. (orig.)

  16. Ab initio study of radiation effects on the Li{sub 4}Ti{sub 5}O{sub 12} electrode used in lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Samin, Adib, E-mail: Samin.2@osu.edu, E-mail: cao.152@osu.edu; Kurth, Michael; Cao, Lei, E-mail: Samin.2@osu.edu, E-mail: cao.152@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19" t" h Avenue, Columbus, Ohio 43210 (United States)

    2015-04-15

    Lithium-ion batteries are currently in wide use owing to their high energy density and enhanced capabilities. Li{sub 4}Ti{sub 5}O{sub 12} is a promising anode material for lithium-ion batteries because of its advantageous properties. Lithium-ion batteries could be exposed to radiation occurring in various conditions such as during outer space exploration and nuclear accidents. In this study, we apply density functional theory to explore the effect of radiation damage on this electrode and, ultimately, on the performance of the battery. It was found that radiation could affect the structural stability of the material. Furthermore, the electrode was shown to undergo a transition from insulator to metal, following the defects due to radiation. In addition, the effect of radiation on the intercalation potential was found to be highly dependent on the nature of the defect induced.

  17. High-performance supercapacitors based on nanocomposites of Nb{sub 2}O{sub 5} nanocrystals and carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaolei; Chen, Zheng; Lu, Yunfeng [Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA (United States); Li, Ge [Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA (United States); Department of Physics, East China Normal University, Shanghai (China); Augustyn, Veronica; Dunn, Bruce [Department of Material Science and Engineering, University of California, Los Angeles, CA (United States); Ma, Xueming [Department of Physics, East China Normal University, Shanghai (China); Wang, Ge [School of Materials Science and Engineering, University of Science and Technology, Beijing (China)

    2011-11-15

    Nanocomposites of CNTs and Nb{sub 2}O{sub 5} nanocrystals were fabricated exhibiting excellent conductivity, high specific capacitance, and large voltage window, which led to successful fabrication of asymmetric supercapacitors with high energy densities, power densities, and cycling stability. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Pressure-induced superconductivity of Ce{sub 2}Ni{sub 3}Ge{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Nakashima, M. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan) and Research Center for Materials Science at Extreme Conditions, Osaka University, Toyonaka, Osaka 560-8531 (Japan)]. E-mail: mnaka@crystal.phys.sci.osaka-u.ac.jp; Kohara, H. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Thamizhavel, A. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Matsuda, T.D. [Advanced Science and Industrial Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki, 319-1195 (Japan); Haga, Y. [Advanced Science and Industrial Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki, 319-1195 (Japan); Hedo, M. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Uwatoko, Y. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Settai, R. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Onuki, Y. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan)

    2006-05-01

    The Neel temperature of Ce{sub 2}Ni{sub 3}Ge{sub 5} decreases with increasing pressure P and becomes zero at a critical pressure P{sub c}{approx}4GPa. The heavy fermion state was found to be formed around P{sub c}, in which pressure region superconductivity was found below 0.26K.

  19. Master symmetry in the AdS{sub 5}×S{sup 5} pure spinor string

    Energy Technology Data Exchange (ETDEWEB)

    Chandía, Osvaldo [Departamento de Ciencias, Facultad de Artes Liberales & Facultad de Ingeniería y Ciencias, Universidad Adolfo Ibáñez,Diagonal Las Torres 2640, Peñalolén, Santiago (Chile); III, William Divine Linch [George P. and Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University,College Station, TX 77843-4242 (United States); Vallilo, Brenno Carlini [Departamento de Ciencias Físicas, Universidad Andres Bello,Sazie 2212, Santiago (Chile)

    2017-01-09

    We lift the set of classical non-local symmetries recently studied by Klose, Loebbert, and Münkler in the context of ℤ{sub 2} cosets to the pure spinor description of the superstring in the AdS{sub 5}×S{sup 5} background.

  20. Evaluation of {sup 99m}Tc(CO){sub 5}I as a potential lung perfusion agent

    Energy Technology Data Exchange (ETDEWEB)

    Miroslavov, Alexander E.; Gorshkov, Nikolay I.; Lumpov, Alexander L. [Division of Radiochemical Research, Khlopin Radium Institute, 2nd Murinskii pr. 28, 194021, St Petersburg (Russian Federation); Yalfimov, Anatoly N. [Nuclear Medicine Department, Central Research Institute of Roentgenology and Radiology, Leningradskaya str. 70/4, 197000, St Petersburg (Russian Federation); Suglobov, Dmitrii N. [Division of Radiochemical Research, Khlopin Radium Institute, 2nd Murinskii pr. 28, 194021, St Petersburg (Russian Federation); Ellis, Beverley L. [Department of Nuclear Medicine, Manchester Royal Infirmary, M13 9WL Manchester (United Kingdom)], E-mail: bev.ellis@manchester.ac.uk; Braddock, Rattana; Smith, Anne-Marie [Imaging Science and Biomedical Engineering, School of Cancer and Imaging Science, Stopford Building, The University of Manchester, Oxford Road, Manchester M13 9PT (United Kingdom); Prescott, Mary C.; Lawson, Richard S. [Department of Nuclear Medicine, Manchester Royal Infirmary, M13 9WL Manchester (United Kingdom); Sharma, Harbans L. [Imaging Science and Biomedical Engineering, School of Cancer and Imaging Science, Stopford Building, The University of Manchester, Oxford Road, Manchester M13 9PT (United Kingdom)

    2009-01-15

    Introduction: The use of {sup 99m}Tc-macroggregated albumin for lung perfusion imaging is well established in nuclear medicine. However, there have been safety concerns over the use of blood-derived products because of potential contamination by infective agents, for example, Variant Creutzfeldt Jakob Disease. Preliminary work has indicated that Tc(CO){sub 5}I is primarily taken up in the lungs following intravenous administration. The aim of this study was to evaluate the biodistribution and pharmacokinetics of {sup 99m}Tc(CO){sub 5}I and its potential as a lung perfusion agent. Methods: {sup 99m}Tc(CO){sub 5}I was synthesized by carbonylation of {sup 99m}TcO{sub 4-} at 160 atm of CO at 170 deg. C in the presence of HI for 40 min. Radiochemical purity was determined by HPLC using {sup 99}Tc(CO){sub 5}I as a reference. {sup 99m}Tc(CO){sub 5}I was administered by ear-vein injection to three chinchilla rabbits, and dynamic images were acquired using a gamma camera (Siemens E-cam) over 20 min. Imaging studies were also performed with {sup 99m}Tc-labeled macroaggregated albumin ({sup 99m}Tc-MAA) and {sup 99m}TcO{sub 4-} for comparison. {sup 99m}Tc(CO){sub 5}I was administered intravenously to Sprague-Dawley rats, and tissue distribution studies were obtained at 15 min and 1 h postinjection. Comparative studies were performed using {sup 99m}Tc-MAA. Results: Radiochemical purity, assessed by HPLC, was 98%. The retention time was similar to that of {sup 99}Tc(CO){sub 5}I. The dynamic images showed that 70% of {sup 99m}Tc(CO){sub 5}I appeared promptly in the lungs and remained constant for at least 20 min. In contrast, {sup 99m}TcO{sub 4-} rapidly washed out of the lungs after administration. As expected {sup 99m}Tc-MAA showed 90% lung accumulation. The percentage of injected dose per gram of organ {+-}S.D. at 1 h for {sup 99m}Tc(CO){sub 5}I was as follows: blood, 0.22{+-}0.02; lung, 12.8{+-}2.87; liver, 0.8{+-}0.15; heart, 0.15{+-}0.01; kidney, 0.47{+-}0.08. The

  1. Highly anisotropic SmCo{sub 5} nanoflakes by surfactant-assisted ball milling at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lidong; Zhang, Songlin [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Science, Ningbo 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Science, Ningbo 315201 (China); Zhang, Jian, E-mail: zhangj@nimte.ac.cn [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Science, Ningbo 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Science, Ningbo 315201 (China); Ping Liu, J. [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States); Xia, Weixing; Du, Juan; Yan, Aru [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Science, Ningbo 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Science, Ningbo 315201 (China); Yi, Jianhong [Institute of Material Science and Engineering, Kunming University of Science and Technology, Kunming 650500 (China); Li, Wei; Guo, Zhaohui [Division of Functional Materials, Central Iron and Steel Research Institute, Beijing 100081 (China)

    2015-01-15

    Surfactant-assisted ball milling (SABM) has been shown to be a promising method for preparing rare earth-transition metal (RE-TM) nanoflakes and nanoparticles. In this work, we prepared SmCo{sub 5} nanoflakes by SABM at low temperature, and 2-methyl pentane and trioctylamine were specially selected as solvent and surfactant, respectively, due to their low melting points. The effects of milling temperature on the morphology, microstructure and magnetic performance of SmCo{sub 5} nanoflakes were investigated systematically. Comparing with the samples milled at room temperature, the SmCo{sub 5} nanoflakes prepared at low temperature displayed more homogeneous morphology and lower oxygen content. Remarkably, better crystallinity, better grain alignment and larger remanence ratio were shown in the samples milled at low temperature, which resulted from the distinct microstructure caused by low milling temperature. The differences in structural evolution between the SmCo{sub 5} nanoflakes milled at room temperature and low temperature, including the formation of nanocrystalline, grain boundary sliding, grain rotation, et al., were discussed. It was found that lowering the temperature of SABM was a powerful method for the fabrication of RE-TM nanoflakes, which showed better hard magnetic properties and lower oxygen content. This was important for the preparation of high-performance sintered magnets, bonded magnets and nanocomposite magnets. - Highlights: • We prepare SmCo{sub 5} nanoflakes by surfactant-assisted ball milling at low temperature. • Better grain alignment and higher remanence ratio are achieved. • The oxygen content is reduced by lowering the milling temperature. • A distinct microstructural evolution caused by low milling temperature is clarified.

  2. Studies on Y{sub 2}SiO{sub 5}:Ce phosphors prepared by gel combustion using new fuels

    Energy Technology Data Exchange (ETDEWEB)

    Muresan, L.E., E-mail: laura_muresan2003@yahoo.com [“Raluca Ripan” Institute for Research in Chemistry, Babeş Bolyai University, Fântânele 30, 400294 Cluj-Napoca (Romania); Oprea, B.F.; Cadis, A.I.; Perhaita, I. [“Raluca Ripan” Institute for Research in Chemistry, Babeş Bolyai University, Fântânele 30, 400294 Cluj-Napoca (Romania); Ponta, O. [Faculty of Physics, Babeş Bolyai University, 400084 Cluj-Napoca (Romania)

    2014-12-05

    Highlights: • Y{sub 2}SiO{sub 5}:Ce was prepared by combustion using aspartic or glutamic acid as fuels. • Combustion process occurs differently depending on the fuels amount. • Single phase X2-Y{sub 2}SiO{sub 5} phosphors were obtained in fuel rich conditions. • PL measurements indicate that aspartic acid is a better fuel than glutamic. • Optimal preparative conditions were established for synthesis of Y{sub 2}SiO{sub 5}:Ce. - Abstract: Cerium activated yttrium silicate (Y{sub 2}SiO{sub 5}:Ce) phosphors were prepared by combustion, using yttrium–cerium nitrate as oxidizer, aspartic or glutamic acid as fuel and TEOS as source of silicon. In this study, aspartic and glutamic acid are used for the first time for the synthesis of Y{sub 2}SiO{sub 5}:Ce phosphors. The fuels molar amount was varied from 0.5 mol to 1.5 mol in order to reveal the thermal behavior of intermediary products (gels and ashes) same as the structural and luminescent characteristics of final products (phosphors). According to thermal analysis correlated with FTIR and XPS investigations, the combustion process occurs differently depending on the fuel amount; unreacted nitrate compounds have been identified in fuel lean conditions and carbonate based compounds along with organic residue in rich fuel conditions. The conversion to well crystallized silicates was revealed by changes of FTIR vibration bands and confirmed by XRD measurements. Based on luminescent spectra, aspartic acid is a better fuel than glutamic acid. A positive effect on the luminescence have been observed for samples fired in air due to complete remove of organic residue. The best luminescence was obtained for combustions with 0.75 mol aspartic acid and 1.25 mol glutamic respectively, fired at 1400 °C for 4 h in air atmosphere.

  3. Linear microstructural features in R{sub 5}(Si,Ge){sub 4}-type alloys: Difficulties in identification

    Energy Technology Data Exchange (ETDEWEB)

    Chumbley, L.S. [Iowa State University, 214 Wilhelm, Ames, IA 50011 (United States); Ames Laboratory, 126 Metals Development, Ames, IA 50011 (United States)], E-mail: chumbley@iastate.edu; Ugurlu, O. [Los Alamos National Laboratory, Mail stop G755, Los Alamos, NM 87544 (United States); McCallum, R.W.; Dennis, K.W.; Mudryk, Y. [Ames Laboratory, 126 Metals Development, Ames, IA 50011 (United States); Gschneidner, K.A.; Pecharsky, V.K. [Iowa State University, 214 Wilhelm, Ames, IA 50011 (United States); Ames Laboratory, 126 Metals Development, Ames, IA 50011 (United States)

    2008-02-15

    A brief review of the current literature concerning compounds based upon the R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} structure reveals that essentially all examined alloys contain 'linear features' similar to those first observed by Szade et al. on the surface of Gd{sub 5}Si{sub 4}, Gd{sub 5}Si{sub 2}Ge{sub 2} and Gd{sub 5}Ge{sub 4} samples. Attempts to characterize these features, using a variety of techniques, have proven to be a difficult task. Rather than becoming clearer and better understood, discrepancies in the reported data have resulted in much confusion. A series of comprehensive experiments involving optical, scanning and transmission electron microscopy, X-ray diffractometry, magnetization, and heat capacity measurements have been performed in an attempt to clarify the situation. These experiments, coupled with a critical examination of published data, allow certain misconceptions and apparent contradictions to be understood and explained. Of major importance is the discovery that the volume fraction of the linear feature present is far lower than what one may estimate on the basis of etched samples. The results of this study support previous data that show the linear features are a second phase of composition R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 3}, and reveal the various difficulties associated with proper identification of this phase due to its small size scale and low volume percentage.

  4. Ultra long single crystalline Na{sub 0.3}V{sub 2}O{sub 5} nanofibers/nanorings synthesized by a facile one pot green approach and their lithium storage behavior

    Energy Technology Data Exchange (ETDEWEB)

    Nagaraju, Ganganagappa, E-mail: nagarajugn@rediffmail.com [Jain University, Bangalore (India). Center for Nano and Material Sciences

    2013-10-15

    In this work, a simple one step hydrothermal method to synthesize Na{sub 0.3}V{sub 2}O{sub 5} nanofibers/nanorings without using any surfactant at 200 Degree-Sign C in 3-5 days is reported. The products were characterized by X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR), UV-Vis spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electrochemical discharge-charge test for lithium ion batteries. XRD patterns showed that, at 200 Degree-Sign C for 2 and 3-4 days, Na{sub 0.3}V{sub 2}O{sub 5.} Bullet 1.5H{sub 2}O belts and Na{sub 0.3}V{sub 2}O{sub 5} nanofibers/rings were formed, respectively. The FTIR spectrum revealed peaks at 1003 and 956 cm{sup -1} assigned respectively to V{sup 5+}=O and V{sup 4+}=O. The UV-Vis spectrum showed maximum absorbance at 404 nm (3.07 eV). TEM analyses revealed a large quantity of fibers 70-100 nm thick and 20-90 {mu}m long, and rings with diameters of ca. 20 Greek-Small-Letter-Mu m and thickness of 70-150 nm. The nanofibers/rings exhibited an initial discharge specific capacity of 182 mAh g{sup -1} and a stabilized capacity of 179 mAh g{sup -1} even after 50 cycles. A possible mechanism for ring formation is discussed. (author)

  5. 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 ...

  6. Unusual broadening of the NIR luminescence of Er{sup 3+}-doped Nb{sub 2}O{sub 5} nanocrystals embedded in silica host: Preparation and their structural and spectroscopic study for photonics applications

    Energy Technology Data Exchange (ETDEWEB)

    Aquino, Felipe Thomaz; Pereira, Rafael R. [Departamento de Química, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Av. Bandeirantes, 3900, CEP 14040-901 Ribeirão Preto, SP (Brazil); Ferrari, Jefferson Luis [Departamento de Química, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Av. Bandeirantes, 3900, CEP 14040-901 Ribeirão Preto, SP (Brazil); Grupo de Pesquisa em Química de Materiais – (GPQM), Departamento de Ciências Naturais, Universidade Federal de São João Del Rei, Campus Dom Bosco, Praça Dom Helvécio, 74, 36301-160 São João Del Rei, MG (Brazil); Ribeiro, Sidney José Lima [Laboratório de Materiais Fotônicos, Instituto de Química, UNESP, Caixa Postal 355, 14801-970 Araraquara, SP (Brazil); Ferrier, Alban; Goldner, Philippe [Chimie-Paristech, Laboratoire de Chimie de la Matière Condensée de Paris, CNRS-UMR 7574, UPMC Univ Paris 06, 11 Rue Pierre et Marie Curie, 75005 Paris (France); and others

    2014-10-15

    This paper reports on the preparation of novel sol-gel erbium-doped SiO{sub 2}-based nanocomposites embedded with Nb{sub 2}O{sub 5} nanocrystals fabricated using a bottom-up method and describes their structural, morphological, and luminescence characterization. To prepare the glass ceramics, we synthesized xerogels containing Si/Nb molar ratios of 90:10 up to 50:50 at room temperature, followed by annealing at 900, 1000, or 1100 °C for 10 h. We identified crystallization accompanying host densification in all the nanocomposites with orthorhombic (T-phase) or monoclinic (M-phase) Nb{sub 2}O{sub 5} nanocrystals dispersed in the amorphous SiO{sub 2} phase, depending on the niobium content and annealing temperature. A high-intensity broadband emission in the near-infrared region assigned to the {sup 4}I{sub 13/2} → {sup 4}I{sub 15/2} transition of the Er{sup 3+} ions was registered for all the nanocomposites. The shape and the bandwidth changed with the Nb{sub 2}O{sub 5} crystalline phase, with values achieving up to 81 nm. Er{sup 3+} ions were located mainly in Nb{sub 2}O{sub 5}-rich regions, and the complex structure of the different Nb{sub 2}O{sub 5} polymorphs accounted for the broadening in the emission spectra. The materials containing the T-phase, displayed higher luminescence intensity, longer {sup 4}I{sub 13/2} lifetime and broader bandwidth. In conclusion, these nanostructured materials are potential candidates for photonic applications like optical amplifiers and WDM devices operating in the S, C, and L telecommunication bands. - Highlights: • Rare earth doped Nb{sub 2}O{sub 5} nanocrystals prepared from a bottom-up approach. • Unusual broadband NIR emission in glass ceramic system. • Structural features tuning the luminescence properties. • Potential as optical amplifiers and WDM devices. • Photonic devices operating in the S, C, and L telecommunication.

  7. Luminescent and scintillation properties of Bi{sup 3+} doped Y{sub 2}SiO{sub 5} and Lu{sub 2}SiO{sub 5} single crystalline films

    Energy Technology Data Exchange (ETDEWEB)

    Zorenko, Yu., E-mail: zorenko@ukw.edu.pl [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, 85-090 Bydgoszcz (Poland); Gorbenko, V.; Zorenko, T. [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, 85-090 Bydgoszcz (Poland); Laboratory for Optoelectronic Materials (LOM), Department of Electronics of Ivan Franko National University of Lviv, 79017 Lviv (Ukraine); Malinowski, P. [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, 85-090 Bydgoszcz (Poland); Jary, V.; Kucerkova, R.; Beitlerova, A.; Mares, J.A.; Nikl, M. [Institute of Physics AS CR, Cukrovarnicka 10, 16253 Prague (Czech Republic); Fedorov, A. [Institute for Single Crystals NAS of Ukraine, 60 Lenin ave., 61001 Kharkiv (Ukraine)

    2014-10-15

    In this paper we report our follow-up research on the Bi{sup 3+} luminescence in orthosilicate compounds, focusing on absorption, luminescent and scintillation properties of YSO:Bi and LSO:Bi SCFs with the Bi concentration ranging from 0.05 to 0.18 at%. For purpose of this research, single crystalline films (SCF) of Y{sub 2}SiO{sub 5}:Bi and Lu{sub 2}SiO{sub 5}:Bi have been grown by the LPE method onto YSO and LSO substrates from the melt-solution based on Bi{sub 2}O{sub 3} flux. - Highlights: • YSO:Bi and LSO:Bi films have been grown by liquid phase epitaxy. • Bi{sup 3+} absorption and luminescence depends on Bi concentration. • Scintillation properties of YSO:Bi and LSO:Bi films have been studied.

  8. X-ray crystal and molecular structure of (eta/sup 5/C/sub 5/H/sub 5/)UCl/sub 3/. 2PPh/sub 3/O thf: trichloro (eta/sup 5/cyclopentadienyl)bis(triphenylphosphine oxide) uranium(IV). thf

    Energy Technology Data Exchange (ETDEWEB)

    Bombieri, G; De Paoli, G [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi; Del Pra, A; Bagnall, K W

    1978-01-01

    Following reports of the preparation of (eta/sup 5/C/sub 5/H/sub 5/)UCl/sub 3/.xL (x = 1, L = dimethoxyethane and x = 2, L = tetrahydrofuran (thf), a series of analogous oxygen-donor complexes were isolated. This paper describes the crystal and molecular structure of one of them, ((eta/sup 5/C/sub 5/H/sub 5/)UCl/sub 3/.2PPh/sub 3/O)thf.

  9. In search of zero thermal expansion anisotropy in Mo{sub 5}Si{sub 3} by strategic alloying

    Energy Technology Data Exchange (ETDEWEB)

    Dharmawardhana, C.C., E-mail: ccdxz8@mail.umkc.edu; Sakidja, R., E-mail: sakidjar@umkc.edu; Aryal, S.; Ching, W.Y.

    2015-01-25

    Highlights: • For the first time, theoretical prediction of achieving isotropic thermal expansion anisotropy (TEA) for T1 phase Mo{sub 5}Si{sub 3} by alloying with a mere 17.5% Al substitution on the Si sites. Most effective alloying proposed for the said system up to date. • The theoretical approach is verified by simulating the experimentally observed unusual TEA behaviour for (Mo,V){sub 5}Si{sub 3} alloys as a function of percent alloying. • The 2nd order and 3rd order elastic constants we explain the origin of the TEA in T1 phase for Mo{sub 5}Si{sub 3} system and how Al effect in reducing the TEA. • We use directional dependent phonon density of state, a novel approach, to identify the origin of the anisotropy and show this method of analysis could be used for other intermetallic alloys as well. - Abstract: Reducing the thermal expansion anisotropy (TEA) of alloy compounds is one of the most important issues for their potential applications in high temperature environment. The Mo{sub 5}Si{sub 3} (T1 phase) is known to be an important intermetallic compound with high melting temperature. Unfortunately, its large TEA renders it unsuitable for high temperature structural/coating applications. Many attempts have been made in the past to reduce TEA by substituting Mo by other transition metal ions such as V with little success and some unexpected observations. Here we use accurate ab initio molecular dynamics (AIMD) simulations to obtain the TEA from thermal expansion coefficients for two T1 phase alloy systems (Mo,V){sub 5}Si{sub 3} and Mo{sub 5}(Si,Al){sub 3}. We demonstrate that strategic alloying with Al substituting Si can achieve zero TEA for T1 phase. The microscopic origin of this outstanding thermomechanical properties in this alloy is explained by the calculation of higher order elastic constants in conjunction with atom and direction-resolved phonon density of states.

  10. Study on the thermoluminescent properties of K{sub 2}YF{sub 5} and K{sub 2}GdF{sub 5} crystals doped with optically active trivalent ions for gamma and neutrons dosimetry; Estudo das propriedades termoluminescentes de cristais de K{sub 2}YF{sub 5} e K{sub 2}GdF{sub 5} dopados com ions trivalentes opticamente ativos para dosimetria gama e de neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Edna Carla da

    2008-07-01

    In this work, the thermoluminescent (TL) properties of both double potassium yttrium fluoride (K{sub 2}YF{sub 5}) and double potassium gadolinium fluoride (K{sub 2}GdF{sub 5}) crystals doped with optically active rare earth ions were investigated from the point of view of gamma and neutron dosimetry. Crystalline platelets with thickness of about 1 mm, synthesized under hydrothermal conditions, were irradiated in order to study TL sensitivity, as well as dose and energy response, reproducibility and fading, in terms of Ce{sup 3+}, Tb{sup 3+}, Dy{sup 3+}, e Pr{sup 3+} concentrations. The K{sub 2}YF{sub 5} crystals doped with 1.0 at por cent Dy{sup 3+} have been found to have an excellent linear TL response to X and gamma photons, in the range of 0.01 to 10 mGy. The TL output is comparable to that of CaS0{sub 4}:Mn dosemeters. The main peak at 130 deg C has been found to have a TL response for 41.1 keV X-ray energy 32 times higher than that for 662 keV gamma rays. This fact points out that the K{sub 2}Y{sub 0.99}Dy{sub 0.01}F{sub 5} crystals have great potential for X-rays diagnostic and/or industrial radiography. On the other hand, the K{sub 2}GdF{sub 5} crystals doped with 5.0 at por cent Dy{sup 3+} have been found to have the better TL response for gamma and fast neutron radiation, among the dopants studied. For gamma fields the TL response was linear for doses ranging from 0.1 to 200 mGy. The TL peak around 200 deg C can be deconvoluted into four individual peaks, all of them with linear behavior. For fast neutron radiation produced by an {sup 241}Am{sub B}e source, the TL responses for doses ranging from 0.6 to 12 mSv were also linear and comparable to that of commercial TLD-600, irradiated at same conditions. The TL emission due to neutrons was in the high temperature range, above 200 deg C. These results points out that K{sub 2}Gd{sub 0.95}Dy{sub 0.05}F{sub 5} crystals are good candidates for use in neutron dosimetry applications. (author)

  11. On tungstates of divalent cations (I). Structural investigation and spectroscopic properties of Sr{sub 2}[WO{sub 5}] and Ba{sub 2}[WO{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Jantz, Stephan G.; Dialer, Marwin; Hoeppe, Henning A. [Lehrstuhl fuer Festkoerperchemie, Universitaet Augsburg (Germany); Pielnhofer, Florian [Abteilung Nanochemie, Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2017-12-13

    The crystal structures of Sr{sub 2}[WO{sub 5}] [Pna2{sub 1}, a = 7.2457(3) Aa, b = 10.8867(5) Aa, c = 5.5391(3) Aa, Z = 4, R{sub int} = 0.0671, R{sub 1} = 0.0495, wR{sub 2} = 0.0462] and Ba{sub 2}[WO{sub 5}] [Pnma, a = 7.3828(2) Aa, b = 5.71420(10) Aa, c = 11.4701(3) Aa, Z = 4, R{sub int} = 0.0294, R{sub 1} = 0.0146, wR{sub 2} = 0.0284] are revised, based on single-crystal XRD data. Furthermore spectroscopic data (infrared, Raman, and UV/Vis) assisted by DFT calculations are discussed and first results on the luminescence properties of Sr{sub 2}[WO{sub 5}]:Eu{sup 3+} are presented. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Syntheses and luminescence study for La{sub 1−x}Eu{sub x}[B{sub 5}O{sub 8}(OH){sub 2}]·1.5H{sub 2}O (0≤x≤0.40) and the dehydrated products β-La{sub 1−x}Eu{sub x}B{sub 5}O{sub 9} (0≤x≤0.15)

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xiaorui; Zhou, Zhengyang; Yang, Haixia; Gao, Wenliang; Cong, Rihong, E-mail: congrihong@cqu.edu.cn; Yang, Tao, E-mail: taoyang@cqu.edu.cn

    2016-05-15

    La{sub 1−x}Eu{sub x}[B{sub 5}O{sub 8}(OH){sub 2}]·1.5H{sub 2}O with the Eu{sup 3+}-doping upper limit of 40 atom% were synthesized hydrothermally. Thereafter, thermal treatments at 710 °C were applied to obtain β-La{sub 1−x}Eu{sub x}B{sub 5}O{sub 9}. The solid solution range is even narrower, i.e. 0≤x≤0.15, due to the mismatch between La{sup 3+} and Eu{sup 3+}. The host borate system shows a typical concentration quenching effect at x=0.20 under CT excitation, and this is postponed to x=0.30 under the f−f excitation. β-La{sub 1−x}Eu{sub x}B{sub 5}O{sub 9} shows a very intense absorption of charge transfer, and gives strong red emissions at 615 nm with large R/O ratios (1.9–2.4). The saturation effect appears at x=0.11, which is probably due to the lattice distortion. Eu{sup 3+} luminescence was applied as the structural probe to study the local coordination environment change during the dehydration and re-crystallization processes of La{sub 0.93}Eu{sub 0.07}[B{sub 5}O{sub 8}(OH){sub 2}]·1.5H{sub 2}O. - Highlights: • La{sub 1−x}Eu{sub x}[B{sub 5}O{sub 8}(OH){sub 2}]·1.5H{sub 2}O (0≤x≤0.40) were prepared by hydrothermal method. • The Eu{sup 3+}-doping limit in β-La{sub 1−x}Eu{sub x}B{sub 5}O{sub 9} is 15 atom% proved by powder XRD. • La{sub 1−x}Eu{sub x}[B{sub 5}O{sub 8}(OH){sub 2}]·1.5H{sub 2}O show relatively weaker red emissions. • β-La{sub 1−x}Eu{sub x}B{sub 5}O{sub 9} shows an intense CT absorption together with strong red emissions. • Eu{sup 3+} luminescence was studied when annealing La{sub 0.93}Eu{sub 0.07}[B{sub 5}O{sub 8}(OH){sub 2}]·1.5H{sub 2}O.

  13. The feasibility of boron containing phosphors in thermal neutron image plates, in particular the systems M sub 2 B sub 5 O sub 9 X : Eu sup 2 sup + (M=Ca, Sr, Ba; X=Cl, Br) Part II: experimental results

    CERN Document Server

    Knitel, M J; Dorenbos, P; Eijk, C W E; Berezovskaya, I V; Dotsenko, V

    2000-01-01

    The storage phosphor properties of the compounds M sub 2 B sub 5 O sub 9 X : Eu sup 2 sup + (M=Ca, Sr, Ba; X=Cl, Br) have been studied. The best compounds, Sr sub 2 B sub 5 O sub 9 Br : Eu sup 2 sup + and Ca sub 2 B sub 5 O sub 9 Br : Eu sup 2 sup + , show a photostimulated luminescence yield of, respectively, 21 and 14 photons per incident thermal neutron. They contain natural boron. With these yields, image plates with detective quantum efficiency values of more than 40% are envisaged when using enriched sup 1 sup 0 B, but the stimulation energy at 633 nm is too high.

  14. Structural and magnetic studies on spark plasma sintered SmCo{sub 5}/Fe bulk nanocomposite magnets

    Energy Technology Data Exchange (ETDEWEB)

    Rama Rao, N.V. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Gopalan, R. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India)]. E-mail: rg_gopy@yahoo.com; Manivel Raja, M. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Chandrasekaran, V. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Chakravarty, D. [International Advanced Research Centre for Powder Metallurgy and New Materials, Hyderabad 500 005 (India); Sundaresan, R. [International Advanced Research Centre for Powder Metallurgy and New Materials, Hyderabad 500 005 (India); Ranganathan, R. [Saha Institute of Nuclear Physics, Kolkata 700 064 (India); Hono, K. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305 0047 (Japan)

    2007-05-15

    SmCo{sub 5}+xwt% Fe (x=0, 5 and 10) nanocomposite powders were synthesized by mechanical milling and were consolidated into bulk shape by spark plasma sintering (SPS) technique. The evolution of structure and magnetic properties were systematically investigated in milled powders as well as in SPS samples. A maximum coercivity of 8.9kOe was achieved in spark plasma sintered SmCo{sub 5}+5wt% Fe sample. The exchange spring interaction between the hard and soft magnetic phases was evaluated using {delta}M-H measurements and the analysis revealed that the SPS sample containing 5wt% Fe had a stronger exchange coupling between the magnetic phases than that of the sample with10wt% Fe.

  15. On semiclassical analysis of pure spinor superstring in an AdS{sub 5} x S{sup 5} background

    Energy Technology Data Exchange (ETDEWEB)

    Aisaka, Yuri [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Sao Paulo State Univ. (Brazil). Inst. de Fisica Teorica; Ibiapina Bevilaqua, L. [Univ. Federal do Rio Grande do Norte, Natal (Brazil). Esola de Ciencias e Tecnologia; Vallilo, Brenno C. [Santiago Univ. (Chile). Dept. de Ciencias Fisicas

    2012-06-15

    Relation between semiclassical analyses of Green-Schwarz and pure spinor formalisms in an AdS{sub 5} x S{sup 5} background is clarified. It is shown that the two formalisms have identical semiclassical partition functions for a simple family of classical solutions. It is also shown that, when the classical string is furthermore rigid, this in turn implies that the two formalisms predict the same one-loop corrections to spacetime energies.

  16. Allylic chlorination of terpenic olefins using a combination of MoCl{sub 5} and NaOCl

    Energy Technology Data Exchange (ETDEWEB)

    Boualy, Brahim; Firdoussi, Larbi El; Ali, Mustapha Ait; Karim, Abdellah, E-mail: elfirdoussi@ucam.ac.m [Universite Cadi Ayyad, Marrakech (Morocco). Faculte des Sciences Semlalia. Lab. de Chimie de Coordination

    2011-07-01

    MoCl{sub 5} is applied as efficient agent in allylic chlorination of terpenic olefins in the presence of NaOCl as chlorine donor. Various terpenes are converted to the corresponding allylic chlorides in moderate to good yield under mild and optimized reaction conditions. Different molybdenum precursors are also studied. Among them, MoO{sub 3} gives good yield, but after a longer reaction time. (author)

  17. Magnetic and magnetocaloric properties of amorphous Y{sub 3}Fe{sub 5}O{sub 12} compound

    Energy Technology Data Exchange (ETDEWEB)

    Nóbrega, E.P., E-mail: pilad@cbpf.br; Costa, S.S.; Alvarenga, T.S.T.; Alho, B.P.; Caldas, A.; Ribeiro, P.O.; Sousa, V.S.R de; Oliveira, N.A. de; Ranke, P.J. von

    2017-01-15

    We report a theoretical model formed by two coupled magnetic sublattices of localized spins in the presence of an applied magnetic field to investigate the magnetic characteristics and magnetocaloric properties of amorphous yttrium iron garnet. The magnetic state equation is based on Handrich–Kobe´s theory, where the amorphization is taken into account by introducing fluctuations in the exchange parameters. Experimental results report that Y{sub 3}Fe{sub 5}O{sub 12} presents a structural phase transition from crystalline to amorphous caused by a variation of external pressure. This phase transition on Y{sub 3}Fe{sub 5}O{sub 12} leads to interesting results in the magnetic properties and magnetocaloric quantities. - Highlights: • Study of magnetic and magnetocaloric properties of amorphous Y{sub 3}Fe{sub 5}O{sub 12} compound. • Theoretical model formed by two coupled magnetic sublattices of localized spins in the presence of an applied magnetic field. • The influence of crystalline/amorphous transition on the magnetocaloric effect.

  18. Magnetic properties of ZrNi{sub 5-x}In{sub x} (0{<=}x{<=}1) ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Drulis, H. E-mail: drulis@int.pan.wroc.pl; Iwasieczko, W.; Zaremba, V

    2003-01-01

    Magnetisation was measured for the series of ZrNi{sub 5-x}In{sub x} (x=0, 0.25. 0.50, 0.75 and 1.0) alloys over the temperature range 1.75-700 K in applied field up to 50 kOe. All materials studied crystallise in the AuGe{sub 5}-type crystal structure. Alloys with x=0, 0.25 and 0.5 were found to be ferromagnets with relatively high transition temperatures, T{sub c}, dependent on the indium concentration (from T{sub c}=368 K for x=0.5 up to 647 K for x=0). The measured saturation magnetic moments are fully connected with nickel atom; the Zr and In moments are negligible. An environment-dependent model for the formation of Ni moments is suggested. The critical concentration of Ni for the onset of long-range ferromagnetic order in ZrNi{sub 5-x}In{sub x} is estimated as 4.5 atoms/f.u. (75 at%), approximately. The long-range magnetic order is determined by the number of the nearest neighbours of Ni atoms occupying 16(e) positions. Alloys with x=0.75 and 1.0 exhibit Pauli paramagnetism.

  19. Study on the surface reaction of LaNi{sub 5} alloy during discharge process in KOH solution

    Energy Technology Data Exchange (ETDEWEB)

    Tan Zuxian [Department of Chemistry, Wuhan University, Wuhan 430072 (China); Yang Yifu [Department of Chemistry, Wuhan University, Wuhan 430072 (China)]. E-mail: yang-y-f1@vip.sina.com; Jiang Fengshan [Department of Chemistry, Wuhan University, Wuhan 430072 (China); Shao Huixia [Department of Chemistry, Wuhan University, Wuhan 430072 (China)

    2006-10-05

    A new method for studying surface reaction of LaNi{sub 5} absorbing alloy in KOH solution (pH 12) was established. It is based on tip-substrate voltammetry of scanning electrochemical microscopy (SECM) where the tip faradic current is recorded while scanning the substrate potential. The Pt electrode is selected as tip electrode, and the Pt oxide formation-reduction is used as a pH-dependent reaction while the tip potential is held at a constant value. As substrate surface reactions proceed, the pH of solution can be changed, and then the tip faradic current is recorded. The mechanism of discharge process of LaNi{sub 5} alloy was analyzed by comparing the tip current (I {sub tip}) versus substrate potential (E {sub sub}) curve, which reflects the exchange of H{sup +} or OH{sup -} between the alloy surface and the solution, with the substrate current (I {sub sub}) versus substrate potential (E {sub sub}) curve, which reflects the exchange of electron on the LaNi{sub 5} alloy surface. The results showed that the OH{sup -} adsorption process is occurred before the electron transfer process during discharge process, and the adsorptive OH{sup -} helps the oxidation of adsorbed hydrogen atom on the alloy surface. A quantitative assessment for the maximum changes of pH during discharge process is also proposed, and the variation as large as 2.65 pH unit was detected.

  20. Study on the surface reaction of LaNi{sub 5} alloy during discharge process in KOH solution

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Zuxian; Yang, Yifu; Jiang, Fengshan; Shao, Huixia [Wuhan University, Wuhan (China). Department of Chemistry

    2006-10-05

    A new method for studying surface reaction of LaNi{sub 5} absorbing alloy in KOH solution (pH 12) was established. It is based on tip-substrate voltammetry of scanning electrochemical microscopy (SECM) where the tip faradic current is recorded while scanning the substrate potential. The Pt electrode is selected as tip electrode, and the Pt oxide formation-reduction is used as a pH-dependent reaction while the tip potential is held at a constant value. As substrate surface reactions proceed, the pH of solution can be changed, and then the tip faradic current is recorded. The mechanism of discharge process of LaNi{sub 5} alloy was analyzed by comparing the tip current (I{sub tip}) versus substrate potential (E{sub sub}) curve, which reflects the exchange of H{sup +} or OH{sup -} between the alloy surface and the solution, with the substrate current (I{sub sub}) versus substrate potential (E{sub sub}) curve, which reflects the exchange of electron on the LaNi{sub 5} alloy surface. The results showed that the OH{sup -} adsorption process is occurred before the electron transfer process during discharge process, and the adsorptive OH{sup -} helps the oxidation of adsorbed hydrogen atom on the alloy surface. A quantitative assessment for the maximum changes of pH during discharge process is also proposed, and the variation as large as 2.65 pH unit was detected. (author)

  1. Continuous radiometric control of P/sub 2/O/sub 5/ content in phosphorite ore pulp

    Energy Technology Data Exchange (ETDEWEB)

    Belyakov, M A; Terent' ev, E P; Khoruzhii, A I

    1976-03-01

    Procedures have been developed for a continuous radiometric determination of P/sub 2/O/sub 5/ (6 to 8%) in the pulp of phosphorite ore on the basis of correlation between U and P contents in phosphorites. The pulp is piped from the classifier of one of the sections of the enrichment plant into a vertical cylindrical container whose upper part carries, mounted in its centre, a scintillator with an 80 x 80 mm NaJ(TL) crystal a FEU-82 photoelectric device. Overflowing the container edge, the pulp accumulates in the bleeding pipe and is moved on to be floated. The measuring of the gamma radiation from the pulp (with an energy of about 0.2 MeV) and the recording of the readings are carried out with a single-channel gamma spectrometer of the SP-ZM type and a self-writing KSP-type potentiometer. The sensitivity of measurements is 70 imp./sec per 1% of P/sub 2/O/sub 5/ with a 70 imp./sec background. The mean-square discrepancy as compared with chemical data is 0.3% of P/sub 2/O/sub 5/.

  2. 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.

  3. 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}.

  4. Is alpha-V2O<sub>5 a cathode material for Mg insertion batteries?

    Energy Technology Data Exchange (ETDEWEB)

    Sa, Niya; Wang, Hao; Proffit, Danielle L.; Lipson, Albert L.; Key, Baris; Liu, Miao; Feng, Zhenxing; Fister, Timothy T.; Ren, Yang; Sun, Cheng-Jun; Vaughey, John T.; Fenter, Paul A.; Persson, Kristin A.; Burrell, Anthony K.

    2016-08-01

    When designing a high energy density battery, one of the critical features is a high voltage, high capacity cathode material. In the development of Mg batteries, oxide cathodes that can reversibly intercalate Mg, while at the same time being compatible with an electrolyte that can deposit Mg reversibly are rare. Herein, we report the compatibility of Mg anodes with a-V2O<sub>5 by employing magnesium bis(trifluoromethane sulfonyl)imide in diglyme electrolytes at very low water levels. Electrolytes that contain a high water level do not reversibly deposit Mg, but interestingly these electrolytes appear to enable much higher capacities for an a-V2O<sub>5 cathode. Solid state NMR indicates that the major source of the higher capacity in high water content electrolytes originates from reversible proton insertion. In contrast, we found that lowering the water level of the magnesium bis(trifluoromethane sulfonyl)imide in diglyme electrolyte is critical to achieve reversible Mg deposition and direct evidence for reversible Mg intercalation is shown. Findings we report here elucidate the role of proton intercalation in water-containing electrolytes and clarify numerous conflicting reports of Mg insertion into a-V2O<sub>5.

  5. Orthorhombic phase formation in electrochemically grown vanadium oxide (V{sub 2}O{sub 5}) nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Langie da Silva, Douglas, E-mail: douglas.langie@ufpel.edu.br [Departamento de Física, Universidade Federal de Pelotas, Caixa Postal 354, Pelotas 96010-900 (Brazil); Pasa, André Avelino [Laboratório de Filmes Finos e Superfícies, Departamento de Física, Universidade Federal de Santa Catarina, Caixa Postal 476, Florianópolis 88.040-900 (Brazil)

    2013-06-15

    The inner structure of V{sub 2}O{sub 5} nanofibers synthesized by electrochemical deposition has been investigated by transmission electron microscopy (TEM) and selected area electron diffraction (SAED). The experimental results demonstrate that the fibers are formed by 2D orthorhombic layers of V{sub 2}O{sub 5}. The layers are formed along the plane ab stacked in the crystallographic direction c. Additionally the diffraction results indicate that the fibers grow preferentially along the (100) crystallographic plane with surface dominated by the plane (001). The formation of fibers is discussed in terms of the preferential growth along specific orientations in order to minimize the surface energy of the nanostructures. - Highlights: • Electrochemical deposition leads to the formation of 2D crystalline V{sub 2}O{sub 5} nanofibers. • Electron diffraction was used to determine the inner structure of fibers. • The fibers grown preferentially along the low-index (100) crystallographic plane. • The fibers grow along specific orientations in order to minimize the surface energy. • The 2D structure of fibers is an important feature for technological applications.

  6. Facile synthesis of ammonium vanadate nanofibers by using reflux in aqueous V{sub 2}O{sub 5} solution with ammonium persulfate

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Se Hun [Department of Convergence Nanoscience, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Koo, Jun Mo [Department of Organic and Nano Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Oh, Seong Geun, E-mail: seongoh@hanyang.ac.kr [Department of Chemical Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Im, Seung Soon, E-mail: imss007@hanyang.ac.kr [Department of Convergence Nanoscience, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Department of Organic and Nano Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 133-791 (Korea, Republic of)

    2017-06-15

    Ammonium vanadate nanofibers were synthesized by simple reflux method in aqueous V{sub 2}O{sub 5} solution with ammonium persulfate without relying on surfactants, catalysts, harmful solvents and autoclave. The degree of intercalation by cationic ammonium ions into the crystal structure of vanadium oxide along with its change in chemical composition were analyzed by thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR). The morphological changes toward nanofiber structure, having diameter of 20–30 nm and a few μm length, were investigated using transmission electron microscopy (TEM), scanning electron microscopy (SEM) and X-ray diffraction (XRD). The influences of synthetic conditions, such as reaction time and concentration of sulfate (SO{sub 4}{sup 2-}), on the crystal structures and morphologies of the resulting products have investigated. As a result, the ammonium vanadate nanofiber was formed in a short reaction time through a simple reflux method and yielded comparable electrical conductivity 1.47 × 10{sup -2} S/cm. - Highlights: • Ammonium vanadate nanofiber (AVFr) was prepared by simple reflux method. • AVFr yielded comparable electrical conductivity 1.47 × 10{sup -2} S/cm. • The electrical conductivity was improved by the increased amount of ammonium ion. • Sulfate ions (SO{sub 4}{sup 2-}) play a crucial role in controlling the morphology of nanofiber.

  7. Effect of the milling time on thermal stability of mechanically alloyed Mg{sub 5}0 Ni{sub 5}0 amorphous alloy; Efecto del tiempo de molienda sobre la estabilidad termica del amorfo Mg{sub 5}0 Ni:50 producido mediante aleado mecanico

    Energy Technology Data Exchange (ETDEWEB)

    Guzman, D.; Ordonez, S.; Serafini, D.; Rojas, P.; Aguilar, C.; Santander, M.; Navea, L.

    2009-07-01

    In order to study the relationship between the milling time used in the production of Mg{sub 5}0Ni{sub 5}0 amorphous alloy and its thermal stability, seven amorphous alloys were produced by milling for 20, 25, 30, 35, 40, 50 and 60 h each sample. The obtained powders were morphological and structurally characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM), respectively. The thermal stability of amorphous alloys was study by differential scanning calorimetry (DSC). Based on the obtained results, it can be concluded that the increase in the added energy when milling for longer time causes the homogenization of the microstructure with an increase in amorphous phase, which dissolves a large amount of nickel in its structure. Therefore, the simultaneous crystallization of the Mg{sub 2}Ni and MgNi{sub 2} intermetallic compounds at 345 degree centigrade can be explained. (Author) 19 refs.

  8. True atomic-scale imaging of a spinel Li{sub 4}Ti{sub 5}O{sub 12}(111) surface in aqueous solution by frequency-modulation atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kitta, Mitsunori, E-mail: m-kitta@aist.go.jp; Kohyama, Masanori [Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology, 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Onishi, Hiroshi [Department of Chemistry, Graduate School of Science, Kobe University 1-1 Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-09-15

    Spinel-type lithium titanium oxide (LTO; Li{sub 4}Ti{sub 5}O{sub 12}) is a negative electrode material for lithium-ion batteries. Revealing the atomic-scale surface structure of LTO in liquid is highly necessary to investigate its surface properties in practical environments. Here, we reveal an atomic-scale image of the LTO(111) surface in LiCl aqueous solution using frequency-modulation atomic force microscopy. Atomically flat terraces and single steps having heights of multiples of 0.5 nm were observed in the aqueous solution. Hexagonal bright spots separated by 0.6 nm were also observed on the flat terrace part, corresponding to the atomistic contrast observed in the ultrahigh vacuum condition, which suggests that the basic atomic structure of the LTO(111) surface is retained without dramatic reconstruction even in the aqueous solution.

  9. Color-tunable and luminescence properties of phosphors of Ce{sup 3+} and Tb{sup 3+} co-doped La{sub 5}Si{sub 3}O{sub 12}N for UV w-LEDs

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Junru; Chen, Jian; Liu, Yangai, E-mail: liuyang@cugb.edu.cn

    2016-02-15

    A series of Ce{sup 3+}, Tb{sup 3+} and Ce{sup 3+}/Tb{sup 3+} co-doped in La{sub 5}Si{sub 3}O{sub 12}N phosphors were synthesized by conventional high temperature solid state reaction method. With the increase of Tb{sup 3+}, the green emission was realized in (La{sub 0.94−y}Ce{sub 0.06}Tb{sub y}){sub 5}Si{sub 3}O{sub 12}N phosphors on the basis of the efficient energy transfer from Ce{sup 3+} to Tb{sup 3+} with an efficiency (η{sub T}) over 58.72%. The room temperature PL decay curves of the Ce{sup 3+} ions in (La{sub 0.94−y}Ce{sub 0.06}Tb{sub y}){sub 5}Si{sub 3}O{sub 12}N phosphors monitored at 460 nm with an excitation at 365 nm indicated that the energy transfer process between Ce{sup 3+} and Tb{sup 3+} indeed took place. The CIE chromaticity diagrams for (La{sub 0.94−y}Ce{sub 0.06}Tb{sub y}){sub 5}Si{sub 3}O{sub 12}N phosphors were also observed, which shows the color tuned from blue to blue-greenish to green with the increase of Tb{sup 3+} concentration from 0.01 to 0.08. These results demonstrated that Tb{sup 3+} ion with low 4f–4f absorption efficiency in near UV region can play the role of an activator in narrow green-emitting phosphor through efficient energy feeding by allowing 4f–5d absorption of Ce{sup 3+} with high oscillator strength. All the results indicated that the Ce{sup 3+} and Tb{sup 3+} activated La{sub 5}Si{sub 3}O{sub 12}N phosphor may be good candidates for blue-green components in n-UV white LEDs. - Highlights: • A series of Ce{sup 3+}, Tb{sup 3+} and Ce{sup 3+}/Tb{sup 3+} co-doped in La{sub 5}Si{sub 3}O{sub 12}N phosphors were synthesized by high temperature solid state reaction method. • The green emission was realized in (La{sub 0.94−y}Ce{sub 0.06}Tb{sub y})Si{sub 3}O{sub 12}N phosphors on the basis of the highly efficient energy transfer. • The Ce{sup 3+} and Tb{sup 3+} activated La{sub 5}Si{sub 3}O{sub 12}N phosphor may be good candidates for blue-green components in n-UV white LEDs.

  10. Porous p-NiO/n-Nb{sub 2}O{sub 5} nanocomposites prepared by an EISA route with enhanced photocatalytic activity in simultaneous Cr(VI) reduction and methyl orange decolorization under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Hashemzadeh, Fatemeh, E-mail: Fa.hashemzadeh@gmail.com [Young Researchers and Elite Clube, Marand Branch, Islamic Azad University, Marand (Iran, Islamic Republic of); Gaffarinejad, Ali, E-mail: Ghaffarinejad@iust.ac.ir [Department of Chemistry, Iran University of Science and Technology, Tehran 16846-13114 (Iran, Islamic Republic of); Rahimi, Rahmatollah, E-mail: Rahimi_Rah@iust.ac.ir [Department of Chemistry, Iran University of Science and Technology, Tehran 16846-13114 (Iran, Islamic Republic of)

    2015-04-09

    Highlights: • EISA synthesis of NiO/Nb{sub 2}O{sub 5} composites (NiNbx; x = Ni/Nb = 0.0, 0.4, 0.8, 1.2). • 200–400 nm extension in absorption edge to visible region compared to NiNb0.0. • Simultaneous Cr(VI)–MO redox photoreactions on NiNbx in visible light at pH 2. • NiNb0.4, the most active sample, due to low E{sub g} & e{sup −}–h{sup +} separation by p–n junction. • More efficiency of Cr(VI)–MO system than that of single ones, showing synergism effect. - Abstract: Porous NiO/Nb{sub 2}O{sub 5} nanocomposites with Ni/Nb molar ratio of 0.4, 0.8 and 1.2 have been obtained via the EISA route using P123 copolymer as organic template, and are assigned as NiNb0.4, NiNb0.8 and NiNb1.2, respectively. For comparison, pure Nb{sub 2}O{sub 5} sample assigned as NiNb0.0 was also synthesized by the same method. Structural and textural features of the as prepared samples were investigated by XRD, FTIR, FE-SEM, EDX, UV–vis DRS and BET techniques. The results indicated that the porous p-NiO/n-Nb{sub 2}O{sub 5} junction nanocomposites were formed and coupling of NiO with Nb{sub 2}O{sub 5} resulted a remarkable red shift in the optical response of the nanocomposite samples. The photocatalytic properties of the nanocomposite samples, and also synthesized pure Nb{sub 2}O{sub 5} (NiNb0.0) and commercial Nb{sub 2}O{sub 5} as reference catalysts were evaluated for the first time by simultaneous Cr(VI) reduction and MO decolorization in aqueous suspension under visible light irradiation at pH 2. NiNb0.4 was found to be the most active photocatalyst, which might be attributed to the extended absorption in the visible light region and the effective photogenerated electron–hole separation by the photosynergistic effects of the p-NiO/n-Nb{sub 2}O{sub 5} composite powder. The photocatalytic efficiency of the most active photocatalyst, NiNb0.4, was found to be rather low for either single Cr(VI) solution or single MO solution. However, the photocatalytic reduction of

  11. The quaternary arsenide oxides Ce{sub 9}Au{sub 5-x}As{sub 8}O{sub 6} and Pr{sub 9}Au{sub 5-x}As{sub 8}O{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Bartsch, Timo; Hoffmann, Rolf-Dieter; Poettgen, Rainer [Univ. Muenster (Germany). Inst. fuer Anorganische und Analytische Chemie

    2016-07-01

    The quaternary gold arsenide oxides Ce{sub 9}Au{sub 5-x}As{sub 8}O{sub 6} and Pr{sub 9}Au{sub 5-x}As{sub 8}O{sub 6} were synthesized from the rare earth elements (RE), rare earth oxides, arsenic and gold powder at maximum annealing temperatures of 1173 K. The structures were refined from single crystal X-ray diffractometer data: Pnnm, a=1321.64(6) pm, b=4073.0(3), c=423.96(2), wR2=0.0842, 3106 F{sup 2} values, 160 variables for Ce{sub 9}Au{sub 4.91(4)}As{sub 8}O{sub 6} and Pnnm, a=1315.01(4), b=4052.87(8), c=420.68(1) pm, wR2=0.0865, 5313 F{sup 2} values, 160 variables for Pr{sub 9}Au{sub 4.75(1)}As{sub 8}O{sub 6}. They represent a new structure type and show a further extension of pnictide oxide crystal chemistry. A complex polyanionic gold arsenide network [Au{sub 5}As{sub 8}]{sup 15-} (with some disorder in the gold substructure) is charge compensated with polycationic strands of condensed edge-sharing O rate at RE{sub 4/4} and O rate at RE{sub 4/3} tetrahedra ([RE{sub 4}O{sub 3}]{sub 2}{sup 12+}) as well as RE{sup 3+} cations in cavities.

  12. Lattice specific heat for the RMIn{sub 5} (R=Gd, La, Y; M=Co, Rh) compounds: Non-magnetic contribution subtraction

    Energy Technology Data Exchange (ETDEWEB)

    Facio, Jorge I., E-mail: jorge.facio@cab.cnea.gov.ar [Centro Atómico Bariloche and Instituto Balseiro, CNEA, 8400 Bariloche (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Betancourth, D.; Cejas Bolecek, N.R. [Centro Atómico Bariloche and Instituto Balseiro, CNEA, 8400 Bariloche (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Jorge, G.A. [Instituto de Ciencias, Universidad Nacional de General Sarmiento, Buenos Aires (Argentina); Pedrazzini, Pablo; Correa, V.F.; Cornaglia, Pablo S. [Centro Atómico Bariloche and Instituto Balseiro, CNEA, 8400 Bariloche (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Vildosola, V. [Centro Atómico Constituyentes, CNEA, 1650 San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); García, D.J. [Centro Atómico Bariloche and Instituto Balseiro, CNEA, 8400 Bariloche (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina)

    2016-06-01

    We analyze theoretically a common experimental process used to obtain the magnetic contribution to the specific heat of a given magnetic material. In the procedure, the specific heat of a non-magnetic analog is measured and used to subtract the non-magnetic contributions, which are generally dominated by the lattice degrees of freedom in a wide range of temperatures. We calculate the lattice contribution to the specific heat for the magnetic compounds GdMIn{sub 5} (M=Co, Rh) and for the non-magnetic YMIn{sub 5} and LaMIn{sub 5} (M=Co, Rh), using density functional theory based methods. We find that the best non-magnetic analog for the subtraction depends on the magnetic material and on the range of temperatures. While the phonon specific heat contribution of YRhIn{sub 5} is an excellent approximation to the one of GdCoIn{sub 5} in the full temperature range, for GdRhIn{sub 5} we find a better agreement with LaCoIn{sub 5}, in both cases, as a result of an optimum compensation effect between masses and volumes. We present measurements of the specific heat of the compounds GdMIn{sub 5} (M=Co, Rh) up to room temperature where it surpasses the value expected from the Dulong–Petit law. We obtain a good agreement between theory and experiment when we include anharmonic effects in the calculations.

  13. Study of a Li/polymer electrolyte/V{sub 2}O{sub 5} battery; Etude d`un accumulateur Li/POE/V{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Tassin, N.; Bronoel, G.; Fauvarque, J.F.; Millot, A. [Laboratoire SORAPEC, 94 - Fontenay-sous-Bois (France)

    1996-12-31

    The use of POE solid polymer electrolytes in negative lithium electrode batteries allows to reach energy density values close to 150 Wh/kg. The functioning of Li/POE/V{sub 2}O{sub 5} elements has been studied on small capacity elementary cells (about 26 mAh) and the results obtained were confirmed using coiled elements of 1.4 to 1.8 Ah capacity. This work has been carried out for Bollore Technologies (BT) and Electricite de France (EdF) companies. (J.S.)

  14. Study of a Li/polymer electrolyte/V{sub 2}O{sub 5} battery; Etude d`un accumulateur Li/POE/V{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Tassin, N; Bronoel, G; Fauvarque, J F; Millot, A [Laboratoire SORAPEC, 94 - Fontenay-sous-Bois (France)

    1997-12-31

    The use of POE solid polymer electrolytes in negative lithium electrode batteries allows to reach energy density values close to 150 Wh/kg. The functioning of Li/POE/V{sub 2}O{sub 5} elements has been studied on small capacity elementary cells (about 26 mAh) and the results obtained were confirmed using coiled elements of 1.4 to 1.8 Ah capacity. This work has been carried out for Bollore Technologies (BT) and Electricite de France (EdF) companies. (J.S.)

  15. Synthesis, single-crystal structure determination and Raman spectra of the tricyanomelaminates NaA{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O (A = Rb, Cs)

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.; Schulz, Armin [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2016-07-01

    Transparent colorless crystals of NaA{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O (A = Rb, Cs) were obtained by blending aqueous solutions of Na{sub 3}[C{sub 6}N{sub 9}] and RbF or CsF, respectively, and subsequent evaporation of the water under ambient conditions. Both compounds crystallize in the space group P2{sub 1}/m (no. 11) with the cell parameters a = 815.56(16), b = 1637.7(4) and c = 1036.4(3) pm, and β = 110.738(12) for NaRb{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O and a = 843.32(6), b = 1708.47(11) and c = 1052.42(7) pm, and β = 112.034(2) for NaCs{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O, respectively. Raman spectra of the title compounds complement our results.

  16. Efficient and Selective Reduction of Aromatic Nitro Compounds to Aromatic Amines by NbCl{sub 5}/Indium System

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Byung Woo; Kim, Duckil; Kim, Hyung Min; Kang, Sung Ho [Korea Univ., Seoul (Korea, Republic of)

    2012-09-15

    Aromatic amines find applicability in diverse fields including dyes, pharmaceuticals, agrochemicals, and photographic materials. To date, there are a variety of methods, which can be used to convert aromatic nitro compounds to their corresponding amines. Some of them include Cp{sub 2}TiCl{sub 2}/In, Al/NH{sub 4}Cl, (NH{sub 4}){sub 2}SO{sub 4}/NaBH{sub 4}, NiCl{sub 2}6H{sub 2}O/In, HI, Sm/I{sub 2}, In/NH{sub 4}Cl, B{sub 4}H{sub 10}/Pd/C, Co{sub 2}(CO){sub 8}/H{sub 2}O and In/HCl. However, most methods still lack the desired chemo-selectivity when other reducible functional groups are present in the nitroarene and often require long reaction times, or harsh reaction conditions. Consequently, efficient and selective methods for the reduction of aromatic nitro compounds continue to be developed. It has been reported that NbCl{sub 5}/Zn system is used as a reagent for reducing sulfoxides, epoxides, and amine N-oxides.12 Because of the close resemblance of indium to zinc in several respects, including first ionization potential, we considered that NbCl{sub 5}/In system can be an efficient reducing agent for the conversion of aromatic nitro compounds to the corresponding amines. Recently, indium metal has attracted much attention for its unique properties such as low toxicity and high stability in water and air compared with other metals. In continuation of our interest in exploring the utility of metal-metal salt system in organic synthesis, we would like to report an efficient and chemo-selective method for the reduction of various aromatic nitro compounds to the corresponding amines by treatment with NbCl{sub 5}/In system (eq. 1). The new reduction system was generated by the addition of indium powder to a stirred solution of niobium(V) chloride in THF under sonication. The generation of low-valent niobium species was examined at room temperature with an excess of indium metal. The observations suggest that this procedure can be applied for the chemo

  17. Cracks growth behaviors of commercial pure titanium under nanosecond laser irradiation for formation of nanostructure-covered microstructures (with sub-5-μm)

    Energy Technology Data Exchange (ETDEWEB)

    Pan, A.F.; Wang, W.J., E-mail: wenjunwang@mail.xjtu.edu.cn; Mei, X.S.; Zheng, B.X.; Yan, Z.X.

    2016-11-30

    Highlights: • The sub-5-μm microstructures on commercial pure titanium are creatively obtained based on cracks growth under 10 ns laser irradiation. • The distribution modification of laser energy induced by cambered microstructures was theoretically analyzed to produce nanostructures. • The sharp micro-nano structures under combined action of crack growth and hot-melt are obtained. - Abstract: This study reported on the formation of sub-5-μm microstructures covered on titanium by cracks growth under 10-ns laser radiation at the wavelength of 532 nm and its induced light modification for production of nanostructures. The electric field intensity and laser power density absorbed by commercial pure titanium were computed to investigate the self-trapping introduced by cracks and the effect of surface morphology on laser propagation characteristics. It is found that nanostructures can form at the surface with the curvature radius below 20 μm. Meanwhile, variable laser fluences were applied to explore the evolution of cracks on commercial pure titanium with or without melt as spot overlap number increased. Experimental study was first performed at the peak laser fluence of 1.063 J/cm{sup 2} to investigate the microstructures induced only by cracks growth. The results demonstrated that angular microstructures with size between 1.68 μm and 4.74 μm was obtained and no nanostructure covered. Then, at the peak laser fluence of 2.126 J/cm{sup 2}, there were some nanostructures covered on the melt-induced curved microstructured surface. However, surface molten material submerged in the most of cracks at the spot overlap number of 744, where the old cracks disappeared. The results indicated that there was too much molten material and melting time at the peak laser fluence of 2.126 J/cm{sup 2}, which was not suitable for obtainment of perfect micro-nano structures. On this basis, peak laser fluence was reduced down to 1.595 J/cm{sup 2} and the sharp sub–5

  18. 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.

  19. New orthorhombic derivative of CaCu{sub 5}-type structure: RNi{sub 4}Si compounds (R=Y, La, Ce, Sm, Gd–Ho), crystal structure and some magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    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. [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); Yuan, Fang; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India)

    2013-12-15

    The crystal structure of new YNi{sub 4}Si-type RNi{sub 4}Si (R=Y, La, Ce, Sm, Gd–Ho) compounds has been established using powder X-ray diffraction. The YNi{sub 4}Si structure is a new structure type, which is orthorhombic derivative of CaCu{sub 5}-type structure (space group Cmmm N 65, oC12). GdNi{sub 4}Si and DyNi{sub 4}Si compounds order ferromagnetically at 25 and 19 K, respectively whereas YNi{sub 4}Si shows antiferromagnetic nature. At 15 K, DyNi{sub 4}Si shows second antiferromagnetic-like transition. The magnetic moment of GdNi{sub 4}Si at 5 K in 50 kOe field is ∼7.2 μ{sub B}/f.u. suggesting a completely ordered ferromagnetic state. The magnetocaloric effect of GdNi{sub 4}Si is calculated in terms of isothermal magnetic entropy change and it reaches the maximum value of −12.8 J/kg K for a field change of 50 kOe near T{sub C} ∼25 K. - Graphical abstract: The RNi{sub 4}Si (R=Y, La, Ce, Sm, Gd–Ho) compounds crystallize in new YNi{sub 4}Si-type structure which is orthorhombic derivative of the basic CaCu{sub 5}-type structure. GdNi{sub 4}Si and DyNi{sub 4}Si compounds show the ferromagnetic-like ordering, whereas.YNi{sub 4}Si has the antiferromagnetic nature. The GdNi{sub 4}Si demonstrates the big magnetocaloric effect near temperature of ferromagnetic ordering. The relationship between initial CaCu{sub 5}-type DyNi{sub 5} and YNi{sub 4}Si-type DyNi{sub 4}Si lattices.

  20. Revision of the Ge–Ti phase diagram and structural stability of the new phase Ge{sub 4}Ti{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Bittner, Roland W. [University of Vienna, Department of Inorganic Chemistry/Materials Chemistry, Währingerstraße 42, 1090 Wien (Austria); Colinet, Catherine [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); Richter, Klaus W., E-mail: klaus.richter@univie.ac.at [University of Vienna, Department of Inorganic Chemistry/Materials Chemistry, Währingerstraße 42, 1090 Wien (Austria)

    2013-11-15

    Highlights: •New compound Ge{sub 4}Ti{sub 5} found by experiments and by DFT ground state calculations. •Enthalpies of formation calculated for different Ge–Ti compounds. •Modifications of the Ge–Ti phase diagram suggested. -- Abstract: The binary phase diagram Ge–Ti was investigated experimentally by powder X-ray diffraction, scanning electron microscopy including EDX analysis, and differential thermal analysis. Total energies of the compounds GeTi{sub 3}, GeTi{sub 2}, Ge{sub 3}Ti{sub 5}, Ge{sub 4}Ti{sub 5}, Ge{sub 5}Ti{sub 6}, GeTi and Ge{sub 2}Ti were calculated for various structure types employing electronic density-functional theory (DFT). Experimental studies as well as electronic calculations show the existence of a new phase Ge{sub 4}Ti{sub 5} (Ge{sub 4}Sm{sub 5}-type, oP36, Pnma) which is formed in a solid state reaction Ge{sub 3}Ti{sub 5} + Ge{sub 5}Ti{sub 6} = Ge{sub 4}Ti{sub 5}. In addition, a significant homogeneity range was observed for the compound Ge{sub 3}Ti{sub 5} and the composition of the liquid phase in the eutectic reaction L = Ge + Ge{sub 2}Ti was found to be at significant higher Ge-content (97.5 at.% Ge) than reported in previous studies. Based on these new results, a modified phase diagram Ge–Ti is suggested. The zero-temperature lattice parameters and the formation enthalpies determined by DTF calculations were found to be in good agreement with experimental data.

  1. K{sub 2}MnF{sub 5}·H{sub 2}O as reactant for synthesizing highly efficient red emitting K{sub 2}TiF{sub 6}:Mn{sup 4+} phosphors by a modified cation exchange approach

    Energy Technology Data Exchange (ETDEWEB)

    Han, Tao, E-mail: danbaiht@126.com; Wang, Jun; Lang, Tianchun; Tu, Mingjing; Peng, Lingling

    2016-11-01

    As reactant for synthesizing K{sub 2}TiF{sub 6}:Mn{sup 4+} phosphors, the cross-shaped and cuboid-shaped K{sub 2}MnF{sub 5}·H{sub 2}O powders were prepared by the simple chemical method. Based on the reaction mechanism, oxidizing K{sub 2}MnF{sub 5}·H{sub 2}O (Mn{sup 3+}) to Mn{sup 4+} by KMnO{sub 4} (Mn{sup 7+}), a modified cation exchange approach for synthesizing highly efficient red emitting K{sub 2}TiF{sub 6}:Mn{sup 4+} phosphor was proposed. The obtained K{sub 2}TiF{sub 6}:Mn{sup 4+} (2.7–5.3 at.%) phosphors have the size of 30–80 μm with a rough surface, their emission spectra consist of five narrow bands extending from 580 to 660 nm with the strongest peak at 634.8 nm, whose relative emitting intensity depends on the molar ratio of KMnO{sub 4} to K{sub 2}MnF{sub 5}·H{sub 2}O (the platform value = 3.2), and two broad excitation bands are peaking at ∼365 nm and ∼460 nm. The internal quantum yield of our synthesized K{sub 2}TiF{sub 6}:Mn{sup 4+} phosphors is up to 82.5%, which is higher than the commercial CaAlSiN{sub 3}:Eu{sup 2+} value, their excitation bands peak at ∼460 and ∼365 nm are consistent with those of Y{sub 3}A{sub 5}O{sub 12}:Ce{sup 3+} phosphors and their emission bands are more suitable for the sensitivity curve of photopic human vision. In addition, our synthesized phosphors show better thermal quenching properties. These findings show a large potential of the synthesized K{sub 2}TiF{sub 6}:Mn{sup 4+} phosphors for commercialization. - Highlights: • We synthesize the cross-shaped and cuboid-shaped K{sub 2}MnF{sub 5}·H{sub 2}O. • K{sub 2}MnF{sub 5}·H{sub 2}O is as a reactant for synthesizing K{sub 2}TiF{sub 6}:Mn{sup 4+} phosphors. • K{sub 2}TiF{sub 6}:Mn{sup 4+} will improve the current white LED with high CRI for indoor lighting.

  2. Study of the reduction of sulfur dioxide to elemental sulfur by carbon monoxide on a La/sub 0/ /sub 5/ Sr/sub 0/ /sub 5/ CoO/sub 3/ catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Hibbert, D B; Tseung, A C.C.

    1979-12-01

    A study of the reduction of sulfur dioxide to elemental sulfur by carbon monoxide on a La/sub 0/ /sub 5/ Sr/sub 0/ /sub 5/ CoO/sub 3/ catalyst a perovskite oxide, to determine the effects of oxygen and water on SO2 reduction showed that in the presence of 5 to 16% oxygen, the reaction between sulfur dioxide and carbon monoxide still occurred if there was sufficient carbon monoxide in the gas to react with all the oxygen. At 600C, all the sulfur dioxide was removed at 5 to 16% oxygen levels. Water vapor at 2% did not adversely affect the reaction. The unwanted by-products, hydrogen disulfide and carbonyl sulfide, were reduced at contact times below 0.25 sec. During the reaction, the catalyst itself reacted with sulfur to give metal sulfides. When reagent grade CO/sub 2/O/sub 3/ was substituted for perovskite oxide, the maximum conversion of 98% of sulfur dioxide was attained at 550C, but an unacceptably high concentration of carbonyl sulfide was formed; within 1 hr, the sulfur dioxide conversion fell to 60%. The perovskite oxide reaction may be useful in removing sulfur dioxide from fosill fuel stack gases.

  3. Epitaxial growth and dielectric properties of Bi sub 2 VO sub 5 sub . sub 5 thin films on TiN/Si substrates with SrTiO sub 3 buffer layers

    CERN Document Server

    Lee, H Y; Choi, B C; Jeong, J H; Joseph, M; Tabata, H; Kawai, T

    2000-01-01

    Bi sub 2 VO sub 5 sub . sub 5 (BVO) thin films were epitaxially grown on SrTiO sub 3 /TiN/Si substrates by using pulsed laser ablation. A TiN thin film was prepared at 700 .deg. C as a bottom electrode. The TiN film exhibited a high alpha axis orientation and a very smooth morphology. Before the preparation of the BVO thin film, a crystallized SrTiO sub 3 thin film was deposited as a buffer layer on TiN/Si. The BVO thin film grown at a substrate temperature at 700 .deg. C and an oxygen pressure of 50 mTorr was found to be epitaxial along the c-axis. Also, BVO films were observed to have flat surfaces and the step-flow modes. The dielectric constant of the BVO film on STO/TiN/Si was constant at about 8 approx 4 in the applied frequency range between 10 sup 2 and 10 sup 6 Hz.

  4. Finite-size giant magnons on η-deformed AdS{sub 5}×S{sup 5}

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Changrim, E-mail: ahn@ewha.ac.kr; Bozhilov, Plamen, E-mail: bozhilov@inrne.bas.bg

    2014-10-07

    We consider strings moving in the R{sub t}×S{sub η}{sup 3} subspace of the η-deformed AdS{sub 5}×S{sup 5} and obtain a class of solutions depending on several parameters. They are characterized by the string energy and two angular momenta. Finite-size dyonic giant magnon belongs to this class of solutions. Further on, we restrict ourselves to the case of giant magnon with one nonzero angular momentum, and obtain the leading finite-size correction to the dispersion relation.

  5. Molecular dynamics studies of displacement cascades in Fe-Y{sub 2}TiO{sub 5} system

    Energy Technology Data Exchange (ETDEWEB)

    Dholakia, Manan, E-mail: manan@igcar.gov.in; Chandra, Sharat; Jaya, S. Mathi [Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, TN (India)

    2016-05-23

    The effect of displacement cascade on Fe-Y{sub 2}TiO{sub 5} bilayer is studied using classical molecular dynamics simulations. Different PKA species – Fe, Y, Ti and O – with the same PKA energy of 8 keV are used to produce displacement cascades that encompass the interface. It is shown that Ti atom has the highest movement in the ballistic regime of cascades which can lead to Ti atoms moving out of the oxide clusters into the Fe matrix in ODS alloys.

  6. Spectrum and quantum symmetries of the AdS{sub 5} x S{sup 5} superstring

    Energy Technology Data Exchange (ETDEWEB)

    Heinze, Martin

    2014-12-18

    The initial AdS/CFT duality pair, the duality between N=4 SYM and the AdS{sub 5} x S{sup 5} superstring, appears to enjoy quantum integrability in the planar limit, which allowed to devise powerful methods ostensibly solving the spectral problem. However, quantization of the AdS{sub 5} x S{sup 5} superstring from first principles is still an open question and especially the spectrum of short string states has previously been derived only at leading order in large 't Hooft coupling. In this thesis we investigate possible routes to quantize short string states perturbatively beyond the leading order, where equally our aim is to gain better appreciation of the quantum symmetries at play. A prominent role is played by the lowest excited string states, dual to the Konishi supermultiplet, and we start by reviewing critically an asserted derivation of the Konishi anomalous dimension in the setup of pure spinor string theory. Next, we constrain ourselves to bosonic AdS{sub 5} x S{sup 5} String in static gauge, where we construct a so-called single-mode string solution, a generalization of the pulsating string allowing for unconstrained zero-modes. This solution shows classical integrability and invariance under the isometries SO(2,4) x SO(6) at the quantum level. Arguing heuristically about the effects of supersymmetry, we indeed recover the first non-trivial quantum correction to the Konishi anomalous dimension. We continue by implementing static gauge for the full AdS{sub 5} x S{sup 5} superstring and find elegant expressions for the Lagrangian density and the supercharges. We then constrain our interest to the superparticle and, using two different methods, find canonical coordinates at quadratic order in fermions. We conclude by exploring another quantization scheme: As the single-mode string is nothing but the SO(2,4) x SO(6) orbit of the pulsating string, we apply orbit method quantization to the particle and spinning string solutions in bosonic AdS{sub 3} x S

  7. Radiation Failures in Intel 14nm Microprocessors

    Science.gov (United States)

    Bossev, Dobrin P.; Duncan, Adam R.; Gadlage, Matthew J.; Roach, Austin H.; Kay, Matthew J.; Szabo, Carl; Berger, Tammy J.; York, Darin A.; Williams, Aaron; LaBel, K.; hide

    2016-01-01

    In this study the 14 nm Intel Broadwell 5th generation core series 5005U-i3 and 5200U-i5 was mounted on Dell Inspiron laptops, MSI Cubi and Gigabyte Brix barebones and tested with Windows 8 and CentOS7 at idle. Heavy-ion-induced hard- and catastrophic failures do not appear to be related to the Intel 14nm Tri-Gate FinFET process. They originate from a small (9 m 140 m) area on the 32nm planar PCH die (not the CPU) as initially speculated. The hard failures seem to be due to a SEE but the exact physical mechanism has yet to be identified. Some possibilities include latch-ups, charge ion trapping or implantation, ion channels, or a combination of those (in biased conditions). The mechanism of the catastrophic failures seems related to the presence of electric power (1.05V core voltage). The 1064 nm laser mimics ionization radiation and induces soft- and hard failures as a direct result of electron-hole pair production, not heat. The 14nm FinFET processes continue to look promising for space radiation environments.

  8. Improvement of the specific capacitance of V{sub 2}O{sub 5} nanobelts as supercapacitor electrode by tungsten doping

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jiqi [School of Chemistry, Dalian University of Technology, Dalian 116024 (China); Zhang, Yifu, E-mail: yfzhang@dlut.edu.cn [School of Chemistry, Dalian University of Technology, Dalian 116024 (China); Jing, Xuyang [College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029 (China); Wang, Qiushi; Hu, Tao [School of Chemistry, Dalian University of Technology, Dalian 116024 (China); Xing, Na [College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029 (China); Meng, Changgong [School of Chemistry, Dalian University of Technology, Dalian 116024 (China)

    2017-01-15

    Tungsten doped vanadium pentoxide (W-doped V{sub 2}O{sub 5}) nanobelts were successfully synthesized by a facile hydrothermal route and combination of calcination. The results revealed that W atoms were successfully doped into the crystal lattice of V{sub 2}O{sub 5} matrix, indicating that the homogeneous solid-solutions of W-doped V{sub 2}O{sub 5} nanobelts were obtained. The electrochemical properties of W-doped V{sub 2}O{sub 5} nanobelts as supercapacitor electrode were investigated by cyclic voltammetry (CV) and galvanostatic charge discharge (GCD) methods. W-doped V{sub 2}O{sub 5} nanobelts exhibit the excellent capacity and good rate capability. Their specific capacitance are 407, 381, 350, 328, 295 and 273 F g{sup −1} at the current density of 0.5, 1, 2, 5, 10 and 20 A g{sup −1}, respectively. W-doped V{sub 2}O{sub 5} nanobelts also show excellent energy densities of 246, 217, 212, 199, 178 and 165 W h kg{sup −1} at a power densities of 0.99, 1.98, 3.96, 9.90, 19.80 and 39.60 kW kg{sup −1}. The specific capacitance of W-doped V{sub 2}O{sub 5} nanobelts is much higher than the previous values of V{sub 2}O{sub 5} materials, achieving the aim of improving the specific capacitance of V{sub 2}O{sub 5} nanobelts. - Graphical abstract: The specific capacitance of V{sub 2}O{sub 5} nanobelts can be greatly improved by W doping. - Highlights: • Homogeneous solid-solutions of W-doped V{sub 2}O{sub 5} were prepared. • W-doped V{sub 2}O{sub 5} nanobelts exhibit excellent electrochemical property. • High specific capacitance of 407 F g{sup −1} at 0.5 A g{sup −1} was achieved. • Specific capacitance of V{sub 2}O{sub 5} nanobelts was improved by doping method.

  9. The ‘sub’ metallide oxide hydrides Sr{sub 21}Si{sub 2}O{sub 5}H{sub 12+x} and Ba{sub 21}M{sub 2}O{sub 5}H{sub 12+x} (M = Zn, Cd, Hg, In, Tl, Si, Ge, Sn, Pb, As, Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Jehle, Michael; Hoffmann, Anke [Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, D-79104 Freiburg (Germany); Kohlmann, Holger [Institut für Anorganische Chemie, Universität Leipzig, Johannisallee 29, D-04103 Leipzig (Germany); Scherer, Harald [Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, D-79104 Freiburg (Germany); Röhr, Caroline, E-mail: caroline@ruby.chemie.uni-freiburg.de [Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, D-79104 Freiburg (Germany)

    2015-02-25

    Highlights: • The sub metallide oxide hydrides (Sr/Ba){sub 21}M{sub 2}O{sub 5}H{sub 12+x} were prepared for 14 M elements. • M covers a wide range of elements, from the Zn group to the pentels. • The ionic partial structure contains isolated M anions and suboxide clusters [O{sub 5}A{sub 18}]. • The H-content was determined by neutron diffraction and {sup 1}H/{sup 2}D MAS-NMR spectroscopy. • Band structure calculations support the H/D content and distribution. - Abstract: The title compounds sporting a great variety of anions M of different formal charges have been synthesized from melts of the composition A:M:O:H/D = 21:2:5:24, using BaH{sub 2}/SrH{sub 2} as hydrogen sources. All phases were characterized by means of single crystal X-ray data [cubic, space group Fd3{sup ¯}m; Sr{sub 21}Si{sub 2}O{sub 5}H{sub 12+x}: a = 1911.90(1) pm, R1 = 0.0201; for the barium phases with Zn (a = 2041.7(3) pm, R1 = 0.077), Cd (a = 2063.3(1) pm, R1 = 0.051), Hg (a = 2050.7(1) pm, R1 = 0.059), In (a = 2060.7(1) pm, R1 = 0.101), Tl (a = 2068.1(10) pm, R1 = 0.0485), Si (a = 2033.6(1) pm, R1 = 0.045), Ge (a = 2035.6(1) pm, R1 = 0.037), Sn (a = 2053.2(2) pm, R1 = 0.054), Pb (a = 2059.7(1) pm, R1 = 0.056), As (a = 2023.0(3) pm, R1 = 0.087), Sb (a = 2041.9(1) pm, R1 = 0.067) and Bi (a = 2045.9(1) pm, R1 = 0.075)]. Neutron powder diffraction data collected for the Ba silicide (both H and D compound) were refined by the Rietveld method (a = 2037.0(1), R{sub p} = 0.0173; wR{sub p} = 0.0304, R(F{sup 2}) = 0.086). The statistically occupied (H/D)(1) site 96g, which corresponds to the carbon position inSr{sub 21}Si{sub 2}O{sub 5}C{sub 6}, together with two further sparsely occupied sites (H/D)(2,3), yields the overall composition Ba{sub 21}Si{sub 2}O{sub 5}D{sub 14}. The hydrogen content, its chemical character and the distribution among the three H/D positions was evaluated by {sup 1}H/{sup 2}H MAS NMR spectroscopy for the Si, Ge and Sb compound. The crystal structure exhibits two

  10. Rate of hydrogen motion in Ni-substituted LaNi{sub 5}H{sub x} from NMR

    Energy Technology Data Exchange (ETDEWEB)

    Mendenhall, Michael P. [Washington University, Department of Physics, Saint Louis, MO 63130 (United States); Bowman, Robert C. [Jet Propulsion Laboratory, California Institute of Technology, Mail Stop 79-24, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Ivancic, Timothy M. [Washington University, Department of Physics, Saint Louis, MO 63130 (United States); Conradi, Mark S. [Washington University, Department of Physics, Saint Louis, MO 63130 (United States)], E-mail: msc@wuphys.wustl.edu

    2007-10-31

    Partial substitution of Sn, Ge, or Si for Ni in LaNi{sub 5}H{sub x} greatly enhances the stability under repeated hydrogen-cycling. Proton NMR relaxation measurements are reported here to determine the rates of H hopping in the substituted metals LaNi{sub 4.6}M{sub 0.4}H{sub x} with M = Sn, Ge, and Si, for comparison to bare LaNi{sub 5}H{sub x}. The relaxation times T{sub 2}{sup *} (FID), T{sub 2} (Hahn echo), T{sub 2}-CPMG, T{sub 1}, and T{sub 1{rho}} were determined from 130 to 375 K. The three substituents result in only small increases in the average rate of motion at a given temperature but with a broader distribution of rates over the many inequivalent H sites and hopping paths. Evidently, the average energy barriers along the paths for H motion are only little affected by these substituents. Changes of H content x produce only minor changes in the relaxation times.

  11. Yb{sub 6}Ir{sub 5}Ga{sub 7} - a MgZn{sub 2} superstructure

    Energy Technology Data Exchange (ETDEWEB)

    Seidel, Stefan; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Corrensstrasse 30, 48149, Muenster (Germany)

    2017-02-15

    The gallide Yb{sub 6}Ir{sub 5}Ga{sub 7} was synthesized by high-frequency melting of the elements in a sealed niobium ampoule. The structure was refined from single-crystal X-ray diffractometer data: Nb{sub 6.4}Ir{sub 4}Al{sub 7.6} type, P6{sub 3}/mcm, a = 930.4(1), c = 843.0(1) pm, wR{sub 2} = 0.0597, 379 F{sup 2} values and 22 variables. Yb{sub 6}Ir{sub 5}Ga{sub 7} adopts a superstructure of the MgZn{sub 2} Laves phase by a complete ordering of the iridium and gallium atoms on the zinc substructure, i.e. the network consists of ordered and condensed Ir{sub 3}Ga and IrGa{sub 3} tetrahedra with Ir-Ga distances ranging from 260 to 265 pm. The crystal chemical details and the underlying group-subgroup scheme are discussed. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. High-pressure studies on a new superconducting clathrate: Ba sub 6 Ge sub 2 sub 5

    CERN Document Server

    Yuan, H Q; Carrillo-Cabrera, W; Paschen, S; Sparn, G; Baenitz, M; Grin, Y; Steglich, F

    2002-01-01

    The effect of pressure on the low-temperature states of the newly discovered clathrate Ba sub 6 Ge sub 2 sub 5 is investigated by means of measurements of the electrical resistivity. At ambient pressure, Ba sub 6 Ge sub 2 sub 5 undergoes a two-step structural phase transition between 230 and 180 K from metallic behaviour to a high-resistivity state characterized by a mean free path of about 3 A. Interestingly, a Bardeen-Cooper-Schrieffer-like (BCS-like) superconducting transition occurs at T sub C approx 0.24 K from the resulting 'bad metal'. With increasing pressure, the structural phase transition is depressed but T sub C increases drastically. T sub C reaches a maximum value of 3.85 K at the critical pressure p sub C approx 2.8 GPa, where the structural distortion is completely suppressed and the system exhibits metallic behaviour. Higher pressures lead to a slight decrease of T sub C.

  13. Palladium mixed-metal surface-modified AB<sub>5-type intermetallides enhance hydrogen sorption kinetics

    Directory of Open Access Journals (Sweden)

    Roman V. Denys

    2010-09-01

    Full Text Available Surface engineering approaches were adopted in the preparation of advanced hydrogen sorption materials, based on ‘low-temperature’, AB<sub>5-type intermetallides. The approaches investigated included micro-encapsulation with palladium and mixed-metal mantles using electroless plating. The influence of micro-encapsulation on the surface morphology and kinetics of hydrogen charging were investigated. It was found that palladium-nickel (Pd-Ni co-deposition by electroless plating significantly improved the kinetics of hydrogen charging of the AB<sub>5-type intermetallides at low hydrogen pressure and temperature, after long-term pre-exposure to air. The improvement in the kinetics of hydrogen charging was credited to a synergistic effect between the palladium and nickel atoms in the catalytic mantle and the formation of an ‘interfacial bridge’ for hydrogen diffusion by the nickel atoms in the deposited layer. The developed surface-modified materials may find application in highly selective hydrogen extraction, purification, and storage from impure hydrogen feeds.

  14. Biodegradation and detoxification of melanoidin from distillery effluent using an aerobic bacterial strain SAG{sub 5} of Alcaligenes faecalis

    Energy Technology Data Exchange (ETDEWEB)

    Santal, Anita Rani, E-mail: anita.gangotra@gmail.com [Department of Microbiology, Maharshi Dayanand University, Rohtak-124001, Haryana (India); Singh, N.P. [Centre for Biotechnology, Maharshi Dayanand University, Rohtak-124001, Haryana (India); Saharan, Baljeet Singh [Department of Microbiology, Kurukshetra University, Kurukshetra-136119, Haryana (India)

    2011-10-15

    Highlights: {yields} The Alcaligenes faecalis strain SAG{sub 5} decolorizes 72.6 {+-} 0.56% of melanoidins. {yields} The decolorization was achieved at pH 7.5 and temperature 37 {sup o}C on 5th day. {yields} The distillery effluent after biological treatment is environmentally safe. - Abstract: Distillery effluent retains very dark brown color even after anaerobic treatment due to presence of various water soluble, recalcitrant and coloring compounds mainly melanoidins. In laboratory conditions, melanoidin decolorizing bacteria was isolated and optimized the cultural conditions at various incubation temperatures, pH, carbon sources, nitrogen sources and combined effect of both carbon and nitrogen sources. The optimum decolorization (72.6 {+-} 0.56%) of melanoidins was achieved at pH 7.5 and temperature 37 {sup o}C on 5th day of cultivation. The toxicity evaluation with mung bean (Vigna radiata) revealed that the raw distillery effluent was environmentally highly toxic as compared to biologically treated distillery effluent, which indicated that the effluent after bacterial treatment is environmentally safe. This proves to be novel biological treatment technique for biodegradation and detoxification of melanoidin from distillery effluent using the bacterial strain SAG{sub 5}.

  15. Nanostructured rare earth doped Nb{sub 2}O{sub 5}: Structural, optical properties and their correlation with photonic applications

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, Rafael Ramiro; Aquino, Felipe Thomaz [Departamento de Química, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Av. Bandeirantes 3900, Ribeirão Preto, SP CEP 14040-901 (Brazil); Ferrier, Alban [PSL Research University, Chimie ParisTech-CNRS, Institut de Recherche de Chimie Paris, 75005 Paris (France); Sorbonne Universités, UPMC Univ Paris 06, 75005 Paris (France); Goldner, Philippe [PSL Research University, Chimie ParisTech-CNRS, Institut de Recherche de Chimie Paris, 75005 Paris (France); Gonçalves, Rogéria R., E-mail: rrgoncalves@ffclrp.usp.br [Departamento de Química, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Av. Bandeirantes 3900, Ribeirão Preto, SP CEP 14040-901 (Brazil)

    2016-02-15

    In the present work, we report on a systematic study on structural and spectroscopic properties Eu{sup 3+} and Er{sup 3+}-doped Nb{sub 2}O{sub 5} prepared by sol–gel method. The Eu{sup 3+} ions were used as structural probe to determine the symmetry sites occupied by lanthanide ions. The Eu{sup 3+}-doped Nb{sub 2}O{sub 5} nanocrystalline powders were annealed at different temperatures to verify how the different Nb{sub 2}O{sub 5} crystalline phases affect the structure and the luminescence properties. Er{sup 3+}-doped Nb{sub 2}O{sub 5} was prepared showing an intense NIR luminescence, and, visible luminescence on the green and red, deriving from upconversion process. The synthetized materials can find widespread applicability in photonics as red luminophor for white LED (with tricolor), optical amplifiers and upconverter materials. - Highlights: • Vis and NIR emission from nanostructured lanthanide doped Nb{sub 2}O{sub 5}. • Eu{sup 3+}-doped Nb{sub 2}O{sub 5} as Red luminophor. • Multicolor tunability of intense upconversion emission from lanthanide doped Nb{sub 2}O{sub 5}. • Potential application as biological markers. • Broad band NIR emission.

  16. Preparation of transparent Cu{sub 2}Y{sub 2}O{sub 5} thin films by RF magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Chiu, Te-Wei, E-mail: tewei@ntut.edu.tw; Chang, Chih-Hao; Yang, Li-Wei; Wang, Yung-Po

    2015-11-01

    Highlights: • Cu{sub 2}Y{sub 2}O{sub 5} thin films were prepared by RF magnetron sputtering. • Cu{sub 2}Y{sub 2}O{sub 5} thin films have high transmittance and antibacterial properties. • Mechanical properties of Cu{sub 2}Y{sub 2}O{sub 5} thin films were investigated. - Abstract: Cu{sub 2}Y{sub 2}O{sub 5} thin films were deposited on non-alkali glass substrates by RF magnetron sputtering. Its crystal structure, microstructure, optical property, mechanical property, and antibacterial activity were investigated by grazing-incidence X-ray diffraction, transmittance spectra, nanoindenter, and antibiotics test, respectively. A single-phase of Cu{sub 2}Y{sub 2}O{sub 5} was obtained while annealing at 700 °C in air and its optical transparency was >80% in the visible region. The hardness and elastic modulus of the film were 6.7 GPa and 82 GPa, respectively. Antibiotics testing result revealed that Cu{sub 2}Y{sub 2}O{sub 5} surface had a superior antibacterial performance even at a dark environment. Therefore, Cu{sub 2}Y{sub 2}O{sub 5} is a promising novel transparent antibacterial hard coating material.

  17. Core-shell structure of polypyrrole grown on V{sub 2}O{sub 5} nanoribbon as high performance anode material for supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Qunting [New Energy and Materials Laboratory (NEML), Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai (China); School of Energy, Soochow University, Suzhou, Jiangsu (China); Zhu, Yusong; Gao, Xiangwen; Wu, Yuping [New Energy and Materials Laboratory (NEML), Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai (China)

    2012-08-15

    A core-shell structure of polypyrrole grown on V{sub 2}O{sub 5} nanoribbons as a high performance anode material for supercapacitors is fabricated using anionic dodecylbenzenesulfonate (DBS{sup -}) as surfactant. Benefiting from the nanoribbon morphology of V{sub 2}O{sub 5}, the improved charge-transfer and polymeric coating effect of PPy, PPy rate at V{sub 2}O{sub 5} nanocomposites exhibits high energy density, and excellent cycling and rate capability in K{sub 2}SO{sub 4} aqueous electrolyte. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Synthesis, crystal structure refinement, and nonlinear-optical properties of CaB{sub 3}O{sub 5}(OH): Comparative crystal chemistry of calcium triborates

    Energy Technology Data Exchange (ETDEWEB)

    Yamnova, N. A., E-mail: aks.crys@gmail.com; Aksenov, S. M. [Moscow State University, Faculty of Geology (Russian Federation); Stefanovich, S. Yu. [Moscow State University, Faculty of Chemistry (Russian Federation); Volkov, A. S.; Dimitrova, O. V. [Moscow State University, Faculty of Geology (Russian Federation)

    2015-09-15

    Calcium triborate CaB{sub 3}O5(OH) obtained by hydrothermal synthesis in the Ca(OH){sub 2}–H{sub 3}BO{sub 3}–Na{sub 2}CO{sub 3}–KCl system is studied by single-crystal X-ray diffraction. The parameters of the orthorhombic unit cell are as follows: a = 13.490(1), b = 6.9576(3), and c = 4.3930(2) Å; V = 412.32(3) Å{sup 3} and space group Pna2{sub 1}. The structure is refined in the anisotropic approximation of the atomic displacement parameters to R = 4.28% using 972 vertical bar F vertical bar > 4σ(F). It is confirmed that the crystal structure of Ca triborate CaB{sub 3}O{sub 5}(OH) is identical to that described earlier. The hydrogen atom is localized. An SHG signal stronger than that of the quartz standard is registered. The phase transition of calcium triborate into calciborite is found on heating. The comparative crystal-chemical analysis of a series of borates with the general chemical formula 2CaO · 3B{sub 2}O{sub 3} · nH{sub 2}O (n = 0–13) with the constant CaO: B{sub 2}O{sub 3}= 2: 3 ratio and variable content of water is performed.

  19. Compact 2050 nm Semiconductor Diode Laser Master Oscillator, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This Phase I effort seeks to develop DFB laser master oscillators at the novel wavelength of 12050 nm. Two prototypes will be built, tested, and delivered ....

  20. Giant electrical conductivity enhancement in BaO-V{sub 2}O{sub 5}-Bi{sub 2}O{sub 3} glass by nanocrystallization

    Energy Technology Data Exchange (ETDEWEB)

    El-Desoky, M.M., E-mail: mmdesoky@gmail.com [Department of Physics, Faculty of Education, Suez Canal University, Al-Arish (Egypt)

    2010-02-15

    The effects of the annealing of 20BaO-30V{sub 2}O{sub 5}-50Bi{sub 2}O{sub 3} glass on the structural and electrical properties were studied by scanning electron micrographs (SEM), X-ray diffraction (XRD), differential scanning calorimeter (DSC) density (d) and dc conductivity ({sigma}). The XRD and SEM observations have shown that the sample under study undergoes structural changes: from amorphous at the beginning, to partly crystalline after nanocrystallization at crystallization temperature (T{sub c}) for 1 h and to colossal crystallization after the annealing at the same temperature for 24 h. The average size of these grains after nanocrystallization at T{sub c} for 1 h was estimated to be about 25-35 nm. However, the glass heat treated at T{sub c} = 580 deg. C for 24 h the microstructure changes considerably. The nanomaterials obtained by nanocrystallization at T{sub c} for 1 h exhibit giant improvement of electrical conductivity up to four order of magnitude and better thermal stability than the as-received glass. The major role in the conductivity enhancement of this nanomaterial is played by the developed interfacial regions 'conduction tissue' between crystalline and amorphous phases, in which the concentration of V{sup 4+}-V{sup 5+} pairs responsible for electron hopping is higher than inside the glassy matrix. The annealing at T{sub c} for 24 h leads to decrease of the electronic conductivity. This phenomena lead to disappearance of the abovementioned 'conduction tissue' for electrons and substantial reduction of electronic conductivity. The high temperature (above {theta}/2) dependence of conductivity could be qualitatively explained by the small polaron hopping (SPH) model. The physical parameters obtained from the best fits of this model are found reasonable and consistent with the glass compositions.

  1. Effect of cerium substitution on microstructure and Faraday rotation of Ce{sub x}Y{sub 3-x}Fe{sub 5}O{sub 12} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Shahrokhvand, S.M.; Mozaffari, M.; Rozatian, A.S.H. [University of Isfahan, Department of Physics, Faculty of Science, Isfahan (Iran, Islamic Republic of); Hamidi, S.M. [Shahid Beheshti University, Laser and Plasma Research Institute, Evin, Tehran (Iran, Islamic Republic of); Tehranchi, M.M. [Shahid Beheshti University, Laser and Plasma Research Institute, Evin, Tehran (Iran, Islamic Republic of); Shahid Beheshti University, Department of Physics, Evin, Tehran (Iran, Islamic Republic of)

    2016-01-15

    In this work, cerium-substituted yttrium iron garnet (Ce{sub x}Y{sub 3-x}Fe{sub 5}O{sub 12}, x = 0.25-1) targets were fabricated by conventional ceramic method at different temperatures, and their crystal structures were investigated by X-ray diffraction method. The results showed that the minimum calcining temperature required to get single-phase targets depends on x value and decreased by increasing x value. Then, thin films of the targets were deposited on GGG (444) single-crystal substrates by pulsed laser deposition technique. Based on the previous studies, preferred (444) oriented Ce{sub x}Y{sub 3-x}Fe{sub 5}O{sub 12} thin films were fabricated under optimum conditions. Faraday rotation of the thin films was measured at 635 nm wavelength, and the results showed that Faraday rotation and sensitivity constant increased by increasing x value. Scanning electron microscope images showed that by increasing x value, cracks on the thin films' surface increased. Atomic force microscopy images showed that the films have smooth surfaces and the surface roughness decreased by increasing the x value. (orig.)

  2. Structural, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Qi-Jun, Liu; Fu-Sheng, Liu, E-mail: qijunliu@home.swjtu.edu.cn [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu (China); Zheng-Tang, Liu [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi' an, (China)

    2015-08-15

    Structural, elastic, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} at zero and high pressure have been investigated using the plane-wave ultrasoft pseudopotential method within the density-functional theory (DFT). The pressure dependences of structural parameters, elastic constants, mechanical properties, band gaps, and density of states of monoclinic N{sub 2}H{sub 5}N{sub 3} have been calculated and discussed. The obtained results show that monoclinic N{sub 2}H{sub 5}N{sub 3} is unstable at pressures exceeding the value 126.1 GPa. The ratio of B/G and the Cauchy’s pressure indicate that monoclinic N{sub 2}H{sub 5}N{sub 3} behaves in ductile nature with pressure ranging from 0 to 200 GPa. (author)

  3. Synthesis RMn{sub 2}O{sub 5} (R = Gd and Sm) nano- and microstructures by a simple hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Zhu Gangqiang, E-mail: zgq2006@snnu.edu.cn [School of Physics and Information Technology, Shaanxi Normal University, Xi' an 710062 (China); Liu Peng [School of Physics and Information Technology, Shaanxi Normal University, Xi' an 710062 (China); Hojamberdiev, Mirabbos [Shaanxi Key Laboratory of Nano-materials and Technology, Xi' an University of Architecture and Technology, Xi' an 710055 (China); Ge Bao [School of Physics and Information Technology, Shaanxi Normal University, Xi' an 710062 (China); Liu Yun; Miao Hongyan; Tan Guoqiang [College of Materials Science and Engineering, Shaanxi University of Science and Technology, Xi' an 710021 (China)

    2009-12-15

    Single-phase RMn{sub 2}O{sub 5} (R = Gd and Sm) nano- and microstructures have been successfully synthesized via a simple hydrothermal process at 250 deg. C for 24 h using NaOH as mineralizer. X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM) and selective area electron diffraction patterns (SAED) were used to characterize the as-synthesized GdMn{sub 2}O{sub 5} and SmMn{sub 2}O{sub 5} samples. The effect of NaOH concentration and the molar ratio of Mn{sup 2+}/Mn{sup 7+} on the morphology and size of the final products was studied, and a possible formation mechanism of RMn{sub 2}O{sub 5} (R = Gd and Sm) nanoplates and nanorods under hydrothermal conditions was proposed.

  4. A determination of the oxygen non-stoichiometry of the oxygen storage materials LnBaMn{sub 2}O{sub 5+δ} (Ln=Gd, Pr)

    Energy Technology Data Exchange (ETDEWEB)

    Jeamjumnunja, Kannika; Gong, Wenquan; Makarenko, Tatyana; Jacobson, Allan J., E-mail: ajjacob@uh.edu

    2016-07-15

    The A-site ordered double-perovskite oxides, LnBaMn{sub 2}O{sub 5+δ} (Ln=Gd, Pr), were synthesized and investigated to understand the effect of A site cation substitution on the oxygen storage properties of these materials. The present results are compared with our previous data for YBaMn{sub 2}O{sub 5+δ}. The results clearly reveal that changing the Ln cation strongly influences the oxidation/reduction behavior of LnBaMn{sub 2}O{sub 5+δ}. Based on thermogravimetric analysis data, oxygen uptake begins at lower temperatures in both air and oxygen in compounds with Ln{sup 3+} ions larger than Y{sup 3+}. These oxides exhibit almost complete and reversible oxygen uptake/release between fully-reduced LnBaMn{sub 2}O{sub 5} and fully-oxidized LnBaMn{sub 2}O{sub 6} during changes of the oxygen partial pressure between air and 1.99% H{sub 2}/Ar. In addition, the oxygen non-stoichiometries of GdBaMn{sub 2}O{sub 5+δ} and PrBaMn{sub 2}O{sub 5+δ} were determined as a function of pO{sub 2} at 600, 650, 700 and 750 °C by Coulometric titration at near-equilibrium conditions. The results confirm that these materials have two distinct phases on oxidation/reduction with δ≈0, 0.5 and a third phase with a range of composition with an oxygen content (5+δ) approaching ~6. The stabilities of the LnBaMn{sub 2}O{sub 5+δ} phases extend over a wide range of oxygen partial pressures (∼10{sup −25}≤pO{sub 2} (atm)≤∼1) depending on temperature. Isothermal experiments show that the larger the Ln{sup 3+} cation the lower pO{sub 2} for phase conversion. At some temperatures and pO{sub 2} conditions, the LnBaMn{sub 2}O{sub 5+δ} compounds are unstable with respect to decomposition to BaMnO{sub 3−δ} and LnMnO{sub 3}. This instability is more apparent in Coulometric titration experiments than in thermogravimetric analysis. The Coulometric titration experiments are necessarily slow in order to achieve equilibrium oxygen compositions. - Graphical abstract: Structure of Ln

  5. On the nature of phase transitions in the tetragonal tungsten bronze GdK{sub 2}Nb{sub 5}O{sub 15} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Gagou, Y.; Lukyanchuk, I.; El Marssi, M., E-mail: mimoun.elmarssi@u-picardie.fr [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, 33 rue Saint-Leu, 80039 Amiens Cedex (France); Amira, Y. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, 33 rue Saint-Leu, 80039 Amiens Cedex (France); Laboratoire de la Matière Condensée et Nanostructures, FSTG, Université Cadi Ayyad Marrakech, Maroc (Morocco); Mezzane, D. [Laboratoire de la Matière Condensée et Nanostructures, FSTG, Université Cadi Ayyad Marrakech, Maroc (Morocco); Courty, M.; Masquelier, C. [Laboratoire de Réactivité et Chimie des Solides, UMR 7314, Université de Picardie Jules Verne, Pôle Scientifique, 33 rue Saint-Leu, 80039 Amiens Cedex 1 (France); Yuzyuk, Yu. I. [Faculty of Physics, Southern Federal University, 5, Zorge Str. Rostov-on-Don 344090 (Russian Federation)

    2014-02-14

    Phase transitions in gadolinium potassium niobate GdK{sub 2}Nb{sub 5}O{sub 15} (GKN) ceramics have been investigated by x-ray diffraction, dielectric susceptibility, differential scanning calorimetry, and Raman scattering. The results of our complementary studies show that GKN exhibits two phase transitions at T{sub c1} = 238 °C and T{sub c2} = 375 °C attributed to the ferroelectric-antiferroelectric-paraelectric (FE-AFE-PE) phase transitions. According to the x-ray diffraction analysis, the FE and PE phases were refined in the polar P4bm and centrosymmetric P4/mbm space groups. For the intermediate phase, the structure is refined in the space group P4nc with doubling of the c unit cell parameter, which is compatible with an AFE phase. This result was confirmed by Raman spectroscopy since new low-frequency lines are activated in the AFE phase due to the Brillouin zone-folding effect, typical for the modulated phases. The presence of the AFE phase between the FE and PE phases and the complex nature of tetragonal tungsten bronze crystal structure can explain the large thermal hysteresis observed at the FE-AFE transition between heating and cooling cycle and the strong depression of the Curie-Weiss temperature T{sub 0}. The semi-phenomenological Ising-like model based on the obtained experimental data is proposed to account for the observed FE-AFE-PE transition sequence.

  6. Luminescence and scintillation timing characteristics of (Lu{sub x}Gd{sub 2−x})SiO{sub 5}:Ce single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yawai, Nattasuda; Chewpraditkul, Warut; Sakthong, Ongsa [Faculty of Science, King Mongkut' s University of Technology Thonburi, Bangkok10140 (Thailand); Chewpraditkul, Weerapong, E-mail: weerapong.che@kmutt.ac.th [Faculty of Science, King Mongkut' s University of Technology Thonburi, Bangkok10140 (Thailand); Wantong, Kriangkrai [Faculty of Science, King Mongkut' s University of Technology Thonburi, Bangkok10140 (Thailand); Szczesniak, Tomasz; Swiderski, Lukasz; Moszynski, Marek [National Centre for Nuclear Research, A. Soltana 7, PL 05-400 Otwock-Swierk (Poland); Sidletskiy, Oleg [Institute for Scintillation Materials NAS of Ukraine, 60 Nauky Avenue, 61001 Kharkiv (Ukraine)

    2017-02-01

    The luminescence and scintillation characteristics of cerium-doped lutetium-gadolinium orthosilicate (Lu{sub x}Gd{sub 2−x}SiO{sub 5}:Ce; x=0, 0.8, 1.8) single crystals were investigated. At 662 keV γ-rays, the light yield of 29,800±3000 ph MeV{sup −1} obtained for Lu{sub 1.8}Gd{sub 0.2}SiO{sub 5}:Ce is higher than that of 20,200±2000 and 11,800±1200 ph MeV{sup −1} obtained for Lu{sub 0.8}Gd{sub 1.2}SiO{sub 5}:Ce and Gd{sub 2}SiO{sub 5}:Ce, respectively. The fast component decay time of 32, 18 and 17 ns was measured in the scintillation decay of Gd{sub 2}SiO{sub 5}:Ce, Lu{sub 0.8}Gd{sub 1.2}SiO{sub 5}:Ce and Lu{sub 1.8}Gd{sub 0.2}SiO{sub 5}:Ce, respectively. The coincidence time spectra for 511 keV annihilation quanta were measured in reference to a fast BaF{sub 2} detector and time resolution was discussed in terms of a number of photoelectrons and decay time of the fast component. The mass attenuation coefficient for studied crystals at 60 and 662 keV γ-rays was also evaluated and discussed. - Highlights: • Scintillation timing characteristics of Lu{sub x}Gd{sub 2−x}SiO{sub 5}:Ce crystals are studied. • Lu{sub 1.8}Gd{sub 0.2}SiO{sub 5}:Ce exhibits excellent light yield and timing response. • Energy resolution of 6% @662 keV is obtained for Lu{sub 0.8}Gd{sub 1.2}SiO{sub 5}:Ce. • Coincidence time resolution of 368 ps is obtained for Lu{sub 1.8}Gd{sub 0.2}SiO{sub 5}:Ce.

  7. Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24}: A new anode material for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Chunfu, E-mail: linchunfu@hainu.edu.cn [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228, Hainan (China); Deng, Shengjue; Shen, Hong; Wang, Guizhen; Li, Yanfang; Yu, Lei; Lin, Shiwei; Li, Jianbao [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228, Hainan (China); Lu, Li, E-mail: luli@nus.edu.sg [Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore 117576 (Singapore)

    2015-11-25

    Li{sub 4}Ti{sub 5}O{sub 12} suffers from its small theoretical capacity and low conductivity, limiting its practical applications in lithium-ion batteries. Although its conductivity has been improved, its theoretical capacity has not been increased so far. Here, for the first time, the capacity of Li{sub 4}Ti{sub 5}O{sub 12} is increased by combining Ti{sup 3+}/Ti{sup 4+} and Cr{sup 2+}/Cr{sup 3+} redox couples. Spinel Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} with a larger theoretical capacity of 323 mAh g{sup −1} is designed and fabricated through a facile solid-state reaction method. The as-fabricated Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} delivers a large initial discharge capacity of 311 mAh g{sup −1} between 3 and 0.001 V (vs. Li/Li{sup +}) at a current density of 62.5 mA g{sup −1}, which is larger than that of Li{sub 4}Ti{sub 5}O{sub 12}. Furthermore, it exhibits good (electronic and ionic) conductivity and a high rate performance. - Highlights: • Capacity of Li{sub 4}Ti{sub 5}O{sub 12} is increased by combining Ti{sup 3+}/Ti{sup 4+} and Cr{sup 2+}/Cr{sup 3+} couples. • Spinel Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} with a larger theoretical capacity of 323 mAh g{sup −1} is prepared. • Discharge and charge capacities of Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} are larger than those of Li{sub 4}Ti{sub 5}O{sub 12}. • Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} shows a large electronic conductivity and Li{sup +} diffusion coefficient. • Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} further exhibits an ultra-high rate performance and good cyclability.

  8. Oxygen vacancy defects in Ta{sub 2}O{sub 5} showing long-range atomic re-arrangements

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yuzheng; Robertson, John [Engineering Department, Cambridge University, Cambridge CB2 1PZ (United Kingdom)

    2014-03-17

    The structure, formation energy, and energy levels of the various oxygen vacancies in Ta{sub 2}O{sub 5} have been calculated using the λ phase model. The intra-layer vacancies give rise to unusual, long-range bonding rearrangements, which are different for each defect charge state. The 2-fold coordinated intra-layer vacancy is the lowest cost vacancy and forms a deep level 1.5 eV below the conduction band edge. The 3-fold intra-layer vacancy and the 2-fold inter-layer vacancy are higher cost defects, and form shallower levels. The unusual bonding rearrangements lead to low oxygen migration barriers, which are useful for resistive random access memory applications.

  9. Carbon coated Li{sub 4}Ti{sub 5}O{sub 12} nanorods as superior anode material for high rate lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Hongjun; Shen, Laifa; Rui, Kun; Li, Hongsen; Zhang, Xiaogang, E-mail: azhangxg@nuaa.edu.cn

    2013-09-25

    Highlights: •A novel approach has been developed to fabricate 1D Li{sub 4}Ti{sub 5}O{sub 12}/C nanorods by a wet-chemical route. •Carbon coating layer effectively restrict the particle growth and enhance electronic conductivity. •The Li{sub 4}Ti{sub 5}O{sub 12}/C nanorods exhibit remarkable rate capability and long cycle life. -- Abstract: We describe a novel approach for the synthesis of carbon coated Li{sub 4}Ti{sub 5}O{sub 12} (Li{sub 4}Ti{sub 5}O{sub 12}/C) nanorods for high rate lithium ion batteries. The carbon coated TiO{sub 2} nanotubes using the glucose as carbon source are first synthesized by hydrothermal treatment. The commercial anatase TiO{sub 2} powder is immersed in KOH sulotion and subsequently transforms into Li{sub 4}Ti{sub 5}O{sub 12}/C in LiOH solution under hydrothermal condition. Field-emission scanning electron microscopy, transmission electron microscopy, X-ray diffraction, nitrogen adsorption/desorption and Raman spectra are performed to characterize their morphologies and structures. Compared with the pristine Li{sub 4}Ti{sub 5}O{sub 12}, one-dimensional (1D) Li{sub 4}Ti{sub 5}O{sub 12}/C nanostructures show much better rate capability and cycling stability. The 1D Li{sub 4}Ti{sub 5}O{sub 12}/C architectures effectively restrict the particle growth and enhance their electronic conductivity, enabling fast ion and electron transport.

  10. Effect of strip temperature on the formation of an Fe{sub 2}Al{sub 5} inhibition layer during hot-dip galvanizing

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, Monojit [R and D Division, Tata Steel Ltd., Jamshedpur 831001 (India)], E-mail: monoron@yahoo.com; Singh, Shiv Brat [Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Kharagpur 721302 (India)

    2009-04-15

    The theory of nucleation has been employed to derive expressions for the formation of an Fe{sub 2}Al{sub 5} layer during commercial strip galvanizing. This is then used to show the effect of the strip entry temperature on the nucleation of the Fe{sub 2}Al{sub 5} layer. An attempt was also made to verify this effect through controlled experiments in a hot-dip galvanizing simulator and electron microscopic characterization of a few samples.

  11. Fast response of sprayed vanadium pentoxide (V{sub 2}O{sub 5}) nanorods towards nitrogen dioxide (NO{sub 2}) gas detection

    Energy Technology Data Exchange (ETDEWEB)

    Mane, A.A. [Thin Film Nanomaterials Laboratory, Department of Physics, Shivaji University, Kolhapur 416 004 (India); General Science and Humanities Department, Sant Gajanan Maharaj College of Engineering, Mahagaon, 416 503 (India); Suryawanshi, M.P. [Optoelectronics Convergence Research Center, Department of Materials Science and Engineering, Chonnam National University, 300, Yongbong-Dong, Buk-Gu, Gwangju 500-757 (Korea, Republic of); Kim, J.H., E-mail: jinhyeok@chonnam.ac.kr [Optoelectronics Convergence Research Center, Department of Materials Science and Engineering, Chonnam National University, 300, Yongbong-Dong, Buk-Gu, Gwangju 500-757 (Korea, Republic of); Moholkar, A.V., E-mail: avmoholkar@gmail.com [Thin Film Nanomaterials Laboratory, Department of Physics, Shivaji University, Kolhapur 416 004 (India)

    2017-05-01

    Highlights: • Effect of solution concentration on physicochemical properties of sprayed V{sub 2}O{sub 5} nanorods is studied. • Good response and short response-recovery times of V{sub 2}O{sub 5} nanorods towards NO{sub 2} gas show it is potential material for fabrication of NO{sub 2} sensor. • The chemisorption mechanism of NO{sub 2} gas on the V{sub 2}O{sub 5} nanorods is discussed. - Abstract: The V{sub 2}O{sub 5} nanorods have been successfully spray deposited at optimized substrate temperature of 400 °C onto the glass substrates using vanadium trichloride (VCl{sub 3}) solution of different concentrations. The effect of solution concentration on the physicochemical and NO{sub 2} gas sensing properties of sprayed V{sub 2}O{sub 5} nanorods is studied at different operating temperatures and gas concentrations. The XRD study reveals the formation of V{sub 2}O{sub 5} having an orthorhombic symmetry. The FE-SEM micrographs show the nanorods-like morphology of V{sub 2}O{sub 5}. The AFM micrographs exhibit a well covered granular surface topography. For direct allowed transition, the band gap energy values are found to be decreased from 2.45 eV to 2.42 eV. The nanorods deposited with 30 mM solution concentration shows the maximum response of 24.2% for 100 ppm NO{sub 2} gas concentration at an operating temperature of 200 °C with response and recovery times of 13 s and 140 s, respectively. Finally, the chemisorption mechanism of NO{sub 2} gas on the V{sub 2}O{sub 5} nanorods is discussed.

  12. Energy transfer and downconversion near-infrared material of Tb{sup 3+} and Yb{sup 3+} doped Ca{sub 5}(BO{sub 3}){sub 3}F

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Dejian; Li, Jin-Yan [School of Metallurgy and Chemistry Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi (China); Lin, Huihong, E-mail: linhh@hstc.edu.cn [School of Chemical and Environmental Engineering, Hanshan Normal University, Chaozhou 521041, Guangdong (China); Zhang, Jingxiang [School of Chemical and Environmental Engineering, Hanshan Normal University, Chaozhou 521041, Guangdong (China)

    2016-11-01

    Yb{sup 3+} and Tb{sup 3+} singly doped and Tb{sup 3+}–Yb{sup 3+} co-doped Ca{sub 5}(BO{sub 3}){sub 3}F phosphors were prepared by a solid state reaction method. The luminescence emission and excitation spectra as well as the luminescence decay curves were investigated. The emission bands of Yb{sup 3+} ion are located around 1000 nm, matching well with the optimal response of Si-based solar cells. Tb{sup 3+} can be a sensitizer for Yb{sup 3+} in the host. The energy transfer from Tb{sup 3+} to Yb{sup 3+} was investigated, the energy transfer mechanism was proposed as cooperative energy transfer. Tb{sup 3+} concentration dependent quantum efficiency was calculated and the maximum efficiency approached 115.5%.

  13. The Pr sub 0 sub . sub 5 Ca sub 0 sub . sub 5 Mn sub 1 sub - sub x Cr sub x O sub 3 series (0 <= x <= 0.5): evidence of steps in the magnetic and transport properties for a narrow composition range

    CERN Document Server

    Pi, L; Yaicle, C; Martin, C; Maignan, A; Raveau, B

    2003-01-01

    The Pr sub 0 sub . sub 5 Ca sub 0 sub . sub 5 Mn sub 1 sub - sub x Cr sub x O sub 3 series has been investigated up to x = 0.5. For low doping content (x 0.04-0.06, is completely different from the low-x side.

  14. 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.

  15. Emulsion-phase synthesis of honeycomb-like Mg{sub 5}(OH){sub 2}(CO{sub 3}){sub 4}.4H{sub 2}O micro-spheres and subsequent decomposition to MgO

    Energy Technology Data Exchange (ETDEWEB)

    Gao Guo, E-mail: gaogaoguoguo@yahoo.com.c [Department of Bio-Nano-Science and Engineering, National Key Laboratory of Nano/Micro Fabrication Technology, Key Laboratory for Thin Film and Microfabrication of Ministry of Education, Institute of Micro-Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China); Xiang Lan, E-mail: xianglan@mail.tsinghua.edu.c [Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China)

    2010-04-09

    Herein we report a simple emulsion-phase route for the synthesis of honeycomb-like basic magnesium carbonate (BMC, Mg{sub 5}(OH){sub 2}(CO{sub 3}){sub 4}.4H{sub 2}O) micro-spheres at 80 {sup o}C. Magnesium(II) salts in water are precipitated by sodium carbonate in the presence of cetyltrimethylammonium bromide (CTAB). Scanning electron microscopy shows the obtained BMC samples are composed of a lot of micro-spheres (diameter ranging from 8 to 10 {mu}m) which are interweaved by a lot of nano-sized thin sheets (thickness of 20-30 nm and length >1 {mu}m). The BMC micro-spheres prepared by this approach are porous and appear to be hollow structures. The size and shape of BMC are related to the CTAB concentration and temperature. The lower concentration of CTAB resulted in the decrease of the micro-spheres sizes. When the temperature was elevated to 110 {sup o}C, hexagonal tablets (thickness of 20 nm, length of each side varies from 400 to 600 nm) can be prepared. After the calcinations for BMC at 600 {sup o}C for 2 h, BMC are almost completely converted to MgO. Transmission electron microscopy indicates that the obtained MgO samples have a poly-crystalline feature. The possible formation mechanism of BMC micro-spheres has been discussed.

  16. Dual mode NIR long persistent phosphorescence and NIR-to-NIR Stokes luminescence in La{sub 3}Ga{sub 5}GeO{sub 14}: Cr{sup 3+}, Nd{sup 3+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yiling; Li, Yang, E-mail: msliyang@scut.edu.cn; Qin, Xixi; Chen, Ruchun; Wu, Dakun; Liu, Shijian; Qiu, Jianrong, E-mail: qjr@scut.edu.cn

    2015-11-15

    Recently, long persistent phosphors (LPPs) have been considered to be the most prominent candidates for biomedical applications. However, the LPPs suffer from a dramatic decrease in luminescence intensity after incorporation into the tissue. Therefore, it is very necessary to develop the more competitive LPPs and acquire the reproducible tissue imaging. Here, we propose and experimentally demonstrate an effective bifunctional La{sub 3}Ga{sub 5}GeO{sub 14}: Cr{sup 3+}, Nd{sup 3+} phosphor with the interesting characteristic of near-infrared long persistent phosphorescence and NIR-to-NIR Stokes luminescence. Cr{sup 3+} and Nd{sup 3+} ions are simultaneously selected as the emission centers in order to take advantage of the remarkable phosphorescence properties of Cr{sup 3+}, and the appropriate energy level characteristic of NIR-excitation band (808 nm) and NIR-emission (1064 nm), and the ability as the brilliant auxiliary to create more efficient defects of Nd{sup 3+}. The efficient dual-modal emission is, accordingly utilized to realize the convenient, high-resolution global detection and local imaging. - Highlights: • Dual mode phosphor with NIR long afterglow and NIR-to-NIR Stokes luminescence. • Increasing the persistent duration due to the codoping of Nd. • Avoiding the noteworthy overheating effect due to the strong absorption at 980 nm.

  17. Determination of the kinetic parameters of K{sub 2}Y F{sub 5}: Tb; Determinacion de los parametros cineticos de K{sub 2}Y F{sub 5}: Tb

    Energy Technology Data Exchange (ETDEWEB)

    Gallegos, A.A. [CICATA-IPN, Legaria 694, Col. Irrigacion, 11500 Mexico D.F. (Mexico); Khaidukov, N.M. [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation); Azorin, J. [UAM-I, 09340 Mexico D.F. (Mexico)

    2005-07-01

    In this work the K{sub 2}Y doped materials with percentages of 0.01 and 0.2 of F{sub 5} and, 0.8 and 0.99 of Tb{sup 3+} were studied to determine the kinetic parameters (activation energy and frequency factor) of TL peaks with the purpose of comparing those sensitive qualities of the materials at the doping with TR and their candidacy for tests of TL dosimetry (linearity of the response with the absorbed dose and the reproducibility of the measures of the dose). The samples were irradiated with a beta source of {sup 90} Sr/{sup 90} Y, to ambient temperature, giving its a dose of 236.6 mGy, later the kinetic parameters with different experimental procedures were determined: isothermal decay to ambient temperature and erased of peaks not desired to greater temperature than the ambient. The glow curves (TL curves) were obtained with an TL analyzer Harshaw 4000, with interface to CPU for the handling of the data of the curves, which were treated with the curve form method and the models of: Chen first approach and Chen modified, corrected Lushchik approach and Grossweiner approach, to calculate the kinetic parameters of the sample. (Author)

  18. 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)

  19. 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.

  20. Charge Density Wave in the New Polymorphs of RE 2 Ru 3 Ge <sub>5 ( RE = Pr, Sm, Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud’ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.

    2017-02-16

    A new polymorph of the RE2Ru3Ge<sub>5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc2Fe3Si<sub>5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge density wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm2Ru3Ge<sub>5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (TCDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.

  1. Improvement of the Reaction Rates of Mg with H{sub 2} by the Addition of TaF{sub 5} via Reactive Mechanical Grinding

    Energy Technology Data Exchange (ETDEWEB)

    Song, Myoung Youp [Chonbuk National University, Jeonju (Korea, Republic of); Kwak, Young Jun; Lee, Seong Ho [Chonbuk National University, Jeonju (Korea, Republic of); Park, Hye Ryoung [Chonnam National University, Gwangju (Korea, Republic of)

    2014-02-15

    A sample with a composition of 90 wt% Mg-10 wt% TaF{sub 5} (named Mg-10TaF{sub 5}) was prepared by reactive mechanical grinding, and its hydriding and dehydriding properties were examined. The activation of Mg-10TaF{sub 5} was not required. At n=1, the sample absorbed 3.63 wt% H for 5 min, 4.03 wt% H for 10 min, and 4.53 wt% H for 30 min at 593 K under 12 bar H2. At n=1, the sample desorbed 0.59 wt% H for 5 min, 1.46 wt% H for 10 min, 3.42 wt% H for 30 min, and 4.24 wt% H for 60 min at 593 K under 1.0 bar H2. Mg-10TaF{sub 5} after reactive mechanical grinding contained MgH{sub 2}, Mg, and very small amounts of MgF{sub 2} and Ta{sub 2}H. The XRD pattern of Mg-10TaF{sub 5} dehydrided at n=3 revealed Mg, MgH{sub 2}, a small amount of MgO, and very small amounts of MgF{sub 2} and Ta{sub 2}H phases. Mg-10Fe{sub 2}O{sub 3} and Mg-10MnO were reported to have quite high hydriding rate and dehydriding rates, respectively. Mg-10TaF{sub 5} had a larger initial hydriding rate but a lower quantity of hydrogen absorbed for 60 min than Mg-10Fe{sub 2}O{sub 3}. However, Mg-10TaF{sub 5} had a higher initial dehydriding rate (after the incubation period) and a larger quantity of hydrogen desorbed for 60 min than Mg-10MnO.

  2. Gas atomization processing of tin and silicon modified LaNi<sub>5 for nickel-metal hydride battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Jason [Iowa State Univ., Ames, IA (United States)

    1999-02-12

    Numerous researchers have studied the relevant material properties of so-called AB<sub>5 alloys for battery applications. These studies involved LaNi<sub>5 substituted alloys which were prepared using conventional cast and crush alloying techniques. While valuable to the understanding of metal hydride effects, the previous work nearly ignored the potential for alternative direct powder production methods, like high pressure gas atomization (HPGA). Thus, there is a need to understand the relationship between gas atomization processes, powder particle solidification phases, and hydrogen absorption properties of ultra fine (< 25 μm) atomized powders with high surface area for enhanced battery performance. Concurrently, development of a gas atomization nozzle that is more efficient than all current designs is needed to increase the yield of ultrafine AB<sub>5 alloy powder for further processing advantage. Gas atomization processing of the AB<sub>5 alloys was demonstrated to be effective in producing ultrafine spherical powders that were resilient to hydrogen cycling for the benefit of improving corrosion resistance in battery application. These ultrafine powders benefited from the rapid solidification process by having refined solute segregation in the microstructure of the gas atomized powders which enabled a rapid anneal treatment of the powders. The author has demonstrated the ability to produce high yields of ultrafine powder efficiently and cost effectively, using the new HPGA-III technology. Thus, the potential benefits of processing AB<sub>5 alloys using the new HPGA technology could reduce manufacturing cost of nickel-metal hydride powder. In the near future, the manufacture of AB<sub>5 alloy powders could become a continuous and rapid production process. The economic benefit of an improved AB<sub>5 production process may thereby encourage the use of nickel-metal hydride rechargeable batteries in electrical vehicle

  3. Preparation and characterization of Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3} composite oxide formed by cathodic electroplating and anodizing

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Joo-Hee; Kim, Tae-Yoo; Kim, Nam-Jeong; Lee, Chang-Hyoung; Park, Eun-Mi [School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Park, Chan [Division of Materials Science and Engineering, Pukyong National University, Busan 608-739 (Korea, Republic of); Suh, Su-Jeong, E-mail: suhsj@skku.ac.kr [School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Advanced Materials and Process Research Center for IT, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2011-11-15

    Highlights: > We fabricate Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3}/Al film for high performance thin film capacitor. > The optimum condition of electrolyte composition will coat NbO{sub x} on Al without corrosion of Al during the cathodic electroplating. > Increasing annealing temperature will form Nb{sub 2}O{sub 5} crystalline. > The Al{sub 2}O{sub 3} layer will form between Nb{sub 2}O{sub 5} layer and metal Al after anodizing and the thin film capacitor with Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3}/Al improve dielectric properties. - Abstract: Al foil was coated with niobium oxide by cathodic electroplating and anodized in a neutral boric acid solution to achieve high capacitance in a thin film capacitor. X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) revealed the niobium oxide layer on Al to be a hydroxide-rich amorphous phase. The film was crystalline and had stoichiometric stability after annealing at temperatures up to 600 deg. C followed by anodizing at 500 V, and the specific capacitance of the Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3} composite oxide was approximately 27% higher than that of Al{sub 2}O{sub 3} without a Nb{sub 2}O{sub 5} layer. The capacitance was quite stable to the resonance frequency. Overall, the Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3} composite oxide film is a suitable material for thin film capacitors.

  4. Electrical transport properties of V{sub 2}O{sub 5} thin films obtained by thermal annealing of layers grown by RF magnetron sputtering at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Giannetta, H.M.R., E-mail: hgiann@inti.gov.ar [Centro de Micro y Nano Electrónica del Bicentenario (CMNB), Instituto Nacional de Tecnología Industrial (INTI), San Martín, Buenos Aires (Argentina); Universidad Tecnológica Nacional (UTN) — Facultad Regional Buenos Aires (FRBA) (Argentina); Calaza, C. [Instituto de Microelectrónica de Barcelona, Centro Nacional de Microelectrónica (IMB-CNM, CSIC), Campus UAB, Bellaterra, 08193 Barcelona (Spain); Lamas, D.G. [Universidad Nacional del Comahue CONICET-CITEFA — Laboratorio de Caracterización de Materiales, Facultad de Ingeniería, Neuquen (Argentina); Fonseca, L. [Instituto de Microelectrónica de Barcelona, Centro Nacional de Microelectrónica (IMB-CNM, CSIC), Campus UAB, Bellaterra, 08193 Barcelona (Spain); Fraigi, L. [Centro de Micro y Nano Electrónica del Bicentenario (CMNB), Instituto Nacional de Tecnología Industrial (INTI), San Martín, Buenos Aires (Argentina); Universidad Tecnológica Nacional (UTN) — Facultad Regional Buenos Aires (FRBA) (Argentina)

    2015-08-31

    The present study investigates the main electrical transport mechanism in V{sub 2}O{sub 5} thin films deposited by RF magnetron sputtering on the basis of the Mott's small polaron hopping model. The material under test was obtained at room temperature from a V{sub 2}O{sub 5} target and then oxidized at high temperature under air atmosphere to obtain the desired V{sub 2}O{sub 5} phase. The dependence of the electrical conductivity of the V{sub 2}O{sub 5} thin films with temperature was analyzed using the Mott's small polarons hopping transport model under the Schnakenberg form. Model results suggest a polaron binding energy W{sub H} = 0.1682 eV, with a structural disorder energy W{sub D} = 0.2241 eV and an optical phonon frequency ν{sub 0} = 0.468 × 10{sup 13}s{sup −1}. These results are in agreement with data reported in literature for single crystal V{sub 2}O{sub 5}. However, the carrier mobility μ = 1.5019 × 10{sup −5} cm{sup 2}/Vs computed in the non-adiabatic regime is significantly smaller than that of the single crystal, suggesting a strong electron–phonon coupling in the V{sub 2}O{sub 5} thin films obtained with the proposed deposition method. - Highlights: • A two-stage deposition method compatible with lift-off patterning is proposed. • V{sub 2}O{sub 5} films are deposited by RF magnetron sputtering and then annealed in air. • Films are analyzed by SEM and its pure phase nature is confirmed by XRD. • Electrical conductivity was fitted using Mott's model for small polarons. • Fit derived parameters confirm charge transport through small-polarons hopping.

  5. Performance PtSnRh electrocatalysts supported on carbon-Sb{sub 2}O{sub 5}.SbO{sub 2} for the electro-oxidation of ethanol, prepared by an alcohol-reduction process; Desempenho de eletrocatalisadores PtSnRh suportados em carbono-Sb{sub 2}O{sub 5}.SnO{sub 2} para a oxidacao eletroquimica do etanol, preparados pelo metodo de reducao por alcool

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Jose Carlos

    2013-07-01

    PtSnRh electrocatalysts supported on carbon-Sb{sub 2}O{sub 5}.SnO{sub 2}, with metal loading of 20 wt%, were prepared by an alcohol-reduction process, using H{sub 2}PtCl{sub 6}.6H{sub 2}O (Aldrich), RhCl{sub 3}.xH{sub 2}O (Aldrich) and SnCl{sub 2}.2H{sub 2}O (Aldrich), as source of metals; Sb{sub 2}O{sub 5}.SnO{sub 2} (ATO) and carbon Vulcan XC72, as support; and ethylene glycol as reducing agent. The electrocatalysts obtained were characterized physically by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The diffractograms showed which PtSnRh/C-ATO electrocatalysts had FCC structure of Pt and Pt alloys, besides several peaks associated with SnO{sub 2} and ATO. The average sizes of crystallites were between 2 and 4 nm. TEM micrographs showed a good distribution of the nanoparticles on the support. The average sizes of particles were between 2 and 3 nm, with good agreement for the average size of the crystallites. The performances of the electrocatalysts were analyzed by electrochemical techniques and in real conditions of operation using single direct ethanol fuel cell. In the chronoamperometry at 50 deg C, the electrocatalysts with carbon (85 wt%) and ATO (15 wt%) support, showed the best activity, and the atomic proportions which achieved the best results were PtSnRh(70:25:05) e (90:05:05). PtSnRh(70:25:05)/85C+15ATO electrocatalysts showed the best performance in a direct ethanol fuel cell. (author)

  6. Density functional study of the TiN/Ge{sub 2}Sb{sub 2}Te{sub 5} interface

    Energy Technology Data Exchange (ETDEWEB)

    Mandelli, D.; Bernasconi, M. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via R. Cozzi 53, 20125 Milano (Italy); Caravati, S. [Department of Chemistry and Applied Biosciences, ETH Zurich (Switzerland); Facolta di Informatica, Istituto di Scienze Computazionali, Universita della Svizzera Italiana, Lugano (Switzerland)

    2012-11-15

    We studied the epitaxial TiN(001)/Ge{sub 2}Sb{sub 2}Te{sub 5}(001) (GST) interface of interest for applications in phase change non-volatile memories by means of density functional calculations. The cubic phase of GST of interest for the memory devices was considered. From geometry optimization we found an equilibrium distance of about 3.0 Aa between Ti and Te, Ge and Sb atoms located directly above along the [001] direction. The interface formation energy of a large 1440-atom model is {gamma}{sub int} = 50 meV/Aa{sup 2}. The surface energy of TiN(001) and GST(001) are {gamma}{sub S} = 81 and 10 meV/Aa{sup 2} resulting in an adhesion energy of {gamma}{sub ad} = 41 meV/Aa{sup 2}. A good adhesion between the two materials can thus be achieved in the ideal epitaxial configuration. The presence of metal induced gap states (MIGS) is revealed by the analysis of Kohn-Sham (KS) orbitals. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Study of the magnetic properties of Tb(Cosub(1-x)Nisub(x))sub(5) compounds

    International Nuclear Information System (INIS)

    Pirogov, A.N.; Kelarev, V.V.; Ermolenko, A.S.; Chuev, V.V.; Sidorov, S.K.; Artamonova, A.M.

    1982-01-01

    The crystal and magnetic structures of Tb(Cosub(1-x)Nisub(x))sub(5) compounds are investigated by neutron-diffraction and magnetic techniques. It is shown that the Ni ions occupy predominantly the 2c positions and the Co ions 3g positions in the crystal unit of the CaCu 5 type of structure. The magnetic phase diagram is set up. From an analysis of the concentration dependence of the magnetizations of the 2c- and 3g-sublattices it is concluded that the magnetic moments at the Co ions are constant. The magnetic moment of the Ni ions in the compounds studied are found to depend on the concentration x. Estimations based on the assumption of constancy of the R-R and R-Co exchange interaction energies indicate that Co-Co interactions contribute significantly to the Curie temperature of compounds with a low Co content (x=0.8). It is found that the temperature dependence of the magnetization of the 2c-sublattice is related to the direction of the easy magnetization axis of the crystal, a consequence being a jump of the magnetization in the easy plane - easy axis transition. On this basis it is concluded that Co atoms in the 2c positions give the major contribution to the magnetic anisotropy of Co sublattice for compounds of the RCo 5 type

  8. Precision calculation of 1/4-BPS Wilson loops in AdS{sub 5}×S{sup 5}

    Energy Technology Data Exchange (ETDEWEB)

    Forini, V. [Institut für Physik, Humboldt-Universität zu Berlin, IRIS Adlershof, Zum Großen Windkanal 6, 12489 Berlin (Germany); Puletti, V. Giangreco M. [Science Institute, University of Iceland,Dunhaga 3, 107 Reykjavik (Iceland); Griguolo, L. [Dipartimento di Fisica e Scienze della Terra, Università di Parma andINFN Gruppo Collegato di Parma,Viale G.P. Usberti 7/A, 43100 Parma (Italy); Seminara, D. [Dipartimento di Fisica, Università di Firenze and INFN Sezione di Firenze,Via G. Sansone 1, 50019 Sesto Fiorentino (Italy); Vescovi, E. [Institut für Physik, Humboldt-Universität zu Berlin, IRIS Adlershof, Zum Großen Windkanal 6, 12489 Berlin (Germany)

    2016-02-16

    We study the strong coupling behaviour of 1/4-BPS circular Wilson loops (a family of “latitudes') in N=4 Super Yang-Mills theory, computing the one-loop corrections to the relevant classical string solutions in AdS{sub 5}×S{sup 5}. Supersymmetric localization provides an exact result that, in the large ’t Hooft coupling limit, should be reproduced by the sigma-model approach. To avoid ambiguities due to the absolute normalization of the string partition function, we compare the ratio between the generic latitude and the maximal 1/2-BPS circle: any measure-related ambiguity should simply cancel in this way. We use the Gel’fand-Yaglom method with Dirichlet boundary conditions to calculate the relevant functional determinants, that present some complications with respect to the standard circular case. After a careful numerical evaluation of our final expression we still find disagreement with the localization answer: the difference is encoded into a precise “remainder function'. We comment on the possible origin and resolution of this discordance.

  9. Structural transformations in Ge{sub 2}Sb{sub 2}Te{sub 5} under high pressure and temperature

    Energy Technology Data Exchange (ETDEWEB)

    Mio, A. M.; Privitera, S., E-mail: stefania.privitera@imm.cnr.it; D' Arrigo, G.; Rimini, E. [IMM-CNR, Istituto per la Microelettronica e Microsistemi, Consiglio Nazionale delle Ricerche, Strada VIII 5, Zona Industriale, I-95121 Catania (Italy); Ceppatelli, M. [ICCOM-CNR, Istituto di Chimica dei Composti OrganoMetallici, Via Madonna del Piano 10, I-50019 Sesto Fiorentino (Italy); LENS, European Laboratory for Non-Linear Spectroscopy, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); Gorelli, F.; Santoro, M. [LENS, European Laboratory for Non-Linear Spectroscopy, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); INO-CNR, Istituto Nazionale di Ottica, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); Miritello, M. [MATIS-IMM-CNR, via S. Sofia 64, I-95123 Catania (Italy); Bini, R. [LENS, European Laboratory for Non-Linear Spectroscopy, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); Università degli Studi di Firenze, Via della Lastruccia 3, I-50019 Sesto Fiorentino (Italy)

    2015-08-14

    The structural transformations occurring in Ge{sub 2}Sb{sub 2}Te{sub 5} films heated at temperature up to 400 °C, and under hydrostatic pressure up to 12 GPa, have been investigated through in-situ X ray diffraction measurements. The adopted experimental conditions are close to those experienced by the phase change material during the SET (crystallization)/RESET (amorphization) processes in a nonvolatile memory device. The compression enhances the thermal stability of the amorphous phase, which remains stable up to 180 °C at 8 GPa and to 230 °C at 12 GPa. The structure of the crystalline phases is also modified, with the formation of a CsCl-type structure instead of rock-salt and of a GeS-type structure at the temperature at which usually the trigonal stable phase is formed. Overall, the stability of the stable phase appears to be more affected by the compression. We argue that the presence of weak bonds associated to the van der Waals gaps is a determining factor for the observed reduced stability.

  10. Synthesis, surface properties and photocatalytic abilities of semiconductor In{sub 2}Cu{sub 2}O{sub 5} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jian; Wan, Yingpeng; Huang, Yanlin [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Wang, Yaorong, E-mail: yrwang@suda.edu.cn [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Qin, Lin [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2016-12-15

    Highlights: • In{sub 2}Cu{sub 2}O{sub 5} has high absorption in the UV-green and red wavelength region. • The nanoparticles present efficient photocatalytsis under visible light. • The photochemical properties were elucidated on its structure properties. - Abstract: In{sub 2}Cu{sub 2}O{sub 5} photocatalyst was prepared by the sol-gel method which produced worm-like nanoparticles. The X-ray powder diffraction (XRD) measurement and Rietveld structural refinement were applied to elucidate the phase formation and structural properties. The morphological properties of the surfaces were measured by scanning electron microscope (SEM), energy dispersive spectrum (EDS), and transmission electron microscopy (TEM). The nanoparticles present optical absorption from both the host lattices and the d–d transitions of distorted Cu{sup 2+} octahedra in UV–vis light wavelength region. The band-gap of In{sub 2}Cu{sub 2}O{sub 5} photocatalyst is about 2.31 eV. The photocatalytic abilities of In{sub 2}Cu{sub 2}O{sub 5} nanoparticles were verified by photo-degradation of methylene blue (MB) solutions irradiated by visible light. The energy potential and bad structure were discussed. In{sub 2}Cu{sub 2}O{sub 5} nanoparticles have the potential application for the efficient photocatalysis on MB dye solutions.

  11. Two crystal structures of Ag sup + -and Tl sup + -exchanged zeolite X, Ag sub 2 sub 7 Tl sub 6 sub 5 -X and Ag sub 2 sub 3 Tl sub 6 sub 9 -X

    CERN Document Server

    Kim, S Y; Kim, Y

    2002-01-01

    Two crystal structures of dehydrated Ag sup + -and Tl sup + -exchanged zeolite X (Ag sub 2 sub 7 Tl sub 6 sub 5 -X and Ag sub 2 sub 3 Tl sub 6 sub 9 -X) have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1) .deg. C (a = 24.758(4) A, a = 24.947(4) A, respectively). Their structures were refined to the final error indices R sub 1 = 0.055 and wR sub 2 = 0.057 with 375 reflections, and R sub 1 = 0.058 and wR sub 2 = 0.057 with 235 reflections, respectively, for which I> 3 sigma(I). In the structure of Ag sub 2 sub 7 Tl sub 6 sub 5 -X, 27 Ag sup + ions were found at two crystallographic sites: 15 Ag sup + ions at site I at the center of the hexagonal prism and the remaining 12 Ag sup + ions at site II' in the sodalite cavity. Sixty-five Tl sup + ions were located at three crystallographic sites: 20 Tl sup + ions at site II opposite single six-rings in the supercage, 18 Tl sup + ions at site I' in the sodalite cavity opposite the D6Rs, and the remaining 27 Tl sup ...

  12. Bright green phosphor, Y/sub 3/Al/sub 5-x/Ga/sub x/O/sub 12/:Tb, for projection CRT

    International Nuclear Information System (INIS)

    Ohno, K.; Abe, T.

    1987-01-01

    A remarkably improved high brightness phosphor, Y/sub 3/Al/sub 5-x/Ga/sub x/O/sub 12/:Tb (x = 0 -- 5) was developed and has been adopted for the projection CRT. The replacement of a portion of Al with Ga in YAG improved the brightness and the saturation characteristics. While the brightness of Y/sub 3/Al/sub 3/Ga/sub 2/O/sub 12/:Tb is almost the same as that of Y/sub 3/Al/sub 5/O/sub 12/:Tb at low cathode current densities, the former becomes about two times greater than the latter at high cathode current densities. The brightness of the Y/sub 3/Al/sub 5-x/Ga/sub x/O/sub 12/:Tb phosphor and its saturation characteristics are presented and compared with other green phosphors which have been used for the projection CRT

  13. High-pressure studies of a ThMn sub 1 sub 2 -type actinide compound: UFe sub 5 Al sub 7

    CERN Document Server

    Halevy, I; Kimmel, G; Atzmony, U; Pereira, L C J; Goncalves, A P; Schäfer, W

    2002-01-01

    The ternary inter-metallic compound, UFe sub 5 Al sub 7 , crystallize in a tetragonal ThMn sub 1 sub 2 type structure. In the as-cast samples a residual phase of FeAl (approx 2% wt) was identified in the grain boundaries. The amount of the residual cubic phase of FeAl was determined by Rietveld analysis and reduced by the annealing process. UFe sub 5 Al sub 7 maintains the tetragonal symmetry as a function of pressure, while FeAl keeps the cubic structure as was determined by the Rietveld analysis. The volume-pressure curve calculated from the x-ray analysis is V/V sub 0 = 0.87 for UFe sub 5 Al sub 7 at 26.0 GPa.

  14. Evidence of the semiconductor-metal transition in V{sub 2}O{sub 5} thin films by the pulsed laser photoacoustic method

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Pacheco, A.; Acosta-Najarro, D. R.; Cruz-Manjarrez, H.; Rodriguez-Fernandez, L.; Pineda-Santamaria, J. C; Aguilar-Franco, M. [Instituto de Fisica-Universidad Nacional Autonoma de Mexico, Mexico DF (Mexico); Castaneda-Guzman, R. [Laboratorio de Fotofisica y Peliculas Delgadas, CCADET-UNAM, Mexico DF (Mexico)

    2013-05-14

    In this work, the pulsed photoacoustic technique was used to investigate the semiconductor-metal transition of thin vanadium pentoxide films (V{sub 2}O{sub 5}) under increasing temperature. The V{sub 2}O{sub 5} thin films were simultaneously deposited by RF magnetron sputtering at room temperature, on corning glass and SnO{sub 2}:F/glass substrates, in order to compare the photoacoustic response. The elemental and structural analysis of the V{sub 2}O{sub 5} films was performed by Rutherford backscattering spectroscopy and X-ray diffraction. The optical transmission and band gap were determined using UV-Vis spectroscopy. The electrical properties were measured using four-point probe measurements with the Van der Pauw geometry.

  15. Anatase-TiO{sub 2} nanocoating of Li{sub 4}Ti{sub 5}O{sub 12} nanorod anode for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Ming-ming, E-mail: chmm@tju.edu.cn; Sun, Xin; Qiao, Zhi-jun; Ma, Qian-qian; Wang, Cheng-yang

    2014-07-15

    Highlights: • TiO{sub 2}-coated LTO was in-situ prepared via a microemulsion-assisted hydrothermal route. • Anatase-TiO{sub 2} coating layer enhances the electrochemical performance of Li{sub 4}Ti{sub 5}O{sub 12}. • The as-prepared sample presents high-rate capability and cyclic stability. - Abstract: Li{sub 4}Ti{sub 5}O{sub 12} nanorod coated by anatase-TiO{sub 2} is in situ synthesized via a microemulsion-assisted hydrothermal method followed by heat treatment at 550 °C in air. Compared with pure Li{sub 4}Ti{sub 5}O{sub 12}, Li{sub 4}Ti{sub 5}O{sub 12} nanorod coated by anatase-TiO{sub 2} presents much improved electrochemical characteristics in terms of high specific capacity, excellent rate capability and cyclic stability (96.0% of initial capacity at a current density of 1.75 A g{sup −1} up to 100 cycles). Acting as a perfect nanocoating layer, anatase-TiO{sub 2} contributes some capacity and gives an enhanced performance to the Li{sub 4}Ti{sub 5}O{sub 12} electrode. All the results suggest that Li{sub 4}Ti{sub 5}O{sub 12} nanorod coated by anatase-TiO{sub 2} could be suitable for use as a high-rate anode material for lithium-ion batteries.

  16. Quasi-one-dimensional nanostructured cobalt (Co) intercalated vanadium oxide (V{sub 2}O{sub 5}): Peroxovanadate sol gel synthesis and structural study

    Energy Technology Data Exchange (ETDEWEB)

    Langie da Silva, Douglas, E-mail: douglas.langie@ufpel.edu.br [Departamento de Física, Universidade Federal de Pelotas, Caixa Postal 354, Pelotas 96010-900 (Brazil); Moreira, Eduardo Ceretta [Laboratório de Espectroscopia, Universidade Federal do Pampa, Campus Bagé, Bagé 96400-970 (Brazil); Dias, Fábio Teixeira; Neves Vieira, Valdemar das [Departamento de Física, Universidade Federal de Pelotas, Caixa Postal 354, Pelotas 96010-900 (Brazil); Brandt, Iuri Stefani; Cas Viegas, Alexandre da; Pasa, André Avelino [Laboratório de Filmes Finos e Superfícies, Universidade Federal de Santa Catarina, Caixa Postal 476, Florianópolis 88.040-900 (Brazil)

    2015-01-15

    Nanostructured cobalt vanadium oxide (V{sub 2}O{sub 5}) xerogels spread onto crystalline Si substrates were synthesized via peroxovanadate sol gel route. The resulting products were characterized by distinct experimental techniques. The surface morphology and the nanostructure of xerogels correlate with Co concentration. The decrease of the structural coherence length is followed by the formation of a loose network of nanopores when the concentration of intercalated species was greater than 4 at% of Co. The efficiency of the synthesis route also drops with the increase of Co concentration. The interaction between the Co(OH{sub 2}){sub 6}{sup 2+} cations and the (H{sub 2}V{sub 10}O{sub 28}){sup 4−} anions during the synthesis was suggested as a possible explanation for the incomplete condensation of the V{sub 2}O{sub 5} gel. Finally the experimental results points for the intercalation of Co between the bilayers of the V{sub 2}O{sub 5}. In this scenario two possible preferential occupation sites for the metallic atoms in the framework of the xerogel were proposed. - Graphical abstract: Quasi-one-dimensional nanostructured cobalt (Co) intercalated vanadium oxide (V{sub 2}O{sub 5}) nanoribbons synthesized by peroxovanadate sol gel route. - Highlights: • Nanostructured cobalt V{sub 2}O{sub 5} gel spread onto c{sub S}i were synthesized via peroxovanadate sol gel route. • The micro and nanostructure correlates with the cobalt content. • The efficiency of the synthesis route shows to be also dependent of Co content. • The experimental results points for the intercalation of Co between the bilayers of the V{sub 2}O{sub 5} xerogel.

  17. Chrystal structure properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} synthesized by solid state reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Sandi, Dianisa Khoirum, E-mail: dianisa875@gmail.com; Suryana, Risa, E-mail: rsuryana@staff.uns.ac.id [Department of Physics, Faculty of Mathematics and Natural Sciences, Sebelas Maret University (Indonesia); Priyono, Slamet, E-mail: slam013@lipi.go.id [Physics Research Center (P2F)-LIPI, Puspiptek Area, Serpong, Tangerang (Indonesia)

    2016-02-08

    This research aim is to analyze the effect of Aluminum (Al) doping in the structural properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} as anode in lithium ion battery. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. LiOH.H{sub 2}O, TiO{sub 2}, and Al{sub 2}O{sub 3} were raw materials. These materials were milled for 15 h, calcined at temperature of 750{sup o}C and sintered at temperature of 800{sup o}C. Mole percentage of doping Al (x) was varied at x=0; x=0.025; and x =0.05. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. X-ray diffraction was employed to determine the structure of Li{sub 4}Ti{sub 5}O{sub 12}. The PDXL software was performed on the x-ray diffraction data to estimate the phase percentage, the lattice parameter, the unit cell volume, and the crystal density. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} has cubic crystal structure. Al-doping at x=0 and x=0.025 does not change the phase as Li{sub 4}Ti{sub 5}O{sub 12} while at x=0.050 the phase changes to the LiTiAlO{sub 4}. The diffraction patterns show that the angle shifted to the right as the increase of x which indicated that Al substitute Ti site. Percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase at x=0 and x=0.025 was 97.8% and 96.8%, respectively. However, the lattice parameters, the unit cell volume, and the crystal density does not change significantly at x=0; x=0.025; and x=0.050. Based on the percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase, the Al-doped Li at x=0 and x=0.025 is promising as a lithium battery anode.

  18. First hydrothermal synthesis of Bi{sub 5}O{sub 7}Br and its photocatalytic properties for molecular oxygen activation and RhB degradation

    Energy Technology Data Exchange (ETDEWEB)

    Su, Yurong; Ding, Chenghua; Dang, Yuanlin [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Wang, Hui [CAS Key Laboratory of Nuclear Radiation and Nuclear Energy Techniques, and Multidisciplinary Initiative Center, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Ye, Liqun, E-mail: yeliquny@163.com [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Jin, Xiaoli [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Xie, Haiquan, E-mail: Xie-hq@163.com [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Liu, Chao [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China)

    2015-08-15

    Graphical abstract: Bi{sub 5}O{sub 7}Br was firstly synthesized by via hydromel method and showed good photocatalytic properties for molecular oxygen activation and RhB degradation. - Highlights: • Bi{sub 5}O{sub 7}Br, a new Bi{sub x}O{sub y}X{sub z} semiconductor photocatalyst was firstly synthesized by via hydromel method. • As-synthesized Bi{sub 5}O{sub 7}Br can effectively activate molecular oxygen under UV–vis light irradiation. • The appearance of Bi{sub 5}O{sub 7}Br photocatalysis enriched the Bi-O-X photocatalysts. - Abstract: Comparing with BiOX (X = Cl, Br, I), Bi{sub x}O{sub y}X{sub z} as the newest bismuth-based photocatalysts have more appropriate conduction band position. And so, they can be used to active molecular oxygen. In this paper, Bi{sub 5}O{sub 7}Br, a new Bi{sub x}O{sub y}X{sub z} semiconductor photocatalyst was firstly synthesized by via hydromel method. It was characterized by X-ray diffraction (XRD), UV–visible diffused reflectance spectra (DRS), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM) and the corresponding selected-area electron diffraction (SAED) pattern. It can be found that the crystal structure and morphology are same with Bi{sub 5}O{sub 7}I. The size of a single rod is about 2 μm in width and 50 μm in length. As-synthesized Bi{sub 5}O{sub 7}Br can effectively activate molecular oxygen to generate superoxide radical (O{sub 2}{sup •} {sup −}) and hydroxyl radical (• OH) under UV–vis light irradiation. And it also showed high photocatalytic activity than BiOBr for the degradation of dyes. Thus, it can be seen, the appearance of Bi{sub 5}O{sub 7}Br photocatalysis enriched the bismuth-rich strategy of Bi-O-X photocatalysts.

  19. Combined experimental and theoretical assessments of the lattice dynamics and optoelectronics of TaON and Ta{sub 3}N{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Nurlaela, Ela; Harb, Moussab [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia); Gobbo, Silvano del [Solar and Photovoltaic Engineering Center, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Vashishta, Manish [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia); Takanabe, Kazuhiro, E-mail: kazuhiro.takanabe@kaust.edu.sa [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia)

    2015-09-15

    Presented herein is a detailed discussion of the properties of the lattice dynamic and optoelectronic properties of tantalum(V) oxynitride (TaON) and tantalum(V) nitride (Ta{sub 3}N{sub 5}), from experimental and theoretical standpoint. The active Raman and infra red (IR) frequencies of TaON and Ta{sub 3}N{sub 5} were measured using confocal Raman and Fourier Transform Infrared spectroscopies (FTIR) and calculated using the linear response method within the density functional perturbation theory (DFPT). The detailed study leads to an exhaustive description of the spectra, including the symmetry of the vibrational modes. Electronic structures of these materials were computed using DFT within the range-separated hybrid HSE06 exchange–correlation formalism. Electronic and ionic contributions to the dielectric constant tensors of these materials were obtained from DFPT within the linear response method using the PBE functional. Furthermore, effective mass of photogenerated holes and electrons at the band edges of these compounds were computed from the electronic band structure obtained at the DFT/HSE06 level of theory. The results suggest that anisotropic nature in TaON and Ta{sub 3}N{sub 5} is present in terms of dielectric constant and effective masses. - Graphical abstract: Detailed investigation has been conducted from combined experimental and theoretical approaches on Raman and IR spectroscopies, electronic structures, dielectric constants and effective masses of TaON and Ta{sub 3}N{sub 5}. - Highlights: • Crystal structures of TaON and Ta{sub 3}N{sub 5} are discussed based on XRD and DFT calculation. • Raman and IR spectra of TaON and Ta{sub 3}N{sub 5} materials are measured and computed by DFPT method. • Optoelectronic properties of TaON and Ta{sub 3}N{sub 5} are discussed. • Dielectric constant and effective masses of TaON and Ta{sub 3}N{sub 5} are calculated.

  20. Optically stimulated luminescence of Tb{sup 3+}/Sm{sup 3+} doubly doped K{sub 2}YF{sub 5} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Camargo, L.; Marcazzo, J.; Santiago, M.; Caselli, E. [Universidad Nacional del Centro de la Provincia de Buenos Aires, Instituto de Fisica Arroyo Seco, Gral. Pinto 399, B7000GHG, Tandil (Argentina); Khaidukov, N. M., E-mail: jmarcass@exa.unicen.edu.ar [Kurnakov Institute of General and Inorganic Chemistry, RAS, Leninskii Prospekt 31, 119991 Moscow (Russian Federation)

    2014-08-15

    In this work optically stimulated luminescence (OSL) properties of K{sub 2}YF{sub 5} crystals doubly doped with Tb{sup 3+} and Sm{sup 3+} ions have been investigated for the first time. OSL responses for different dopant concentration and for optical stimulation with different wavelengths have been analyzed for each compound. Dosimetric properties of the most efficient composition, namely, K{sub 2}YF{sub 5}:1.0 at.% Tb{sup 3+}; 1.0 at.% Sm{sup 3+}, have been studied. Finally, the possible application of this single crystal as OSL dosimeter has been evaluated. (Author)

  1. Study of magnetic hardening in Sm(Co/sub 1-x/Cu/sub x/)/sub 5/ alloy

    International Nuclear Information System (INIS)

    Awan, M.S.; Bhatti, A.S.; Farooque, M.

    2008-01-01

    Magnetic hardening has been examined in the samarium (Sm), cobalt (Co) and copper (Cu) fused permanent magnets by correlating the magnetic properties with annealing temperature and microstructure of the samples. For the Sm(Co/sub 1-x/Cu/sub x/)/sub 5/ system, with various copper contents (x=0, 0.2, 0.3, 0.4 and 0.5) the shape of initial magnetization curve indicated that the magnetic hardening process involved in these types of magnets consists of domain wall pinning type. This is consistent with the microstructure studies which show the existence of nonmagnetic Cu-rich precipitates in the Co-rich matrix. Copper substituted samples were annealed in the temperature range (300 -1000) degree C for 3h under the protective atmosphere of argon (Ar) gas. Both cast and annealed samples prepared by tri-arc melting technique exhibit two-phase microstructure responsible for enhanced magnetic properties. Metallographic and surface studies were carried out using a digital optical microscope (OM). X-ray diffraction (XRD) studies confirmed that the alloys solidefied in the hexagonal crystal structure. The lattice parameters and unit cell volume increase with increasing Cu content. Scanning electron microscope (SEM) coupled with energy dispersive X-ray (EDX) was used to examine the surface morphology, compositional variations, elemental segregations, formation and effect of annealing on the different phases. Later these parameters were related to the magnetic properties. Copper-rich phase precipitates in the Co- rich matrix may serves as the pinning centers for the domain wall motion. Introduction of these pinning centers improved the magnetic hardening of the alloy. Annealing the Cu-substituted alloy further improved the magnetic properties. During annealing, diffusion of copper played the key role for enhanced magnetic properties. It was found that both Cu substitution and subsequent annealing are the dominating factors determining the magnetic properties of these magnetic

  2. Effects of additions on AB{sub 5}-type hydrogen storage alloy in MH-Ni battery application

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiangdong; Feng, Hongwei; Tian, Xiao; Chi, Bo; Yan, Shufang [School of Material Science and Engineering, Inner Mongolia University of Technology, Hohhot 010051 (China); Xu, Jin [Zhanjiang University of Radio and Television, Zhanjiang 524003 (China)

    2009-09-15

    The AB{sub 5}-type hydrogen storage alloy of Mm{sub 0.3}Ml{sub 0.7}Ni{sub 3.55}Co{sub 0.75}Mn{sub 0.4}Al{sub 0.3} were synthesized and mixed with PVA (Polyvinyl Alcohol) or different percentage Ni powder as the test samples. The cycle stabilities of the composites were tested in 6 M KOH electrolyte through electrochemical method. The results indicated that all the samples with Ni powder have better cycle stabilities and flatter discharge voltage platform. The sample of Mm{sub 0.3}Ml{sub 0.7}Ni{sub 3.55}Co{sub 0.7}5Mn{sub 0.4}Al{sub 0.3} + 200 wt.% Ni has the highest capacity conservation rate of 80.5% and the longest discharge time of 5.2 h. The SEM images show that the particle diameters of the alloy decreased by 2 {mu}m and the surface smoothed without sharp edges after adding Ni powder. It can be presumed that adding Ni can improve the cycle stability of the alloy of Mm{sub 0.3}Ml{sub 0.7}Ni{sub 3.55}Co{sub 0.7}5Mn{sub 0.4}Al{sub 0.3} in the alkaline electrolyte and enhance the reaction rate in the charge/discharge cycles. (author)

  3. Development of Tb{sup 3+} activated gadolinium aluminate garnet (Gd{sub 3}Al{sub 5}O{sub 12}) as highly efficient green-emitting phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Teng, Xin; Li, Jinkai, E-mail: mse_lijk@ujn.edu.cn; Duan, Guangbin; Liu, Zongming, E-mail: ost_liuzm@ujn.edu.cn

    2016-11-15

    The powder processing of (Gd{sub 1-x}Tb{sub x}){sub 3}Al{sub 5}O{sub 12} (GdAG:Tb{sup 3+}) solid solutions was achieved through precursor synthesized via carbonate precipitation, followed by calcination at 1500 °C. The performance of the GdAG:Tb{sup 3+} phosphors were characterized by the combined techniques of XRD, FE-SEM, HR-TEM, PLE/PL, and fluorescence decay analyses. Lower Tb{sup 3+} doping can stabilize the crystal structure of GdAG garnet against its thermal decomposition. The GdAG:Tb{sup 3+} phosphors with good dispersion and fairly uniform particle morphology exhibit a series of {sup 5}D{sub 4}–{sup 7}F{sub J} transitions of Tb{sup 3+} with strongest green emission at ~544 nm ({sup 5}D{sub 4}–{sup 7}F{sub 5} transitions of Tb{sup 3+}) under UV excitation at ~277 nm (4f{sup 8}−4f{sup 7}5d{sup 1} transition of Tb{sup 3+}). The later is overlapping with {sup 8}S{sub 7/2}–{sup 6}I{sub J} intra f–f transition of Gd{sup 3+} indirectly suggesting the existence of energy transfer from Gd{sup 3+} to Tb{sup 3+}. With the Gd{sup 3+}–Tb{sup 3+} energy transfer, higher Tb{sup 3+} emission and quantum efficiency than the well-known YAG:Tb{sup 3+} and LuAG:Tb{sup 3+} were obtained in the present work. The effects of Tb{sup 3+} content on luminescent property of the phosphor, especially PLE/PL properties, fluorescence lifetime and quantum efficient, were thoroughly investigated, which were also compared to those of Tb{sup 3+}-activated YAG and LuAG compounds. The CIE chromaticity coordinates and quenching concentration of GdAG:Tb{sup 3+} were determined to be (~0.37, ~0.56) and ~10 at%, respectively. Keeping the optimum Tb{sup 3+} content at ~10 at%, the (Gd{sub 0.9}Tb{sub 0.1})AG phosphor possesses high internal and external quantum efficiencies of ~88.7% and ~73.6% under ~277 nm excitation, respectively. Owing to its improved luminescent property and high theoretical density, the phosphors of (Gd{sub 1-x}Tb{sub x})AG garnet developed in the present work are

  4. Scintillation properties of transparent Lu{sub 3}Al{sub 5}O{sub 12} (LuAG) ceramics doped with different concentrations of Pr{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Yanagida, Takayuki; Fukabori, Akihiro; Fujimoto, Yutaka; Kamada, Kei; Yokota, Yuui; Yoshikawa, Akira; Chani, Valery [IMRAM, Tohoku University, 2-1-1 Katahira Aoba-ku, 980-8577 Sendai (Japan); Ikesue, Akio [World Labo, Co. Ltd., Mutsuno 2-4-1, Atsuta, 456-0023 Nagoya (Japan); Kataoka, Jun [School of Advanced Science and Engineering,Waseda University, Ohkubo 3-4-1, Shinjuku, 169-0072 Tokyo (Japan)

    2011-01-15

    Transparent ceramics of Pr-doped (0.2 mol%, 0.6 mol%, 1 mol%, and 2 mol%) Lu{sub 3}Al{sub 5}O{sub 12} (LuAG) scintillators produced by the sintering method are discussed. These materials were cut to the specimens with physical dimensions of 5 x 5 x 2 mm{sup 3}. Similar size specimens were also prepared from Czochralski grown Pr:LuAG single crystals to compare scintillation properties. Their transmittance and radio luminescence spectra were evaluated. All specimens were highly transparent in wavelength range above 300 nm, and intense Pr{sup 3+} 5d-4f emission was detected around 310 and 370 nm under excitation with X-ray. Under {sup 137}Cs {gamma}-ray is irradiation, 2 keV photo-absorption peaks were also clearly observed in each sample. The Pr 0.6 mol% doped LuAG ceramics demonstrated highest light yield achievable among the ceramics, and it was half of that observed in the single crystals. Under pulse X-ray excitation, the decay time constants became faster when Pr concentration increased, and. the fastest decay ({proportional_to}5.7 ns time constant) was noticed in the 2 mol% doped ceramic. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Effects of Fe{sub 2}O{sub 3} content on ionic conductivity of Li{sub 2}O-TiO{sub 2}-P{sub 2}O{sub 5} glasses and glass-ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Mohaghegh, E., E-mail: elnaz.mohaghegh@gmail.com [Department of Materials Science and Engineering, Sharif University of Technology, Tehran, 11155-9466 (Iran, Islamic Republic of); Nemati, A. [Department of Materials Science and Engineering, Sharif University of Technology, Tehran, 11155-9466 (Iran, Islamic Republic of); Eftekhari Yekta, B. [Ceramic Division, School of Metallurgy and Materials Engineering, Iran University of Science and Technology, Tehran, 16846-13114 (Iran, Islamic Republic of); Banijamali, S. [Ceramic Division, Materials & Energy Research Center, Alborz, 31787-316 (Iran, Islamic Republic of)

    2017-04-01

    In this study, Li{sub 2}O-TiO{sub 2}-P{sub 2}O{sub 5}-x(Fe{sub 2}O{sub 3}) (x = 0, 2.5, 5 and 7.5 weight part) glass and glass-ceramics were synthesized through conventional melt-quenching method and subsequently heat treatment. Glass samples were studied by UV–visible spectroscopy and crystallized samples were characterized by differential thermal analysis, X-ray diffractometry and field emission scanning electron microscopy. Besides, electrical properties were examined according to the electrochemical impedance spectroscopy techniques. Experimental optical spectra of the Fe{sub 2}O{sub 3}-doped glasses revealed strong UV absorption band in the range of 330–370 nm, which were attributed to the presence of Fe{sup 3+} ions. The major crystalline phase of the fabricated glass-ceramics was LiTi{sub 2}(PO{sub 4}){sub 3}. However, Li{sub 3}PO{sub 4} was also identified as the minor one. Considering the impedance spectroscopy studies, ionic conductivity of Fe{sub 2}O{sub 3} containing glasses was higher than that of the base glass. Additionally, the maximum bulk ionic conductivity of 1.38 × 10{sup −3} S/cm was achieved as well as activation energy as low as 0.26 eV at room temperature for x = 5. - Highlights: • Bulk and total ionic conductivity was extracted by using impedance spectroscopy. • Ionic conductivity of the studied glasses and glass-ceramics increased with increasing Fe{sub 2}O{sub 3} content. • The highest bulk ionic conductivity at room temperature was found to be 1.38 × 10{sup −3} S/cm for GC{sub 5}.

  6. Formation of methane versus benzene in the reactions of (C{sub 5}Me{sub 5}){sub 2}Th(CH{sub 3}){sub 2} with [CH{sub 3}PPh{sub 3}]X (X=Cl, Br, I) yielding thorium-carbene or thorium-ylide complexes

    Energy Technology Data Exchange (ETDEWEB)

    Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Barnes, Charles L.; Walensky, Justin R. [Department of Chemistry, University of Missouri, Columbia, MO (United States); Bathelier, Adrien; Castro, Ludovic; Maron, Laurent [Toulouse Univ. and CNRS, INSA, UPS, CNRS, UMR, UMR 5215, LPCNO (France)

    2017-10-09

    The reaction of (C{sub 5}Me{sub 5}){sub 2}Th(CH{sub 3}){sub 2} with the phosphonium salts [CH{sub 3}PPh{sub 3}]X (X=Cl, Br, I) was investigated. When X=Br and I, two equivalents of methane are liberated to afford (C{sub 5}Me{sub 5}){sub 2}Th[CHPPh{sub 3}]X, rare terminal phosphorano-stabilized carbenes with thorium. These complexes feature the shortest thorium-carbon bonds (∼2.30 Aa) reported to date, and electronic structure calculations show some degree of multiple bonding. However, when X=Cl, only one equivalent of methane is lost with concomitant formation of benzene from an unstable phosphorus(V) intermediate, yielding (C{sub 5}Me{sub 5}){sub 2}Th[κ{sup 2}-(C,C{sup '})-(CH{sub 2})(CH{sub 2})PPh{sub 2}]Cl. Density functional theory (DFT) investigations of the reaction energy profiles for [CH{sub 3}PPh{sub 3}]X, X=Cl and I showed that in the case of iodide, thermodynamics prevents the production of benzene and favors formation of the carbene. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Judd-Ofelt analysis of spectroscopic properties of Sm{sup 3+} ions in K{sub 2}YF{sub 5} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Do, Phan Van [Water Resources University, Hanoi (Viet Nam); Tuyen, Vu Phi; Quang, Vu Xuan; Thanh, Nguyen Trong; Ha, Vu Thi Thai [Institute of Materials Science, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Khaidukov, Nicholas M. [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation); Lee, Yong-Ill [Department of Chemistry, Changwon National University, Changwon 641 773 (Korea, Republic of); Huy, B.T., E-mail: buithehuy.nt@gmail.com [Department of Chemistry, Changwon National University, Changwon 641 773 (Korea, Republic of)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Detailed picture of the spectral characteristics of Sm{sup 3+} ions in K{sub 2}YF{sub 5} crystal. Black-Right-Pointing-Pointer The bonding of Sm{sup 3+} ions with the local host is ionic bonding. Black-Right-Pointing-Pointer The coordination structure surrounding the RE ion has high symmetry. - Abstract: K{sub 2}YF{sub 5} crystals doped Sm{sup 3+} ions were synthesized under hydrothermal condition. The absorption, luminescence spectra, and lifetimes of K{sub 2}YF{sub 5}:Sm{sup 3+} were measured at room temperature. The results were analyzed using Judd-Ofelt (JO) theory giving the values of three {Omega}{sub 2}, {Omega}{sub 4}, and {Omega}{sub 6} intensity parameters. Using these JO parameters as well as from the emission, various radiative parameters such as transition probabilities (A{sub R}), radiative lifetime ({iota}{sub R}), calculated branching ratios ({beta}{sub R}), measured branching ratios ({beta}{sub mes}), and stimulated emission cross-sections ({sigma}{sub {lambda}p}) have been calculated for {sup 4}G{sub 5/2} excited level.

  8. Vanadium oxides (V{sub 2}O{sub 5}) prepared with different methods for application as counter electrodes in dye-sensitized solar cells (DSCs)

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Kezhong; Sun, Xiaolong; Duan, Chongyuan; Gao, Jing; Wu, Mingxing [Hebei Normal University, College of Chemistry and Material Science, Key Laboratory of Inorganic Nano-materials of Hebei Province, Shijiazhuang City, Hebei Province (China)

    2016-09-15

    V{sub 2}O{sub 5} was synthesized by four different procedures employing thermal decomposition, sol-gel, and hydrothermal methods which were subsequently introduced into dye-sensitized solar cells (DSCs) as counter electrode (CE) catalysts for the regeneration of traditional iodide/triiodide (I{sup -}/I{sub 3} {sup -}) redox couple. The catalytic activities of as-prepared V{sub 2}O{sub 5} were significantly affected by the synthetic routes as evidenced by cyclic voltammetry, electrochemical impedance spectroscopy, and Tafel polarization curve. Power conversion efficiency (PCE) of the DSCs employing V{sub 2}O{sub 5} CE, fabricated by thermal decomposition method, was observed to be 3.80 % by using citric acid as an additive, while the PCE of the DSCs using V{sub 2}O{sub 5} CE prepared by hydrothermal and thermal decomposition methods without additive, as well as by a sol-gel procedure, was determined to be 2.13, 2.08, and 2.04 %, respectively. (orig.)

  9. Nanocrystalline sol-gel Nb{sub 2}O{sub 5} coatings. Preparation, characterisation and application to photovoltaic cell, lithium battery and eletrochromic device

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yeping

    2002-07-01

    Thick and thin films of Nb{sub 2}O{sub 5} have been prepared by the sol-gel process using cheap niobium pentachloride as precursor and a new synthesis route. The microstructure of the films was tailored by adding poly(ethylene glycol) (PEG) and carbon soot into the sol and varying the sintering temperature. The thesis describes the properties of the sols and their influence on the properties of the resulting nanocrystalline Nb{sub 2}O{sub 5} films as electrodes in dye sensitised solar cells, electrochromic devices and rechargeable lithium batteries. A solar light-to-electric conversion efficiency of Ru(II) sensitised Nb{sub 2}O{sub 5} solar cell as high as 7% under 120 W/m{sup 2} illumination was obtained. An equivalent electric circuit of the dye sensitised electrode/electrolyte interface based on the electrochemical impedance spectroscopy was modelled and found to fit all the results. The values obtained for the electric elements from the simulation of the results were found to relate material parameters to the cell performance and their influence on the cell performance are illustrated. The electrochromism and Li{sup +}-charge and discharge of the Nb{sub 2}O{sub 5} films exhibited also good performance. (orig.)

  10. Energy transfer phenomena and Judd-Ofelt analysis on Sm{sup 3+} ions in K{sub 2}GdF{sub 5} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Do, Phan Van [Thuyloi University, 175 Tay Son, Dong da Dist, Hanoi (Viet Nam); Tuyen, Vu Phi, E-mail: vptuyen@gust-edu.vast.vn [Graduate University of Science and Technology - VAST, 18 Hoang quoc Viet, Hanoi (Viet Nam); DuyTan University, K7/25 QuangTrung, Danang (Viet Nam); Quang, Vu Xuan [DuyTan University, K7/25 QuangTrung, Danang (Viet Nam); Khaidukov, Nicholas M. [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation); TrongThanh, Nguyen [Institute of Materials Science - VAST, 18 Hoang quoc Viet, Hanoi (Viet Nam); Sengthong, Bounyavong [DuyTan University, K7/25 QuangTrung, Danang (Viet Nam); Huy, Bui The, E-mail: buithehuy.nt@gmail.com [Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of)

    2016-11-15

    The Raman, absorption, luminescence spectra and lifetimes curves of Sm{sup 3+}-doped K{sub 2}GdF{sub 5}were measured. Based on the Judd-Ofelt analysis, the values of radiative transition probabilities, branching ratios, integrated emission cross-sections and radiative lifetimes of excited states of Sm{sup 3+} in K{sub 2}GdF{sub 5} crystal were calculated. The migration of excitation energy between the Gd{sup 3+} ions and the trapping processes of Gd{sup 3+} excitation energy by Sm{sup 3+} and Tb{sup 3+}ions in K{sub 2}GdF{sub 5} crystal are reported. The role of the overlapping between the broad, allowed absorption bands of the RE{sup 3+} ions and the narrow absorption lines {sup 6}I{sub J} and {sup 6}P{sub J} of Gd{sup 3+} ions on the trapping rates of the RE{sup 3+} was discussed. The energy transfer between the Sm{sup 3+} ions was studied by the decay measurement, which has been fitted by Inokuti-Hirayama energy transfer model and revealed that electric dipole–quadrupole interaction is responsible for the energy transfer process in Sm{sup 3+} ions doped K{sub 2}GdF{sub 5} crystal.

  11. Luminescence and energy transfer of Ce{sup 3+} and Pr{sup 3+} in LaBSiO{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Lei; Zhou, Weijie; Shi, Rui; Liu, Chunmeng [MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, KLGHEI of Environment and Energy Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China); Huang, Yan; Tao, Ye [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039 (China); Liang, Hongbin, E-mail: cesbin@mail.sysu.edu.cn [MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, KLGHEI of Environment and Energy Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China)

    2016-09-15

    Ce{sup 3+}, Pr{sup 3+} singly doped and Ce{sup 3+}–Pr{sup 3+} doubly doped LaBSiO{sub 5} phosphors were prepared by a high-temperature solid state reaction route. The synchrotron radiation VUV–UV excitation spectra of Ce{sup 3+} and Pr{sup 3+} were measured and the luminescence properties were discussed. The band gap of host compound LaBSiO{sub 5} was estimated from the VUV excitation spectrum of sample activated with Gd{sup 3+}. Furthermore, the influence of temperature on luminescence of Ce{sup 3+} was discussed and the activation energy for thermal quenching was evaluated. The occurrence of energy transfer from excited 5d states of Pr{sup 3+} to Ce{sup 3+} was confirmed by the emission spectra of co-doped samples La{sub 0.99−x}Pr{sub x}Ce{sub 0.01}BSiO{sub 5} and La{sub 0.995−x}Pr{sub 0.005}Ce{sub x}BSiO{sub 5} with different x values.

  12. Quantitative study of the f-occupation in CeMIn{sub 5} and other cerium compounds with hard X-ray core level photo emission

    Energy Technology Data Exchange (ETDEWEB)

    Sundermann, Martin; Strigari, Fabio; Willers, Thomas; Severing, Andrea [University of Cologne, Cologne (Germany); Weinen, Jonas; Tjeng, Liu Hao [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Liao, Yen-Fa; Tsuei, Ku-Ding [National Synchrotron Radiation Research Center, Hsinchu (China); Bauer, Eric D.; Sarrao, John L.; Thompson, Joe D. [Los Alamos National Laboratory, Los Alamos (United States); Lejay, Pascal [Institut NEEL, CNRS, Grenoble (France); Tanaka, Arata [Hiroshima University, Higashi-Hiroshima (Japan)

    2016-07-01

    Bulk-sensitive hard X-ray photoelectron spectroscopy (HAXPES) data of the Ce3d core levels of the CeMIn{sub 5} family with M = Co, Rh, and Ir will be presented. The data analysis combines a full multiplet and configuration interaction model so that the strong plasmons intensities can be corrected for. This way spectral f{sup n} weights can be extracted and the configuration interaction model yields quantitative values for the initial state f-occupation of the CeMIn{sub 5}. The results are compared with HAXPES data of other heavy Ce compounds of very different hybridization strength. A systematic decrease of the hybridization strength V{sub eff} from CePd{sub 3} to CeRh{sub 3}B{sub 2} to CeRu{sub 2}Si{sub 2} is observed, and it is smallest for the three CeMIn{sub 5} compounds. The f-occupation increases in the same sequence and is close to one for the CeMIn{sub 5} family.

  13. Spray drying of spherical Li{sub 4}Ti{sub 5}O{sub 12}/C powders using polyvinyl pyrrolidone as binder and carbon source

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wei [Research Center for New Energy Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 110049 (China); Shanghai Nanotechnology Promotion Center, Shanghai 200237 (China); Wang, Qian; Cao, Chunhui [Research Center for New Energy Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 110049 (China); Han, Xuewu [Research Center for New Energy Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Zhang, Jian, E-mail: zjskycn@163.com [Research Center for New Energy Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Xie, Xiaohua, E-mail: xiaohuaxie@126.com [Research Center for New Energy Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Xia, Baojia [Research Center for New Energy Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 110049 (China)

    2015-02-05

    Highlights: • The spherical Li{sub 4}Ti{sub 5}O{sub 12}/C granules were prepared by spray drying. • Polyvinyl pyrrolidone (PVP) was used as binder and carbon source. • Tap density and spherical structure increase with the increase of PVP content. • Li{sub 4}Ti{sub 5}O{sub 12}/C granules exhibits better rate capability and excellent cyclability. - Abstract: Polyvinyl pyrrolidone (PVP) was used as binder and carbon source to synthesize stable and spherical Li{sub 4}Ti{sub 5}O{sub 12}/C granules by spray drying. The effects of PVP content and atmospheres on the properties of Li{sub 4}Ti{sub 5}O{sub 12} were investigated. The obtained samples were characterized by X-ray diffraction, scanning electron microscopy, Raman spectroscopy, and electrochemical tests, respectively. The results indicate that the average particle size, tap density and degree of spherical structure increase accordingly to the increase of PVP content. However, the large secondary particle would deteriorate the rate capacity at high current density. The carbon coating could significantly improve the rate capacity, which is attributed to the smaller primary particle and higher electrical conductivity.

  14. Densification and mechanical properties of sintered Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12} ceramic composite

    Energy Technology Data Exchange (ETDEWEB)

    Paneto, Flavio Jose; Pereira, Joaquim Lopes; Oliveira, Jean de Lima; Jesus Filho, Edson de; Silva, Leandro Anselmo da; Cabral, Ricardo de Freitas; Santos, Claudinei dos [Centro Universitario de Volta Redonda (UNIFOA), Volta Redonda, RJ (Brazil); Lima, Eduardo de Sousa [Institutlo Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil)

    2014-06-15

    In this work, Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12} ceramic composites were developed with different proportions of Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12}, which were mixed and compacted at different pressures of 40MPa to 100MPa, being consequently sintered at 1600 deg C-2h. The sintered samples were characterized by X-ray diffraction presenting α-Al{sub 2}O{sub 3} and Y{sub 3}Al{sub 5}O{sub 12} as crystalline phases. Samples with relative densities ranging from 78 to 80% and 87 to 91% were obtained depending on the composition and the compaction pressure used. The hardness values obtained were of 1010 to 1080HV and 370- 470HV, for mixes Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12} having the composition with levels of 20 and 36.5wt.%, respectively. (author)

  15. Structural, optical and electrical properties of CuIn{sub 5}S{sub 8} thin films grown by thermal evaporation method

    Energy Technology Data Exchange (ETDEWEB)

    Gannouni, M., E-mail: gm_mounir@yahoo.fr [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs -ENIT BP 37, Le belvedere 1002-Tunis (Tunisia); Kanzari, M. [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs -ENIT BP 37, Le belvedere 1002-Tunis (Tunisia)

    2011-05-19

    Highlights: > In this work, thin films of CuIn{sub 5}S{sub 8} were successfully deposited onto glass substrates by thermal evaporation and annealed in air. > Post-depositional annealing effects on structural, optical and electrical properties of thermal evaporated CuIn{sub 5}S{sub 8} thin films were studied. > The results reported in this work make this material attractive as an absorber material in solar cells applications. - Abstract: Stoichiometric compound of copper indium sulfur (CuIn{sub 5}S{sub 8}) was synthesized by direct reaction of high purity elemental copper, indium and sulfur in an evacuated quartz tube. The phase structure of the synthesized material revealed the cubic spinel structure. The lattice parameter (a) of single crystals was calculated to be 10.667 A. Thin films of CuIn{sub 5}S{sub 8} were deposited onto glass substrates under the pressure of 10{sup -6} Torr using thermal evaporation technique. CuIn{sub 5}S{sub 8} thin films were then thermally annealed in air from 100 to 300 deg. C for 2 h. The effects of thermal annealing on their physico-chemical properties were investigated using X-ray diffraction (XRD), Energy-dispersive X-ray spectroscopy (EDX), scanning electron microscope (SEM), optical transmission and hot probe method. XRD studies of CuIn{sub 5}S{sub 8} thin films showed that as-deposited films were amorphous in nature and transformed into polycrystalline spinel structure with strong preferred orientation along the (3 1 1) plane after the annealing at 200 deg. C. The composition is greatly affected by thermal treatment. From the optical transmission and reflection, an important absorption coefficient exceeds 10{sup 4} cm{sup -1} was found. As increasing the annealing temperature, the optical energy band gap decreases from 1.83 eV for the as-deposited films to 1.43 eV for the annealed films at 300 deg. C. It was found that CuIn{sub 5}S{sub 8} thin film is an n-type semiconductor at 300 deg. C.

  16. Luminescent properties of Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zorenko, Yu., E-mail: zorenko@ukw.edu.pl [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, Powstańców Wielkopolskich No 2, 85-090 Bydgoszcz (Poland); Zorenko, T. [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, Powstańców Wielkopolskich No 2, 85-090 Bydgoszcz (Poland); Department of Electronics, Ivan Franko National University of Lviv, Gen. Tarnavskyj str. 107, 70017 Lviv (Ukraine); Malinowski, P. [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, Powstańców Wielkopolskich No 2, 85-090 Bydgoszcz (Poland); Sidletskiy, O.; Neicheva, S. [Institute for Scintillation Materials, National Academy of Sciences of Ukraine, Lenina pr. 60, 61001 Kharkiv (Ukraine)

    2014-12-15

    Absorption, luminescent and scintillation properties of Ce{sup 3+} doped Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12} crystals with Ga content in the x=1–5 range were investigated in this work and compared with the properties of YAG:Ce crystals. Apart from the traditional spectral methods (absorption, cathodoluminescence and light yield measurements), the intrinsic and Ce{sup 3+} related luminescence of Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce solid-solution were also investigated using the luminescent spectroscopy under excitation by synchrotron radiation in the 3.7–25 eV range. We show that the optical properties Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce garnets monotonically change with increasing the Ga content in the x=0–3 range due to preferable localization of Ga ions in the tetrahedral position of the garnet lattice. At the highest Ga concentration (x>3) the deviation of the optical properties of Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce garnets is observed from the respective properties of these crystals with Ga content in the x=0–3 range due to occupation by Ga ions of the octahedral position in the garnet host. - Highlights: • Different dependence of optical properties of Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce crystals on Ga content in x=0–3 and 3–5 ranges. • Elimination of the luminescence of Y{sub Al} antisite defects in Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce crystals at x>2. • Significant improvement of the scintillation properties of Y{sub 3}Al{sub 5−x}Ga{sub x}O{sub 12}:Ce crystals at x=2 and 3 in comparison with YAG:Ce.

  17. 3-D MnNb{sub 2}O{sub 6} nanogears from 1-D Nb{sub 2}O{sub 5} nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Hu Weibing, E-mail: w.hu@tom.com [School of Chemical and Environmental Engineering, Hubei Institute for Nationalities, Enshi 445000 (China); Cui Zhicai [School of Chemical and Environmental Engineering, Hubei Institute for Nationalities, Enshi 445000 (China); Mi Yuanzhu [School of Chemistry and Environmental Engineering, Yangtze University, Nanhuan Road 1, Jingzhou 434023 (China)

    2012-04-16

    Graphical abstract: The geometry morphology of Nb-based nanomaterial evolved from long Nb{sub 2}O{sub 5} nanorods to a mixture of short Nb{sub 2}O{sub 5} nanorods and MnNb{sub 2}O{sub 6} 6-teeth nanogears, and eventually to fully developed pure 3-D nanogears. Highlights: Black-Right-Pointing-Pointer MnNb{sub 2}O{sub 6} nanogears have been generated by a simple solvothermal process when the Mn: Nb ratio was 1:1. Black-Right-Pointing-Pointer MnNb{sub 2}O{sub 6} 6-teeth nanogears accompanied with MnNb{sub 2}O{sub 6} 5-teeth nanogears are got when the Mn:Nb ratio reached 1:2. Black-Right-Pointing-Pointer The nanomaterial consists of nanorods and 6-teeth nanogears at low Mn:Nb molar ratio(1:4). Black-Right-Pointing-Pointer Pure long Nb{sub 2}O{sub 5} nanorods are achieved by only using NbCl{sub 5} - Abstract: MnNb{sub 2}O{sub 6} nanogears have been generated by using mixed NbCl{sub 5} and MnCl{sub 2} at an optimized ratio of 1:1 in a cyclohexanol solvent in a simple solvothermal process. It has shown that the Mn:Nb ratio determines the shape of the products. Detailed characterization by electron microscopy has shown that increasing the Mn{sup +2} concentration during the solvo-thermal synthesis promotes a morphological evolution from relatively long Nb{sub 2}O{sub 5} nanorods to a mixture of short Nb{sub 2}O{sub 5} nanorods and MnNb{sub 2}O{sub 6} 6-teeth nanogears, then to a mixture of short Nb{sub 2}O{sub 5} nanorods and more MnNb{sub 2}O{sub 6} 6-teeth nanogears, then to more and more MnNb{sub 2}O{sub 6} 6-teeth nanogears that are occasionally accompanied with under-developed MnNb{sub 2}O{sub 6} 5-teeth nanogears, and eventually to fully developed pure 3-D nanogears. The driving force for such interesting geometry transformations is attributed to the inclusion of Mn{sup 2+} into the Nb{sub 2}O{sub 5} template at low Mn{sup 2+} concentrations, which introduces internal stresses to the Nb{sub 2}O{sub 5} nanorods. At high Mn{sup 2+} concentrations, close to the

  18. Preparation, crystallography, magnetic and magnetothermal properties of Ce<sub>5SixGe4-x alloys

    Energy Technology Data Exchange (ETDEWEB)

    Vijayaraghavan, Rangarajan [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    An investigation of the crystal structure and the phase relationships in the Ce<sub>5Si4-xGex system has been carried out. The crystal structures of the single phase intermetallics were characterized using X-ray powder diffraction and subsequent refinement employing the Rietveld analysis technique was performed. The intermetallic system was found to crystallize in three distinct crystal structures. The Ce<sub>5Si4-based solid solution extends from x = 0 to x = 2.15 and it was found to crystallize in the well-known Zr<sub>5Si4-type tetragonal structure. The germanium rich alloys, where 3.1 ≤} x ≤ 4, crystallized in the Sm<sub>5Ge4-type orthorhombic structure. The crystal structure of the intermediate phase, when 2.35 ≤ x ≤ 2.8, was found out to be of the Gd<sub>5Si2Ge2-type monoclinic structure. Microhardness tests were conducted on the samples in order to probe the trend in mechanical properties in this alloy system as a function of Ge concentration. The magnetic, thermal and magnetocaloric properties of the Ce<sub>5Si4-xGex alloy system have been investigated for x = 0, 1.0, 1.8, 2.5, 2.8, 3.5, 3.8 and 4.0. The phases with x = 0, 1.0 and 1.8 crystallize in the tetragonal Zr<sub>5Si4 structure and those with x = 2.5, 2.8 form in the Gd<sub>5Si2Ge2-type monoclinic structure. The alloys with x = 3.5, 3.8 and 4.0 crystallize in the Sm<sub>5Ge4-type orthorhombic structure. The Curie temperature of the tetragonal phases increases with increasing Ge content. The ordering temperatures of the monoclinic and orthorhombic phases remain nearly unaffected by the composition, with the Curie temperatures of the latter slightly higher than those of the former. All the alloys display evidence of antiferromagnetic interactions in the ground state. The orthorhombic and the

  19. The influence of crystal structure on ion-irradiation tolerance in the Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} series

    Energy Technology Data Exchange (ETDEWEB)

    Aughterson, R.D., E-mail: roa@ansto.gov.au [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Lumpkin, G.R.; Reyes, M. de los [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Gault, B. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Baldo, P.; Ryan, E. [Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Whittle, K.R. [Centre for Materials and Structures, School of Engineering, The University of Liverpool, Liverpool L69 3GH UK (United Kingdom); Smith, K.L. [Government International and External Relations, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Cairney, J.M. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia)

    2016-04-01

    This ion-irradiation study covers the four major crystal structure types in the Ln{sub 2}TiO{sub 5} series (Ln = lanthanide), namely orthorhombic Pnma, hexagonal P6{sub 3}/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. This is the first systematic examination of the complete Ln{sub 2}TiO{sub 5} crystal system and the first reported examination of the hexagonal structure. A series of samples, based on the stoichiometry Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} (where x = 2, 1.4, 1, 0.6, and 0) have been irradiated using 1 MeV Kr{sup 2+} ions and characterised in-situ using a transmission electron microscope. Two quantities are used to define ion-irradiation tolerance: critical dose of amorphisation (D{sub c}), which is the irradiating ion dose required for a crystalline to amorphous transition, and the critical temperature (T{sub c}), above which the sample cannot be rendered amorphous by ion irradiation. The structure type plus elements of bonding are correlated to ion-irradiation tolerance. The cubic phases, Yb{sub 2}TiO{sub 5} and Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5}, were found to be the most radiation tolerant, with T{sub c} values of 479 and 697 K respectively. The improved radiation tolerance with a change in symmetry to cubic is consistent with previous studies of similar compounds.

  20. M<sub>5Si3(M=Ti, Nb, Mo) Based Transition-Metal Silicides for High Temperature Applications

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhihong [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    Transition metal silicides are being considered for future engine turbine components at temperatures up to 1600 C. Although significant improvement in high temperature strength, room temperature fracture toughness has been realized in the past decade, further improvement in oxidation resistance is needed. Oxidation mechanism of Ti<sub>5Si3-based alloys was investigated. Oxidation behavior of Ti<sub>5Si3-based alloy strongly depends on the atmosphere. Presence of Nitrogen alters the oxidation behavior of Ti<sub>5Si3 by nucleation and growth of nitride subscale. Ti<sub>5Si3.2and Ti<sub>5Si3C0.5 alloys exhibited an excellent oxidation resistance in nitrogen bearing atmosphere due to limited dissolution of nitrogen and increased Si/Ti activity ratio. MoSi2 coating developed by pack cementation to protect Mo-based Mo-Si-B composites was found to be effective up to 1500 C. Shifting coating composition to T1+T2+Mo3Si region showed the possibility to extend the coating lifetime above 1500 C by more than ten times via formation of slow growing Mo3Si or T2 interlayer without sacrificing the oxidation resistance of the coating. The phase equilibria in the Nb-rich portion of Nb-B system has been evaluated experimentally using metallographic analysis and differential thermal analyzer (DTA). It was shown that Nbss (solid solution) and NbB are the only two primary phases in the 0-40 at.% B composition range, and the eutectic reaction L {leftrightarrow} NbSS + NbB was determined to occur at 2104 ± 5 C by DTA.

  1. On the synthesis and characterization of some new AB{sub 5} type MmNi{sub 4.3}Al{sub 0.3},Mn{sub 0.4}, LaNi{sub 5-{chi}}Si{sub {chi}} ({chi} = 0.1, 0.3, 0.5) and Mg-{chi} wt% CFMmNi{sub 5}-y wt% Si hydrogen storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Srivistava, S.; Sai Raman, S.S.; Singh, B.K.; Srivistava, O.N. [Banaras Hindu Univ., Varanasi (India). Dept. of Physics

    2000-05-01

    The viability and feasibility of Hydrogen Energy becoming the clean alternative to Fossil Fuel Energy through replacement of 'Fossil Fuel' with 'Hydrogen' (the Green Fuel) is inextricably interlinked with development of 'Hydrogen Storage Systems'. Out of the high pressure gaseous hydrogen, liquid hydrogen, storage in glass microspheres, activated carbon, zeolites, hydrogen rich liquids and solid state hydrides, the last option is of implicit importance. Out of the AB (e.g., FeTi, storage capacity -- 1.75 wt%), AB{sub 2} or A{sub 2}B (Mg{sub 2}Ni -- 3.8 wt%), AB{sub 5} (LaNi{sub 5}, MmN{sub 5} -- 1.5 wt%) and K{sub 2} PtCl{sub 6} type (Mg{sub 2}FeH{sub 6} -- 5.2 wt%); the AB{sub 5} type holds potential promise due to easy activation, tolerance to impurities of charging H{sub 2} gas and avid amenability towards material tailoring for improved and better hydrogenation characteristics. We have carried out synthesis, characterization of several of the AB{sub 5} type storage materials. The present paper is aimed at describing and discussing some of our more recent efforts in regard to this. In the present study the hydrogen storage material (MH) has been synthesized through normal casting (Radio Frequency (RF) induction melting) and melt-spinning techniques. The improvements in basic alloys LaNi{sub 5}/MmNi{sub 5} have been studied through structural, microstructural and hydrogenation characteristics. The main features revealed by XRD characterizations are the existence of the free Ni and Si together with AB{sub 5} material in melt-spun alloy of LaNi{sub 5-{chi}}Si{sub {chi}}. These free Ni and Si were found to disappear, giving rise to a singular material after hydrogenation. Also in melt-spun alloy growth has taken place in a direction perpendicular to the c-axis. Melt-spun version was found to be superior over bulk version in regard to kinetics and activation process. For MmNi{sub 4.3}AlO{sub 3}Mn{sub 0.4} alloy, melt-spun version has

  2. TiO{sub 2} colloidal nanocrystals surface modification by V{sub 2}O{sub 5} species: Investigation by {sup 47,49}Ti MAS-NMR and H{sub 2}, CO and NO{sub 2} sensing properties

    Energy Technology Data Exchange (ETDEWEB)

    Epifani, Mauro, E-mail: mauro.epifani@le.imm.cnr.it [Consiglio Nazionale delle Ricerche—Istituto per la Microelettronica e Microsistemi (CNR–IMM), via Monteroni c/o Campus Universitario, I-73100 Lecce (Italy); Comini, Elisabetta [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti 9, 25133 Brescia (Italy); Díaz, Raül [Electrochemical Processes Unit, IMDEA Energy Institute, Avda. Ramón de la Sagra 3, 28935 Móstoles (Spain); Force, Carmen [NMR Unit, Centro de Apoyo Tecnológico, Universidad Rey Juan Carlos, c/Tulipán, s/n, 28933 Móstoles (Spain); Siciliano, Pietro [Consiglio Nazionale delle Ricerche—Istituto per la Microelettronica e Microsistemi (CNR–IMM), via Monteroni c/o Campus Universitario, I-73100 Lecce (Italy); Faglia, Guido [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti 9, 25133 Brescia (Italy)

    2015-10-01

    Highlights: • Novel sensing architecture is presented, made by V{sub 2}O{sub 5} modification of TiO{sub 2} surface. • MAS NMR techniques are a powerful tool for studying the influence of the V{sub 2}O{sub 5} layer. • The V{sub 2}O{sub 5} surface deposition enhanced the adsorption properties with respect to pure TiO{sub 2}. - Abstract: TiO{sub 2} and TiO{sub 2}–V{sub 2}O{sub 5} nanocrystals were prepared by coupling sol–gel and solvothermal methods, followed by heat-treatment at 400 °C, after which the mean nanocrystal size was about 5 nm. The materials were characterized by X-ray diffraction, transmission electron microscopy and solid state nuclear magnetic resonance spectroscopy. It was shown that while the TiO{sub 2} phase was always anatase even after heat-treatment at 500 °C, the presence of the vanadium oxide species enhanced the surface re-configuration of the Ti ions. Hence the coordination environment of surface Ti atoms was drastically changed, by formation of further bonds and imposition of a given local geometry. The final hypothesis was that in pure titania surface rearrangement occurs, leading to the new NMR signal, but this modification was favored in the TiO{sub 2}–V{sub 2}O{sub 5} sample, where the Ti surface atoms were forced into the final configurations by the bonding with V atoms through oxygen. The materials heat-treated at 400 °C were used to process chemoresistive sensors, which were tested to hydrogen, CO and NO{sub 2}, as examples of gases with peculiar sensing mechanisms. The results evidenced that the surface deposition of V{sub 2}O{sub 5} onto the anatase TiO{sub 2} nanocrystals was effective in modifying the adsorption properties of the anatase nanocrystals.

  3. Improvement of photoluminescence properties and thermal stability of Y{sub 2.9}Ce{sub 0.1}Al{sub 5−x}Si{sub x}O{sub 12} phosphors with Si{sub 3}N{sub 4} addition

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Fangfang [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Song, Kaixin, E-mail: kxsong@hdu.edu.cn [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Jiang, Jun [Ningbo Institute of Materials Technologies and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Wu, Song; Zheng, Peng [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Huang, Qingming [Instrument Analysis and Testing Center, Fuzhou University, Fuzhou 350002 (China); Xu, Junming; Qin, Huibin [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China)

    2014-12-05

    Highlights: • Y{sub 2.9}Ce{sub 0.1}Al{sub 5−x}Si{sub x}O{sub 12} phosphors were prepared by solid-state reaction in reduced air ambience. • Si{sup 4+} could be incorporated into the host lattice of Y{sub 3}Al{sub 5}O{sub 12} through partial occupation of the Al{sup 3+} sites. • Si{sub 3}N{sub 4} addition can improve photoluminescence efficiency and thermal stability of Y{sub 3}Al{sub 5}O{sub 12}:Ce. - Abstract: A series of Si{sub 3}N{sub 4} doping Y{sub 2.9}Ce{sub 0.1}Al{sub 5−x}Si{sub x}O{sub 12−3x/2}N{sub 4x/3} phosphors were prepared by solid-state reaction in 95%N{sub 2}–5%H{sub 2} reduced air ambience. The XRD characteristics plus Rietveld refinement results shows that the as-sintered powders are unique crystal phase with the same crystal structure of Y{sub 3}Al{sub 5}O{sub 12} (PDF No. 79-1891). The N element was not detected by the analysis of X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectrum (EDS). The photoluminescence spectra (PL and PLE) tests show that the exciting and emitting intensity of PLE and PL gradually increase due to the increase of Si{sub 3}N{sub 4} concentration. Meanwhile, the phosphorescence decay times are prolonged from 45 ns (x = 0) to 78 ns (x = 0.3), under the monitor of 530 nm wavelength. The thermoluminescence tests (TL) confirm the thermal stability of as-phosphors with Si{sub 3}N{sub 4} addition is much better than that of the pristine Y{sub 2.9}Ce{sub 0.1}Al{sub 5}O{sub 12} phosphors.

  4. Structures and luminescent properties of single-phase La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Qingfeng; Liao, Libing, E-mail: clayl@cugb.edu.cn; Mei, Lefu, E-mail: mlf@cugb.edu.cn; Liu, Haikun

    2016-04-15

    A series of blue-emitting La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} (x= 0, 1, 2, and 3) phosphors with apatite structure were synthesized by a solid-state reaction. The crystal structure and the photoluminescence properties were investigated in detail. The crystallographic occupancy of Ce{sup 3+} in La{sub 2.90}Ce{sub 0.10}Ba{sub 7}(SiO{sub 4}){sub 3}(PO{sub 4}){sub 3}F{sub 2} and La{sub 5.90}Ce{sub 0.10}Ba{sub 4}(SiO{sub 4}){sub 6}F{sub 2} were studied based on Rietveld refinements results and the crystal chemistry rules. La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} exhibited strong blue light emission in the range of 407–414 nm with high thermal stability upon excitation at 276 nm. Besides, the activation energy E of La{sub 5.90}Ce{sub 0.10}Ba{sub 4}(SiO{sub 4}){sub 6}F{sub 2} and La{sub 2.90}Ce{sub 0.10}Ba{sub 7}(SiO{sub 4}){sub 3}(PO{sub 4}){sub 3}F{sub 2} phosphors were calculated to be 0.152 and 0.177 eV. These results suggest that La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} is a potential blue phosphor candidate for near-UV-pumped w-LEDs.

  5. Space space space

    CERN Document Server

    Trembach, Vera

    2014-01-01

    Space is an introduction to the mysteries of the Universe. Included are Task Cards for independent learning, Journal Word Cards for creative writing, and Hands-On Activities for reinforcing skills in Math and Language Arts. Space is a perfect introduction to further research of the Solar System.

  6. Electrochemical conversion of solid Nb{sub 2}O{sub 5} to Nb in sodium chloride melt as proof of oxygen ionisation mechanism of electrodeoxidation

    Energy Technology Data Exchange (ETDEWEB)

    Sri Maha Vishnu, D., E-mail: smvd2@cam.ac.uk [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, 603102 (India); Presently with Materials Chemistry Group, Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, CB3 0FS (United Kingdom); Sanil, N.; Mohandas, K.S. [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, 603102 (India)

    2016-08-25

    The direct electrochemical reduction of a solid metal oxide (MO{sub x}) to metal (M) in calcium chloride melt (FFC Cambridge process) has been proposed to take place via. oxygen ionisation mechanism, MO{sub x} + 2xe{sup −} → M + xO{sup 2−}. However, generation of calcium metal and reduction of the oxide with it too becomes possible under the applied potential condition (3.1 V) of an FFC cell. The unique chemistry of calcium chloride melt, upon cathodic polarisation, makes it difficult to distinguish between the reduction by electrons and calcium metal. Hence in order to confirm the oxygen ionisation theory of electro-deoxidation, electrochemical deoxidation experiments were carried out with sintered Nb{sub 2}O{sub 5} pellet electrodes in molten sodium chloride at 1173 K. The pellets were found reduced to Nb metal. Sodiothermic reduction of Nb{sub 2}O{sub 5} is thermodynamically not feasible (Nb{sub 2}O{sub 5} + 10Na → 5Na{sub 2}O + 2Nb, ΔG°{sub 1173K} = 102.1 kJ) and hence the observed reduction of the oxide is attributed to electrons. This study, for the first time, gives reliable experimental evidence to the oxygen ionisation mechanism of electro-reduction of solid oxides in the FFC process. The experimental results also prove that the electro-reduction of oxides can occur in melts, which otherwise were considered unsuitable from thermodynamic considerations. - Highlights: • In NaCl melt: Negligible O{sup 2−} ion solubility & Na reduction of Nb{sub 2}O{sub 5} to Nb – absent. • Nb{sub 2}O{sub 5} could be electrochemically reduced to spongy Nb in NaCl melt at 1173 K. • Mechanism: Nb{sub 2}O{sub 5} → Na−Nb−O compounds + suboxides of Nb → Na{sub x}NbO{sub y} → Nb. • Metallothermic reduction of oxide in melt - not mandatory for electrodeoxidation. • In FFC Cambridge process: Metallothermic reduction is not essential but desirable.

  7. Microstructure study of the rare-earth intermetallic compounds R<sub>5(SixGe1-x)4 and R<sub>5(SixGe1-x)3

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Qing [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    The unique combination of magnetic properties and structural transitions exhibited by many members of the R<sub>5(SixGe1-x)4 family (R = rare earths, 0 ≤ x ≤ 1) presents numerous opportunities for these materials in advanced energy transformation applications. Past research has proven that the crystal structure and magnetic ordering of the R<sub>5(SixGe1-x)4 compounds can be altered by temperature, magnetic field, pressure and the Si/Ge ratio. Results of this thesis study on the crystal structure of the Er<sub>5Si4 compound have for the first time shown that the application of mechanical forces (i.e. shear stress introduced during the mechanical grinding) can also result in a structural transition from Gd<sub>5Si4-type orthorhombic to Gd<sub>5Si2Ge2-type monoclinic. This structural transition is reversible, moving in the opposite direction when the material is subjected to low-temperature annealing at 500 °C.

  8. Hexagonal perovskites with cationic vacancies. 25. Hexagonal 5 L stacking polytypes in the systems Ba/sub 5/BaWsub(3-x)sup(VI)Msub(x)sup(V)vacantOsub(15-x/2)vacantsub(x/2) with Msup(V) = Nb, Ta

    Energy Technology Data Exchange (ETDEWEB)

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

    1980-12-01

    In the systems BaO-M/sub 2/sup(V)O/sub 5/-WO/sub 3/ (Msup(V) = Nb, Ta) a new phase Ba/sub 5/BaWsub(3-x)Msub(x)sup(V)vacantOsub(15-x/2)vacantsub(x/2) with hexagonal 5 L structure (sequence hhccc; space group P-3m1) could be prepared. The range of existence is restricted to Msup(V) containing compounds. With Msup(V) = Nb the lower phase boundary is x = 3. In the Ta system it is reached between x = 2 and 3; the pure Ta pervoskite (Ba:Ta:O = 6:3:13 1/2 = 4:2:9) represents the final member of the series Ba/sub 3/Srsub(1-y)Basub(y)Ta/sub 2/O/sub 9/ with y = 1.

  9. Stability of the hydrogen absorption and desorption plateaux in LaNi[sub 5]-H. Pt. 3. Experimental observations of compositional inhomogeneities due to temperature gradients

    Energy Technology Data Exchange (ETDEWEB)

    Kisi, E H [Newcastle upon Tyne Univ. (United Kingdom). Dept. of Mechanical Engineering; Gray, E MacA [School of Science, Griffith University, Brisbane, Qld. 4111 (Australia)

    1995-01-15

    It has been predicted by Pons and Dantzer that temperature gradients due to the released enthalpy of H absorption-desorption will generate macroscopic inhomogeneities of the [alpha]/[beta] phase proportions in metal hydrides. We used in situ X-ray diffraction and in situ neutron diffraction respectively to study the growth of [beta]-LaNi[sub 5]-H at the free surface, and [beta]-LaNi[sub 5]-D in the bulk of powdered samples. It was found that a macroscopic compositional inhomogeneity does occur, and can be so severe that the free surface of the sample remains pure [alpha] phase while the bulk of the sample is rich in [beta] phase. ((orig.))

  10. Facile synthesis of hierarchically porous Li{sub 4}Ti{sub 5}O{sub 12} microspheres for high rate lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Shen, L.F.; Luo, H.J.; Yuan, C.Z.; Su, X.F.; Xu, K.; Zhang, X.G. [Nanjing Univ. of Aeronautics and Astronautics (China). College of Material Science and Engineering

    2010-07-01

    Lithium-ion (Li-ion) batteries are used in electric vehicles (EVs) and hybrid electric vehicles (HEVs) due to their excellent energy storage capacity. Graphite is widely used as an anode material in EV and HEV applications. This study investigated the use of a lithium-titanium alloy (Li{sub 4}Ti{sub 5}O{sub 12}) designed to avoid reductions of the electrolyte on the surface of the electrode. The study showed that the composite material shows excellent cycling performance, excellent reversibility, structural stability, and Li-ion mobility in the charge-discharge process. A simple template-free hydrothermal method for fabricating Li{sub 4}Ti{sub 5}O{sub 12} hierarchical microspheres assembled by uniform nanoparticles was presented. The 1-step process produced microspheres with a high yield and uniform diameter. Details of the synthesis process, and the electrochemical and structural properties of the resulting materials were presented. 5 refs.

  11. Electron radiation damages to dicalcium (Ca{sub 2}SiO{sub 4}) and tricalcium (Ca{sub 3}SiO{sub 5}) orthosilicates

    Energy Technology Data Exchange (ETDEWEB)

    Noirfontaine, Marie-Noëlle de; Dunstetter, Frédéric [Laboratoire des Solides Irradiés, UMR CNRS 7642, Ecole Polytechnique, Université Paris-Saclay, F-91128 Palaiseau Cedex (France); Courtial, Mireille [Laboratoire des Solides Irradiés, UMR CNRS 7642, Ecole Polytechnique, Université Paris-Saclay, F-91128 Palaiseau Cedex (France); Université d’Artois, 1230 Rue de l’Université, CS 20819, F-62408 Béthune (France); Signes-Frehel, Marcel [Laboratoire des Solides Irradiés, UMR CNRS 7642, Ecole Polytechnique, Université Paris-Saclay, F-91128 Palaiseau Cedex (France); Wang, Guillaume [Laboratoire Matériaux et Phénomènes Quantiques, UMR CNRS 7162, Université Paris Diderot, F-75205 Paris Cedex 13 (France); Gorse - Pomonti, Dominique [Laboratoire des Solides Irradiés, UMR CNRS 7642, Ecole Polytechnique, Université Paris-Saclay, F-91128 Palaiseau Cedex (France)

    2016-05-01

    Electron radiation damages to dicalcium silicate (Ca{sub 2}SiO{sub 4}) and tricalcium silicate (Ca{sub 3}SiO{sub 5}) are reported for the first time in this paper. With increasing flux, between 2.7 × 10{sup 17} and 2.2 × 10{sup 22} e{sup −} cm{sup −2} s{sup −1}, decomposition into nanodomains of crystalline CaO plus an amorphous silica rich phase is first observed for both silicates, then amorphization at higher flux always for both silicates, and finally hole drilling but only for Ca{sub 3}SiO{sub 5}. These structural modifications are accompanied by a net reduction of Ca content under the electron beam depending on the silicate species. These radiation effects occur for values of flux and dose larger than in previously studied orthosilicates (like olivines), and much larger than in all tectosilicates.

  12. SrNi{sub 7.90(8)}In{sub 5.10(8)}. A new superstructure in the NaZn{sub 13} family

    Energy Technology Data Exchange (ETDEWEB)

    Hoffmann, Rolf-Dieter; Poettgen, Rainer [Inst. fuer Anorganische und Analytische Chemie and NRW Graduate School of Chemistry, Univ. Muenster (Germany); Muts, Ihor [Inst. fuer Anorganische und Analytische Chemie and NRW Graduate School of Chemistry, Univ. Muenster (Germany); Inorganic Chemistry Dept., Ivan Franko National Univ., Lviv (Ukraine); Zaremba, Vasyl [Inorganic Chemistry Dept., Ivan Franko National Univ., Lviv (Ukraine)

    2009-07-01

    SrNi{sub 7.90(8)}In{sub 5.10(8)} was synthesized by induction melting of the elements in a sealed tantalum tube in a water-cooled silica sample chamber. The structure was refined on the basis of single crystal X-ray diffractometer data: Cccm, a = 1615.2(4), b = 1822.3(4), c = 1238.5(4) pm, wR2 = 0.1481, 4144F{sup 2} values and 150 variables. The striking structural motifs of the SrNi{sub 7.90}In{sub 5.10} structure are one-dimensional [Ni{sub 7} ] cluster units (242-286 pm Ni-Ni) which are surrounded by indium atoms. The structural relationship to the other NaZn{sub 13} superstructures is discussed on the basis of a group-subgroup scheme. (orig.)

  13. Scanning tunneling microscopy of the atomically smooth (001) surface of vanadium pentoxide V{sub 2}O{sub 5} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Muslimov, A. E., E-mail: amuslimov@mail.ru; Butashin, A. V.; Kanevsky, V. M. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Research Centre “Crystallography and Photonics” (Russian Federation)

    2017-01-15

    The (001) cleavage surface of vanadium pentoxide (V{sub 2}O{sub 5}) crystal has been studied by scanning tunneling spectroscopy (STM). It is shown that the surface is not reconstructed; the STM image allows geometric lattice parameters to be determined with high accuracy. The nanostructure formed on the (001) cleavage surface of crystal consists of atomically smooth steps with a height multiple of unit-cell parameter c = 4.37 Å. The V{sub 2}O{sub 5} crystal cleavages can be used as references in calibration of a scanning tunneling microscope under atmospheric conditions both along the (Ñ…, y) surface and normally to the sample surface (along the z axis). It is found that the terrace surface is not perfectly atomically smooth; its roughness is estimated to be ~0.5 Å. This circumstance may introduce an additional error into the microscope calibration along the z coordinate.

  14. Electron lone pair distortion facilitated metal-insulator transition in β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Wangoh, L.; Quackenbush, N. F. [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Marley, P. M.; Banerjee, S. [Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260 (United States); Sallis, S. [Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States); Fischer, D. A.; Woicik, J. C. [Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Piper, L. F. J., E-mail: lpiper@binghamton.edu [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States)

    2014-05-05

    The electronic structure of β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires has been studied with x-ray photoelectron spectroscopy techniques. The recent synthesis of defect-free β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires resulted in the discovery of an abrupt voltage-induced metal insulator transition. First principle calculations predicted an additional V-O-Pb hybridized “in-gap” state unique to this vanadium bronze playing a significant role in facilitating the transition. We confirm the existence, energetic position, and orbital character of the “in-gap” state. Moreover, we reveal that this state is a hybridized Pb 6s–O 2p antibonding lone pair state resulting from the asymmetric coordination of the Pb{sup 2+} ions.

  15. Al{sup 3+} doped V{sub 2}O{sub 5} nanostructure: Synthesis and structural, morphological and optical characterization

    Energy Technology Data Exchange (ETDEWEB)

    Venkatesan, A. [Department of Physics, Panimalar Engineering College, Chennai - 600 123, India and Department of Physics, Presidency College, Chennai - 600 005 (India); Chandar, N. Krishna; Jayavel, R. [Centre for Nanoscience and Technology, Anna University, Chennai - 600 025 (India); Kumar, M. Krishna; Kumar, R. Mohan [Department of Physics, Presidency College, Chennai - 600 005 (India); Arjunan, S. [Department of Physics, R.M.K. Engineering College, Chennai - 601 206 (India)

    2013-02-05

    Al{sub x}V{sub 2-x}O{sub 5}(x = 0,2mol%) nanorods were synthesized at room temperature by facile surfactant free non-aqueous route. The phase pure orthorhombic structure and nanorods-like morphology have been studied by X-ray diffraction (XRD) and High resolution scanning electron microscopy. EDXS spectrum confirms the purity and presence of Al into V{sub 2}O{sub 5} lattice. Optical absorption from DRS UV-Vis spectra showed the band gap broadening due to quantum confinement effect. The results ensure that the dopant cation (Al{sup 3+}) successfully intercalated with the host cation (V{sup 5+}) and the products are promising for electrochromic and catalytic applications.

  16. Effects of V{sub 2}O{sub 5} addition on NiZn ferrite synthesized using two-step sintering process

    Energy Technology Data Exchange (ETDEWEB)

    Hu Jun [College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027 (China); Shi Gang; Ni Zheming; Zheng Li [College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Chen Aimin, E-mail: hjzjut@zjut.edu.cn [College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China)

    2012-06-15

    The combined influence of a two-step sintering (TSS) process and addition of V{sub 2}O{sub 5} on the microstructure and magnetic properties of NiZn ferrite was investigated. As comparison, samples prepared by the conventional single-step sintering (SSS) procedure were also studied. It was found that with 0.3 wt% V{sub 2}O{sub 5} additive, the sample sintered by the two-step sintering process at a high temperature of 1250 Degree-Sign C for 30 min and a lower temperature of 1180 Degree-Sign C for 3 h exhibited more homogeneous microstructure and higher permeability with a high Q-factor. The results showed that the TSS method with suitable additive brought positive improvement of the microstructure and magnetic properties of NiZn ferrite.

  17. Effect of ozone on ruthenium species in alkaline medium. Pt. II. Oxidation of pentahydroxo nitrosyl ruthenate(II) ion RuNO(OH){sub 5}{sup 2-}

    Energy Technology Data Exchange (ETDEWEB)

    Floquet, S. [Commissariat a l' Energie Atomique (CEA/Valrho), Bagnols-sur-Ceze (France); Inst. Lavoisier, IREM UMR 8637, Univ. de Versailles Saint-Quentin, Versailles (France); Eysseric, C. [Commissariat a l' Energie Atomique (CEA/Valrho), Bagnols-sur-Ceze (France)

    2006-07-01

    Oxidation of the nitrosyl ruthenium complex RuNO(OH){sub 5}{sup 2-} has been carried out in sodium hydroxide solutions in contact with a gas flow containing ozone. The RuNO(OH){sub 5}{sup 2-} complex is converted successively into ruthenate and perruthenate ions. An empirical kinetic rate law for the first step has been determined and was shown to depend on concentrations of (i) the ruthenium complex, (ii) the hydroxide ions and (iii) ozone concentration in the gas flow. The second step of the reaction, corresponding to the perruthenate ion formation, shows a complex mechanism and four competing reactions have been proposed to represent it. The influences on the second step kinetics of several parameters such as ozone or hydroxide concentrations or the conditions of the gas-liquid exchange area are also qualitatively discussed. (orig.)

  18. Role of P{sub 2}O{sub 5} on protonic conduction in sol-gel-derived binary phosphosilicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Wang, C.; Abe, Y.; Kasuga, T.; Nogami, M. [Nagoya Institute of Technology, Aichi (Japan). Dept. of Materials Sceince and Engineering

    1999-11-01

    Sol-gel derived P{sub 2}O{sub 5}-SiO{sub 2} glasses were studied and a remarkable improvement in protonic conduction was observed by increasing the P{sub 2}O{sub 5} content. This was attributed to (1) the variation in glass structure including the reduction of the degree of cross-linking skeleton and the increase of specific surface area of glass due to the non-bridging oxygen (P=O) in P-O tetrahedron, (2) the formation of stronger hydrogen bond between hydroxyl group and P=O group as well as hydroxyl group and, (3) the p-{pi} resonance effect in O{sub (3-t)}PO(OH){sub t} unit. (author)

  19. Non-stoichiometric nickel arsenides in nature: The structure of orcelite, Ni{sub 5−x}As{sub 2} (x = 0.25), from the Bon Accord oxide body, South Africa

    Energy Technology Data Exchange (ETDEWEB)

    Bindi, Luca, E-mail: luca.bindi@unifi.it [Dipartimento di Scienze della Terra, Università degli Studi di Firenze, via La Pira 4, I-50121 Firenze (Italy); Tredoux, Marian [Department of Geology, University of the Free State, Bloemfontein 9300 (South Africa); Zaccarini, Federica [Department of Applied Geosciences and Geophysics, University of Leoben, Peter Tunner str. 5, A-8700 Leoben (Austria); Miller, Duncan E. [Department of Geology, University of the Free State, Bloemfontein 9300 (South Africa); Garuti, Giorgio [Department of Applied Geosciences and Geophysics, University of Leoben, Peter Tunner str. 5, A-8700 Leoben (Austria)

    2014-07-15

    Highlights: • The structure of natural orcelite has been solved for the first time. • The non-stoichiometry for orcelite previously reported was confirmed. • Non-stoichiometry could cause disorder phenomena during the crystal growth. - Abstract: The crystal structure of the mineral orcelite, a rare nickel arsenide reported in the literature with the formula Ni{sub 5−x}As{sub 2} (with x = 0.23), was refined using intensity data collected from a crystal from the Bon Accord body, South Africa. This study revealed that the structure is hexagonal, space group P6{sub 3}mc, with a = 6.7922(2), c = 12.4975(5) Å, and V = 499.31(3) Å{sup 3}. The refinement of an anisotropic model led to an R index of 0.028 for 412 independent reflections. The orcelite structure can be described as a distorted variant of the Pd{sub 5}Sb{sub 2} structure. The smaller As atoms are in the centres of distorted tetragonal antiprisms, formed by only Ni atoms. The coordination sphere is completed with two additional Ni atoms opposite to the rectangular faces. Electron microprobe data carried out on the same crystal used for the structural study point to the following formula [on the basis of Σ(As + Fe + Sb)=2]: Ni{sub 4.75}(As{sub 1.93}Fe{sub 0.05}Sb{sub 0.02}). According to the high-quality structure refinement, the minor elements were found to replace As in the structure. An atomic position for Ni was found to be partially occupied (75%), thus confirming the non-stoichiometry for the mineral orcelite previously reported in literature. Such a deviation from the stoichiometry could represent the driving force favouring disorder phenomena during the growth of the mineral.

  20. Site occupancy and magnetic study of Al{sup 3+} and Cr{sup 3+} co-substituted Y{sub 3}Fe{sub 5}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, K. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat, Sultanate of Oman (Oman)], E-mail: bouzi@squ.edu.om; Yousif, A.; Widatallah, H.M. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat, Sultanate of Oman (Oman); Amighian, J. [Department of Physics, University of Isfahan, Isfahan (Iran, Islamic Republic of)

    2008-10-15

    Single-phased polycrystalline Y{sub 3}Fe{sub 5-2x}Al{sub x}Cr{sub x}O{sub 12} garnet samples (x=0, 0.2, 0.4 and 0.6) have been prepared by the conventional ceramic technique. Rietveld refinement of X-ray diffraction patterns of the samples shows them to crystallize in the Ia3d space group and the corresponding lattice constant to decrease with increasing Al{sup 3+} and Cr{sup 3+} contents (x). Moessbauer results indicate that Cr{sup 3+} substitutes for Fe{sup 3+} at the octahedral sites whilst Al{sup 3+} essentially replaces Fe{sup 3+} at the tetrahedral sites. This result indicates that co-doping of Y{sub 3}Fe{sub 5}O{sub 12} does not affect the preferential site occupancy for separate individual substitution of either Cr{sup 3+} or Al{sup 3+}. The magnetization measurements reveal that the Curie temperature (T{sub c}) monotonically decreases with increasing x while the magnetic moment per unit formula decreases up to x=0.4 and then slightly increases for x=0.6. This reflects a progressive weakening of the ferrimagnetic exchange interaction between the Fe{sup 3+} ions at octahedral and tetrahedral sites due to co-substitution. The magnetic moment was calculated using the cations distribution inferred from the Moessbauer data and the collinear ferrimagnetic model, and was found to agree reasonably with the experimentally measured value. The phenomenological amplitude crossover, characterized by the temperature T*, has also been observed in the doped YIG and briefly discussed.

  1. Superconducting Nb{sub 3}Sn intermetallics made by electrochemical reduction of Nb{sub 2}O{sub 5}-SnO{sub 2} oxides

    Energy Technology Data Exchange (ETDEWEB)

    Glowacki, B A; Fray, D J; Yan, X-Y; Chen, G

    2003-05-01

    The article is focused on low temperature superconducting Nb{sub 3}Sn material manufactured by novel electrodeoxidizing method developed in Cambridge whereby the range of alloys and intermetallics are produced cheaply making potential superconducting wires more cost effective. The process of direct electrochemical reduction of Nb{sub 2}O{sub 5}-SnO{sub 2} mixtures and in situ formation of the Nb{sub 3}Sn is discussed in details.

  2. Solid state synthesis of Mn{sub 5}Ge{sub 3} in Ge/Ag/Mn trilayers: Structural and magnetic studies

    Energy Technology Data Exchange (ETDEWEB)

    Myagkov, V.G.; Bykova, L.E.; Matsynin, A.A.; Volochaev, M.N.; Zhigalov, V.S.; Tambasov, I.A. [Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Mikhlin, Yu L. [Institute of Chemistry and Chemical Technology, SB RAS, Krasnoyarsk 660049 (Russian Federation); Velikanov, D.A. [Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Bondarenko, G.N. [Institute of Chemistry and Chemical Technology, SB RAS, Krasnoyarsk 660049 (Russian Federation)

    2017-02-15

    The thin-film solid-state reaction between elemental Ge and Mn across chemically inert Ag layers with thicknesses of (0, 0.3, 1 and 2.2 µm) in Ge/Ag/Mn trilayers was studied for the first time. The initial samples were annealed at temperatures between 50 and 500 °C at 50 °C intervals for 1 h. The initiation temperature of the reaction for Ge/Mn (without a Ag barrier layer) was ~ 120 °C and increased slightly up to ~ 250 °C when the Ag barrier layer thickness increased up to 2.2 µm. In spite of the Ag layer, only the ferromagnetic Mn{sub 5}Ge{sub 3} compound and the Nowotny phase were observed in the initial stage of the reaction after annealing at 500 °C. The cross-sectional studies show that during Mn{sub 5}Ge{sub 3} formation the Ge is the sole diffusing species. The magnetic and cross-sectional transmission electron microscopy (TEM) studies show an almost complete transfer of Ge atoms from the Ge film, via a 2.2 µm Ag barrier layer, into the Mn layer. We attribute the driving force of the long-range transfer to the long-range chemical interactions between reacting Mn and Ge atoms. - Graphical abstract: The direct visualization of the solid state reaction between Mn and Ge across a Ag buffer layer at 500 °C. - Highlights: • The migration of Ge, via an inert 2.2 µm Ag barrier, into a Mn layer. • The first Mn{sub 5}Ge{sub 3} phase was observed in reactions with different Ag layers. • The Ge is the sole diffusing species during Mn{sub 5}Ge{sub 3} formation • The long-range chemical interactions control the Ge atomic transfer.

  3. Optimizing AlF{sub 3} atomic layer deposition using trimethylaluminum and TaF{sub 5}: Application to high voltage Li-ion battery cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, David H. K., E-mail: david.jackson@wisc.edu; Kuech, Thomas F. [Materials Science Program, University of Wisconsin–Madison, Madison, Wisconsin 53706 and Department of Chemical and Biological Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Laskar, Masihhur R.; Ellis, Ryan G. [Department of Chemical and Biological Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Fang, Shuyu; Hamers, Robert J. [Department of Chemistry, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Xu, Shenzhen; Li, Xiaoqing; Morgan, Dane [Department of Materials Science and Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Dreibelbis, Mark [Core R& D, Inorganic Materials and Heterogeneous Catalysis, The Dow Chemical Company, Midland, Michigan 48674 (United States); Babcock, Susan E. [Materials Science Program, University of Wisconsin–Madison, Madison, Wisconsin 53706 and Department of Materials Science and Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Mahanthappa, Mahesh K. [Materials Science Program, University of Wisconsin–Madison, Madison, Wisconsin 53706 and Department of Chemistry, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States)

    2016-05-15

    Atomic layer deposition (ALD) of conformal AlF{sub 3} coatings onto both flat silicon substrates and high-voltage LiNi{sub 0.5}Mn{sub 0.3}Co{sub 0.2}O{sub 2} (NMC) Li-ion battery cathode powders was investigated using a Al(CH{sub 3}){sub 3}/TaF{sub 5} precursor combination. This optimized approach employs easily handled ALD precursors, while also obviating the use of highly toxic HF(g). In studies conducted on planar Si wafers, the film's growth mode was dictated by a competition between the desorption and decomposition of Ta reaction byproducts. At T ≥ 200 °C, a rapid decomposition of the Ta reaction byproducts to TaC led to continuous deposition and high concentrations of TaC in the films. A self-limited ALD growth mode was found to occur when the deposition temperature was reduced to 125 °C, and the TaF{sub 5} exposures were followed by an extended purge. The lower temperature process suppressed conversion of TaF{sub x}(CH{sub 3}){sub 5−x} to nonvolatile TaC, and the long purges enabled nearly complete TaF{sub x}(CH{sub 3}){sub 5−x} desorption, leaving behind the AlF{sub 3} thin films. NMC cathode powders were coated using these optimized conditions, and coin cells employing these coated cathode particles exhibited significant improvements in charge capacity fade at high discharge rates.

  4. Comparative study of structural and morphological properties of CuIn{sub 3}S{sub 5} and CuIn{sub 7}S{sub 11} materials

    Energy Technology Data Exchange (ETDEWEB)

    Khemiri, N., E-mail: naoufel_khemiri@yahoo.f [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs, ENIT BP 37, Le belvedere 1002-Tunis (Tunisia); Kanzari, M. [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs, ENIT BP 37, Le belvedere 1002-Tunis (Tunisia)

    2010-02-15

    CuIn{sub 3}S{sub 5} and CuIn{sub 7}S{sub 11} powders were prepared by solid-state reaction method using high-purity elemental copper, indium and sulphur. The films prepared from CuIn{sub 3}S{sub 5} and CuIn{sub 7}S{sub 11} powders were grown by thermal evaporation under vacuum (10{sup -6} Torr) on glass substrates at different substrate temperature Ts varying from room temperature to 200 deg. C. The powders and thin films were characterized for their structural properties by using X-ray diffraction (XRD) and energy dispersive X-ray (EDX). Both powders were polycrystalline with chalcopyrite and spinel structure, respectively. From the XRD data, we calculated the lattice parameters of the structure for the compounds. For CuIn{sub 3}S{sub 5} powder, we also calculated the cation-anion bond lengths. The effect of substrate temperature Ts on the structural properties of the films, such as crystal phase, preferred orientation and crystallinity was investigated. Indeed, X-ray diffraction analysis revealed that the films deposited at a room temperature (30 deg. C) are amorphous in nature while those deposited on heated were polycrystalline with a preferred orientation along (1 1 2) of the chalcopyrite phase and (3 1 1) of the spinel phase for CuIn{sub 3}S{sub 5} and CuIn{sub 7}S{sub 11} films prepared from powders, respectively. The morphology of the films was determined by atomic force microscopy AFM. The surface roughness and the grain size of the films increase on increasing the substrate temperature.

  5. Identification and roles of nonstoichiometric oxygen in amorphous Ta{sub 2}O{sub 5} thin films deposited by electron beam and sputtering processes

    Energy Technology Data Exchange (ETDEWEB)

    Mannequin, Cedric, E-mail: MANNEQUIN.Cedricromuald@nims.go.jp [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan); Tsuruoka, Tohru [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan); Hasegawa, Tsuyoshi [Department of Applied Physics, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Aono, Masakazu [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2016-11-01

    Highlights: • A detail study of the composition and morphology of amorphous tantalum oxide films obtained by electron-beam evaporation and radio-frequency sputtering is carried out. • The mechanisms for moisture absorption by tantalum oxides are proposed. • Deposition-dependent high oxygen stoichiometry of the films is revealed. • Formations of dangling bonds, hydroxyls groups and bidendate water bridges are identified to support the moisture absorption. - Abstract: The morphology and composition of tantalum oxide (Ta{sub 2}O{sub 5}) thin films prepared by electron-beam (EB) evaporation and radio-frequency sputtering (SP) were investigated by grazing incidence X-ray diffraction (GIXRD), X-ray reflectometry (XRR), atomic force microscopy, Fourier transformed infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). GIXRD revealed an amorphous nature for both films, and XRR showed that the density of the Ta{sub 2}O{sub 5}-EB films was lower than that of the Ta{sub 2}O{sub 5}-SP films; both films have lower density than the bulk value. A larger amount of molecular water and peroxo species were detected for the Ta{sub 2}O{sub 5}-EB films by FTIR performed in ambient atmosphere. XPS analyses performed in vacuum confirmed the presence of hydroxyl groups, but no trace of chemisorbed molecular water was detected. In addition, a higher oxygen nonstoichiometry (higher O/Ta ratio) was found for the EB films. From these results, we conclude that the oxygen nonstoichiometry of the EB film accounted for its lower density and higher amount of absorbed molecular water. The results also suggest the importance of understanding the dependence of the structural and chemical properties of thin amorphous oxide films on the deposition process.

  6. The effects of 5f localization on the electronic and magnetic properties of the hexagonal U{sub 3}ZrSb{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Merabiha, O.; Seddik, T. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, Mascara 29000 (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, Mascara 29000 (Algeria); Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar (Pakistan); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Takagiwa, Y. [Department of Advanced Materials Science, The University of Tokyo (Japan); Bin Omran, S. [Department of Physics and Astronomy, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Rached, D. [Magnetic Materials Laboratory, Department of Physics, Faculty of Sciences, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria)

    2014-02-15

    Highlights: • The calculated structural parameters of hexagonal U{sub 3}ZrSb{sub 5} are found in good agreement with the experimental data. • U{sub 3}ZrSb{sub 5} is found to be ferromagnetic material. • Evident effects of the Hubbard U parameter in the uranium “5f” states are noted. • Our band structure calculation show the metallic behavior of this ferromagnetic compound. • The thermodynamic properties are predicted through the quasi-harmonic Debye model. -- Abstract: Structural, magnetic, electronic and thermodynamic properties of the hexagonal U{sub 3}ZrSb{sub 5} are theoretically investigated by using the full potential linearized augmented plane wave plus local orbital’s (FP-LAPW + lo) method. The exchange–correlation potential was treated with the generalized gradient approximation GGA of Wu and Cohen. Moreover, the GGA + U approximation (where U is the Hubbard correlation terms) is employed to treat the f electrons properly. The calculated structural parameters are in good agreement with the experimental data. The magnetic study reveals that U{sub 3}ZrSb{sub 5} is a ferromagnetic material. Furthermore, we present a comparative study between the band structures, electronic structures, total and partial densities of states and local moments calculated within both GGA and GGA + U schemes. Our band structure calculations show the metallic behavior of this ferromagnetic compound. The thermodynamic properties are predicted through the quasi-harmonic Debye model, in which the lattice vibrations are taken into account. The variation of relative change in volume, heat capacities and the Debye temperature with temperature and pressure are successfully achieved.

  7. Electronic structure, Fermi surface topology and spectroscopic optical properties of LaBaCo{sub 2}O{sub 5.5} compound

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Al-Douri, Y. [Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Khan, Wilayat; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Azam, Sikander, E-mail: sikander.physicst@gmail.com [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic)

    2014-08-01

    We have investigated the electronic band structure, Fermi surface topology, chemical bonding and optical properties of LaBaCo{sub 2}O{sub 5.5} compound. The first-principle calculations based on density functional theory (DFT) by means of the full-potential linearized augmented plane-wave method were employed. The atomic positions of LaBaCo{sub 2}O{sub 5.5} compound were optimized by minimizing the forces acting on atoms. We employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel–Vosko GGA (EVGGA) to treat the exchange correlation potential by solving Kohn–Sham equations. Electronic structure and bonding properties are studied throughout the calculation of densities of states, Fermi surfaces and charge densities. Furthermore, the optical properties are investigated via the calculation of the dielectric tensor component in order to characterize the linear optical properties. Optical spectra are analyzed by means of the electronic structure, which provides theoretical understanding of the conduction mechanism of the investigated compound. - Highlights: • DFT-FPLAPW method used for calculating the properties of LaBaCo{sub 2}O{sub 5.5} compound. • This study shows that nature of the compound is metallic. • Crystallographic plane which shows covalent character of O–Co bond. • The optical properties were also calculated and analyzed. • The Fermi surface of LaBaCo{sub 2}O{sub 5.5} is composed of five bands crossing along Γ–Z direction.

  8. Effects of synthesis conditions on structure and surface properties of SmMn{sub 2}O{sub 5} mullite-type oxide

    Energy Technology Data Exchange (ETDEWEB)

    Thampy, Sampreetha; Ibarra, Venessa; Lee, Yun-Ju [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States); McCool, Geoffrey [Nanostellar Inc., 3696 Haven Avenue, Redwood City, CA 94063 (United States); Cho, Kyeongjae [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States); Hsu, Julia W.P., E-mail: jwhsu@utdallas.edu [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States)

    2016-11-01

    Highlights: • Investigate the effects of calcination temperature and precipitation pH on crystallinity, phase purity, particle size, surface composition, and NO adsorption capacity of SmMn{sub 2}O{sub 5}. • High calcination temperature increases mullite phase purity but decreases specific surface area (SSA). • Mullite phase purity is independent of pH while SSA monotonically increases. • SSA and surface Mn/Sm ratio determine NO uptake. - Abstract: A mixed-phase compound that contains SmMn{sub 2}O{sub 5} mullite-type oxides has been reported to display excellent catalytic activity for nitric oxide (NO) oxidation. Here we investigate the effects of calcination temperature and precipitation pH on structural, physical, chemical, and surface properties of SmMn{sub 2}O{sub 5}. As the calcination temperature increases from 750 °C to 1000 °C, mullite phase purity increases from 74% to 100%, while specific surface area (SSA) decreases from 23.6 m{sup 2}/g to 5.1 m{sup 2}/g with particle size increases correspondingly. Mullite phase purity (87%) is independent of pH between 8.5–10.4, whereas SSA monotonically increases from 12.5 m{sup 2}/g at pH 8.1 to 27.4 m{sup 2}/g at pH 13. X-ray photoelectron spectroscopy (XPS) studies reveal that the surface Mn/Sm ratio is similar to the bulk value and is unaffected by calcination temperature and pH values up to 10.4, whereas sample precipitated at pH 13 is surface-rich in Sm. NO chemisorption studies show that the SSA and surface Mn/Sm ratio determine NO uptake by SmMn{sub 2}O{sub 5} mullite oxides.

  9. Combustion synthesis as a novel approach in preparation of polycrystalline Y{sub 2}Cu{sub 2}O{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Gebrel, Z., E-mail: z_gebrel@yahoo.com; Blanusa, J.; Spasojevic, V.; Kusigerski, V.; Mrakovic, A.; Alqat, A.; Perovic, M.

    2013-08-15

    Highlights: •Y{sub 2}Cu{sub 2}O{sub 5} was successfully synthesized by both the glycine–nitrate and SHS method. •The reduction of synthesis duration down to 12 h has been achieved. •The detailed crystal structure and magnetic analyses of obtained material are provided. -- Abstract: Polycrystalline samples of Y{sub 2}Cu{sub 2}O{sub 5} were for the first time sintered from precursors obtained by two combustion routes – the glycine–nitrate method (sample S1) and a modified self-propagating high-temperature synthesis (sample S2). The detailed X-ray diffraction analysis has confirmed that both samples are well crystallized and single phase, with the high crystallization degree and cation ordering within a Cu sublattice. Magnetic characterization has shown magnetic behavior typical of pure Y{sub 2}Cu{sub 2}O{sub 5}. The distinctive advantages of these new synthesis routes in comparison to the ceramic sintering are in simplification of the overall procedure as well as in a significant reduction of synthesis duration from several days down to 31 h (S1) or 12 h (S2)

  10. Nature of active centers of catalytic system of VOCl/sub 3/ - Al(C/sub 2/H/sub 5/)/sub 2/Cl

    Energy Technology Data Exchange (ETDEWEB)

    Dubnikova, I L; Meshkova, I N [AN SSSR, Moscow. Inst. Khimicheskoj Fiziki

    1977-05-01

    To investigate the nature of the active sites of the catalyst VOCl/sub 3/-Al(C/sub 2/H/sub 5/)/sub 2/Cl during olefine polymerization, the following factors have been studied: composition and catalytic activity of homogeneous and heterogeneous components of the system, valent state of vanadium entering into the composition of the catalytic sites, effect of an organoaluminium component on the catalytic activity of the system, and the properties of the polymeric products being formed. It has been shown that the catalytic sites of the system VOCl/sub 3/-Al(C/sub 4/H/sub 5/)/sub 2/Cl are located, predominantly, in the heterogeneus phase of the catalyst. A conclusion has been made that heterogeneous catalytic sites are bimetal complexes of alkyl derivatives of vanadium trichloride and aluminuim alkylchlorides and that polycentral mechanism of catalysis of olefine polymerization in the presence of VOCl/sub 3/-Al(C/sub 2/H/sub 5/)/sub 2/Cl is caused by two types of active vanadium-aluminium complexes differing in the nature of an organoaluminium component.

  11. Relativistic band-structure calculations for CeTIn sub 5 (T=Ir and Co) and analysis of the energy bands by using tight-binding method

    CERN Document Server

    Maehira, T; Ueda, K; Hasegawa, A

    2003-01-01

    In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn sub 5 (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and Fermi surfaces of those materials. The obtained energy bands mainly due to the large hybridization between Ce 4 f and In 5 p states well reproduce the Fermi surfaces consistent with the de Haas-van Alphen experimental results. However, when we attempt to understand magnetism and superconductively in CeTIn sub 5 from the microscopic viewpoint, the energy bands obtained in the RLAPW method are too complicated to analyze the system by further including electron correlations. Thus, it is necessary to prepare a more simplified model, keeping correctly the essential characters of the energy bands obtained in the band-structure calculation. For the purpose, we construct a tight-binding model for CeTIn sub 5 by including f-f and p-p hoppings as well as f-p hybridization, which are ex...

  12. Synthesis of stoichiometric Ca{sub 2}Fe{sub 2}O{sub 5} nanoparticles by high-energy ball milling and thermal annealing

    Energy Technology Data Exchange (ETDEWEB)

    Amorim, B.F.; Morales, M.A.; Bohn, F.; Carriço, A.S. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, 59078-900 Natal, RN (Brazil); Medeiros, S.N. de, E-mail: sndemedeiros@gmail.com [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, 59078-900 Natal, RN (Brazil); Dantas, A.L. [Departamento de Física, Universidade do Estado do Rio Grande do Norte, 59610-210 Mossoró, RN (Brazil)

    2016-05-01

    We report the synthesis of Ca{sub 2}Fe{sub 2}O{sub 5} nanoparticles by high-energy ball milling and thermal annealing from α-Fe{sub 2}O{sub 3} and CaCO{sub 3}. Magnetization measurements, Mössbauer and X-ray spectra reveal that annealing at high temperatures leads to better quality samples. Our results indicate nanoparticles produced by 10 h high-energy ball milling and thermal annealing for 2 h at 1100 °C achieve improved stoichiometry and the full weak ferromagnetic signal of Ca{sub 2}Fe{sub 2}O{sub 5}. Samples annealed at lower temperatures show departure from stoichiometry, with a higher occupancy of Fe{sup 3+} in octahedral sites, and a reduced magnetization. Thermal relaxation for temperatures in the 700–1100 °C range is well represented by a Néel model, assuming a random orientation of the weak ferromagnetic moment of the Ca{sub 2}Fe{sub 2}O{sub 5} nanoparticles.

  13. Effects of dopants on the amorphous-to-fcc transition in Ge{sub 2}Sb{sub 2}Te{sub 5} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Privitera, S. [R and D Department, Micro, Power, Analog (MPA) Group, STMicroelectronics, MP8, Stradale Primosole 50, 95121 Catania (Italy)]. E-mail: stefania.privitera@st.com; Rimini, E. [Istituto di Microelettronica e Microsistemi (IMM), Consiglio Nazionale delle Ricerche (CNR), Stradale Primosole 50, 95121 Catania (Italy); Bongiorno, C. [Istituto di Microelettronica e Microsistemi (IMM), Consiglio Nazionale delle Ricerche (CNR), Stradale Primosole 50, 95121 Catania (Italy); Pirovano, A. [FTM, Advanced R and D, NVMTD, STMicroelectronics, Via Olivetti 2, 20041, Agrate Brianza (Italy); Bez, R. [FTM, Advanced R and D, NVMTD, STMicroelectronics, Via Olivetti 2, 20041, Agrate Brianza (Italy)

    2007-04-15

    The amorphous-to-crystal transition has been studied through in situ resistance measurements in Ge{sub 2}Sb{sub 2}Te{sub 5} thin films doped by ion implantation with nitrogen, oxygen or fluorine at different concentrations. Enhancement of the thermal stability has been observed in O and N amorphous doped Ge{sub 2}Sb{sub 2}Te{sub 5}. Larger effects have been found in the case of nitrogen doping. On the contrary, doping with Fluorine produced a decrease in the crystallization temperature. The electrical properties have been related to the structural phase change through in situ transmission electron microscopy analysis. The comparison between undoped and doped Ge{sub 2}Sb{sub 2}Te{sub 5} shows that the introduction of oxygen or nitrogen modifies in a different way the kinetics of the amorphous-to-fcc transition and gives new insight on the effects of doping with light elements in GeSbTe alloys.

  14. Evaluation of P{sub 2}O{sub 5} distribution inside the main clinker minerals by the application of EPMA method

    Energy Technology Data Exchange (ETDEWEB)

    Ifka, Tomáš, E-mail: tomas.ifka@savba.sk [Institute of Construction and Architecture, Slovak Academy of Sciences, Dúbravská cesta, 9845 03 Bratislava 45 (Slovakia); Palou, Martin [Institute of Construction and Architecture, Slovak Academy of Sciences, Dúbravská cesta, 9845 03 Bratislava 45 (Slovakia); Baraček, Jan; Šoukal, František; Boháč, Martin [Faculty of Chemistry, Brno University of Technology, Purkyňova 464/118, Brno 612 00 (Czech Republic)

    2014-05-01

    The formation of Portland clinker phases has taken place in thermodynamically non-equilibrium state between macro-oxides CaO, SiO{sub 2}, Al{sub 2}O{sub 3}, Fe{sub 2}O{sub 3} and MgO from raw meal and P{sub 2}O{sub 5} from bone meal. The paper deals with the study of clinker minerals as solid solutions with P{sub 2}O{sub 5} during the clinkerization of raw mixture containing bone meal (BM). The ash of BM has contributed as a raw material to the formation of different clinker phases. Electron probe microanalysis (EPMA) method was used to determine the preferential distribution of P{sub 2}O{sub 5} inside calcium silicate phases and its influence upon C{sub 2}S/C{sub 3}S ratio. Basing on these results, composition of solid solution of C{sub 2}S and C{sub 3}S was established.

  15. The gold-rich indide Sr{sub 5}Au{sub 13.5}In{sub 8.5}

    Energy Technology Data Exchange (ETDEWEB)

    Muts, Ihor [Ivan Franko National Univ. of Lviv (Ukraine). Inorganic Chemistry Dept.; Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Rodewald, Ute C.; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Zaremba, Vasyl' I. [Ivan Franko National Univ. of Lviv (Ukraine). Inorganic Chemistry Dept.

    2011-11-15

    The orthorhombic indide Sr{sub 5}Au{sub 13.5}In{sub 8.5} was obtained during phase-analytical studies of the Sr-Au-In system. This new indide is formed upon melting of the elements in a sealed tantalum tube. Sr{sub 5}Au{sub 13.5}In{sub 8.5} was characterized on the basis of powder and single-crystal X-ray diffraction: Pmmn, a = 476.37(9), b = 2927.5(9), c = 894.9(2) pm, wR2 = 0.056, 2355 F{sup 2} values, 87 variables. The structure is of a new type. The gold and indium atoms build up a complex three-dimensional [Au{sub 13.5}In{sub 8.5}] polyanionic network in which the strontium atoms fill channels which extend in the a direction. One site within the polyanion shows Au/In mixing. The Sr{sub 5}Au{sub 13.5}In{sub 8.5} structure is composed of SrAu{sub 3}In{sub 3-} and SrAu-related slabs. (orig.)

  16. Untwisting the pure spinor formalism to the RNS and twistor string in a flat and AdS{sub 5}×S{sup 5} background

    Energy Technology Data Exchange (ETDEWEB)

    Berkovits, Nathan [ICTP South American Institute for Fundamental Research,Instituto de Física Teórica, UNESP - Universidade Estadual Paulista,Rua Dr. Bento T. Ferraz 271, 01140-070, São Paulo, SP (Brazil)

    2016-06-21

    The pure spinor formalism for the superstring can be formulated as a twisted N=2 worldsheet theory with fermionic generators j{sub BRST} and composite b ghost. After untwisting the formalism to an N=1 worldsheet theory with fermionic stress tensor j{sub BRST}+b, the worldsheet variables combine into N=1 worldsheet superfields X{sup m} and Θ{sup α} together with a superfield constraint relating DX{sup m} and DΘ{sup α}. The constraint implies that the worldsheet superpartner of θ{sup α} is a bosonic twistor variable, and different solutions of the constraint give rise to the pure spinor or extended RNS formalisms, as well as a new twistor-string formalism with manifest N=1 worldsheet supersymmetry. These N=1 worldsheet methods generalize in curved Ramond-Ramond backgrounds, and a manifestly N=1 worldsheet supersymmetric action is proposed for the superstring in an AdS{sub 5}×S{sup 5} background in terms of the twistor superfields. This AdS{sub 5}×S{sup 5} worldsheet action is a remarkably simple fermionic coset model with manifest PSU(2,2|4) symmetry and might be useful for computing AdS{sub 5}×S{sup 5} superstring scattering amplitudes.

  17. Thermodynamic properties of Y/sub 3/Fe/sub 5/O/sub 12/ and TbFeO/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Shchelkotunov, V A; Danilov, V N; Reznitskii, L A; Korobeinikova, A V [Moskovskij Gosudarstvennyj Univ. (USSR)

    1975-01-01

    Two types of chemical compounds-garnets and perovskites - exist in Fe/sub 2/O/sub 3/-Y/sub 2/O/sub 3/ and Fe/sub 2/O/sub 3/-Tb/sub 2/..omega../sub 3/ systems. Both of them are noncompensated antiferromagnetics. Thermal-physical properties of TbFeO/sub 3/ were determined. Values of Csub(p),(Hsub(t)-Hsub(o)) and Ssub(T) in the temperature range 298 to 700 deg K for Y/sub 3/Fe/sub 5/O/sub 12/ and in the range 298 to 600 deg K for TbFeO/sub 3/ were calculated using the experimental data on TbFeO/sub 3/ and Y/sub 3/Fe/sub 5/O/sub 12/ thermal capacity. Magnetic contribution for Y/sub 3/Fe/sub 5/O/sub 12/ Usub(mag)=1617 cal/mol and ..delta..S=3.44 cal/mol.deg. was determined.

  18. Application of Ti/RuO{sub 2}-Ta{sub 2}O{sub 5} electrodes in the electrooxidation of ethanol and derivants: Reactivity versus electrocatalytic efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, J.; De Andrade, A.R. [Departamento de Quimica, Faculdade de Filosofia Ciencias e Letras de Ribeirao Preto, Universidade de Sao Paulo, 14040-9010 Ribeirao Preto, SP (Brazil); Purgato, F.L.S. [Departamento de Quimica, Faculdade de Filosofia Ciencias e Letras de Ribeirao Preto, Universidade de Sao Paulo, 14040-9010 Ribeirao Preto, SP (Brazil); Equipe Electrocatalyse, UMR 6503 CNRS, Universite de Poitiers, 40 Avenue du Recteur Pineau 86022 Poitiers Cedex (France); Kokoh, K.B.; Leger, J.-M. [Equipe Electrocatalyse, UMR 6503 CNRS, Universite de Poitiers, 40 Avenue du Recteur Pineau 86022 Poitiers Cedex (France)

    2008-11-15

    The influence of the preparation method on the performance of RuO{sub 2}-Ta{sub 2}O{sub 5} electrodes was evaluated toward the ethanol oxidation reaction (EOR). Freshly prepared RuO{sub 2}-Ta{sub 2}O{sub 5} thin films containing between 30 and 80 at.% Ru were prepared by two different methods: the modified Pechini-Adams method (DPP) and standard thermal decomposition (STD). Electrochemical investigation of the electrode containing RuO{sub 2}-Ta{sub 2}O{sub 5} thin films was conducted as a function of electrode composition in a 0.5-mol dm{sup -3} H{sub 2}SO{sub 4} solution, in the presence and absence of ethanol and its derivants (acetaldehyde and acetic acid). At a low ethanol concentration (5 mmol dm{sup -3}), ethanol oxidation leads to high yields of acetic acid and CO{sub 2}. On the other hand, an increase in ethanol concentration (15-1000 mmol dm{sup -3}) favors acetaldehyde formation, so acetic acid and CO{sub 2} production is hindered, in this case. Electrodes prepared by DPP provide higher current efficiency than STD electrodes for all the investigated ethanol concentrations. This may be explained by the increase in electrode area obtained with the DPP preparation method compared with STD. (author)

  19. Magnetic circular dichroism studies on microsomal aryl hydrocarbon hydroxylase: comparison with cytochrome b/sub 5/ and cytochrome P-450/sub cam/

    Energy Technology Data Exchange (ETDEWEB)

    Vickery, L; Salmon, A; Sauer, K

    1975-01-01

    Magnetic circular dichroism spectra are reported for the visible and near ultraviolet spectral regions of liver microsomes from dimethylbenzanthracene-treated rats. The sequential addition of NADH, dithionite, and carbon monoxide enables us to determine contributions to the magnetic circular dichroism by cytochromes b/sub 5/ and P-450, which dominate the spectra. The magnetic circular dichroism of the microsomal preparation is compared with that of purified oxidized and reduced cytochrome b/sub 5/ from pig liver and with the camphor-complexed and camphor-free oxidized, reduced, and reduced carbonmonoxy cytochrome P-450/sub cam/ from Pseudomonas putida. The magnetic circular dichroism spectra of the membrane bound cytochrome b/sub 5/ are similar to those of the purified protein, indicating that little or no alteration in the environment of the heme occurs during the isolation procedure. The soluble bacterial cytochrome P-450/sub cam/ also appears to be a suitable model for microsomal P-450, although differences in the magnetic circular dichroism intensity are observed for the two enzymes. No effect of dimethylbenzanthracene on the magnetic circular dichroism spectra of induced compared to control rat microsomes could be observed.

  20. V{sub 2}O{sub 5}-ZrO{sub 2} catalysts for the oxidative dehydrogenation of propane - influence of the niobium oxide doping

    Energy Technology Data Exchange (ETDEWEB)

    Albrecht, S.; Hallmeier, K.H.; Wendt, G. [Leipzig Univ. (Germany). Fakultaet fuer Chemie und Mineralogie; Lippold, G. [Leipzig Univ. (Germany). Fakultaet fuer Physik und Geowissenschaften

    1998-12-31

    The oxidative dehydrogenation (ODH) of light alkanes is an alternative way for the production of olefins. A wide variety of catalytic systems has been investigated. Vanadium oxide based catalysts were described in the literature as effective catalysts for the ODH of propane. The catalytic activity and selectivity depend on the kind of support material, the kind of dopants and the formation of complex metal oxide phases. In recent papers it was claimed that both orthovanadate and/or pyrovanadate species are selective for the ODH of propane. Niobia based materials were investigated as catalysts for acidic and selective oxidation type reactions. In the ODH of propane niobia exhibited a high selectivity to propene but the conversion of propane was low. V{sub 2}O{sub 5}-Nb{sub 2}O{sub 5} catalysts proved to be catalytically active and selective and showed no formation of oxygenates. In the present study the influence of the niobia dopant of the catalytic properties of V{sub 2}O{sub 5}-ZrO{sub 2} catalysts in the ODH of propane was examined. The structural and textural properties of the catalysts were investigated using several methods. (orig.)

  1. Compatibility of a Conventional Non-aqueous Magnesium Electrolyte with a High Voltage V2O<sub>5 Cathode and Mg Anode

    Energy Technology Data Exchange (ETDEWEB)

    Sa, Niya [Argonne National Lab. (ANL), Argonne, IL (United States); Proffit, Danielle L. [Argonne National Lab. (ANL), Argonne, IL (United States); Lipson, Albert L. [Argonne National Lab. (ANL), Argonne, IL (United States); Liu, Miao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Gautam, Gopalakrishnan Sai [Massachusetts Inst. of