Flaw tolerance vs. performance: A tradeoff in metallic glass cellular structures

International Nuclear Information System (INIS)

Chen, Wen; Liu, Ze; Robinson, Hannah Mae; Schroers, Jan

2014-01-01

Stochastic cellular structures are prevalent in nature and engineering materials alike. They are difficult to manipulate and study systematically and almost always contain imperfections. To design and characterize various degrees of imperfections in perfect periodic, stochastic and natural cellular structures, we fabricate a broad range of metallic glass cellular structures from perfectly periodic to highly stochastic by using a novel artificial microstructure approach based on thermoplastic replication of metallic glasses. For these cellular structures, precisely controlled imperfections are implemented and their effects on the mechanical response are evaluated. It is found that the mechanical performance of the periodic structures is generally superior to that of the stochastic structures. However, the stochastic structures experience a much higher tolerance to flaws than the periodic structure, especially in the plastic regime. The different flaw tolerance is explained by the stress distribution within the various structures, which leads to an overall 'strain-hardening' behavior of the stochastic structure compared to a 'strain-softening' behavior in the periodic structure. Our findings reveal how structure, 'strain-hardening' and flaw tolerance are microscopically related in structural materials

LaCrO{sub 3}-dispersed Cr for metallic interconnect of planar SOFC

Energy Technology Data Exchange (ETDEWEB)

Song, Rak-Hyun; Shin, Dong Ryul [Korea Institute of Energy Research, Taejon (Korea, Republic of); Dokiya, Masayuki [National Institute of Materials and Chemical Research, Ibaraki (Japan)

1996-12-31

In the planar SOFC, the interconnect materials plays two roles as an electrical connection and as a gas separation plate in a cell stack. The interconnect materials must be chemically stable in reducing and oxidizing environments, and have high electronic conductivity, high thermal conductivity, matching thermal expansion with an electrolyte, high mechanical strength, good fabricability, and gas tightness. Lanthanum chromite so far has been mainly used as interconnect materials in planar SOFC. However, the ceramic materials are very weak in mechanical strength and have poor machining property as compared with metal. Also the metallic materials have high electronic conductivity and high thermal conductivity. Recently some researchers have studied metallic interconnects such as Al{sub 2}O{sub 3}/Inconel 600 cermet, Ni-20Cr coated with (LaSr)CoO{sub 3}, and Y{sub 2}O{sub 3-} or La{sub 2}O{sub 3}-dispersed Cr alloy. These alloys have still some problems because Ni-based alloys have high thermal expansion, the added Al{sub 2}O{sub 3}, Y{sub 2}O{sub 3} and La{sub 2}O{sub 3} to metals have no electronic conductivity, and the oxide formed on the surface of Cr alloy has high volatility. To solve these problems, in this study, LaCrO{sub 3}-dispersed Cr for metallic interconnect of planar SOFC was investigated. The LaCrO{sub 3}-dispersed Cr can be one candidate of metallic interconnect because LaCrO{sub 3} possesses electronic conductivity and Cr metal has relatively low thermal expansion. The content of 25 vol.% LaCrO{sub 3} Was selected on the basis of a theoretically calculated thermal expansion. The thermal expansion, electrical and oxidation properties were examined and the results were discussed as related to SOFC requirements.

Cellular uptake of metallated cobalamins

DEFF Research Database (Denmark)

Tran, Mai Thanh Quynh; Stürup, Stefan; Lambert, Ian Henry

2016-01-01

Cellular uptake of vitamin B12-cisplatin conjugates was estimated via detection of their metal constituents (Co, Pt, and Re) by inductively coupled plasma mass spectrometry (ICP-MS). Vitamin B12 (cyano-cob(iii)alamin) and aquo-cob(iii)alamin [Cbl-OH2](+), which differ in the β-axial ligands (CN...

Anti-irradiation performance against helium bombardment in bulk metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5}

Energy Technology Data Exchange (ETDEWEB)

Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Wang, Bin; Dong, Chuang; Gong, Faquan; Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Wang, Zhiguang [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

2013-07-15

Highlights: ► This paper used He{sup 2+} ion-irradiated metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} and the W metal with the energy of 500 keV. ► There was no significant irradiation damage phenomenon on the surface of metallic glass at different irradiation fluences. ► For irradiated W, the peeling, delamination and flaking appeared numerously at fluences of 1 × 10{sup 18} and 2 × 10{sup 18} ions/cm{sup 2}. ► The resistance to He{sup 2+} irradiation of metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} was superior to the one in W metal. -- Abstract: In order to compare the resistance to He{sup 2+} ion induced irradiation between metallic glass and polycrystal W metal, this paper used different fluences of He{sup 2+} ion-irradiated metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} and polycrystal W with an energy of 500 keV. The SRIM simulation calculation results showed that the range (1.19 μm) of He{sup 2+} in metallic glass was greater than the one (0.76 μm) in polycrystal W. The SEM analysis showed that there was no significant irradiation damage phenomenon on the surface of metallic glass, and there was only a damage layer 1.45 μm away from the surface when the fluence reached 2 × 10{sup 18} ions/cm{sup 2}. For W, there were surface peeling, flaking and other surface damages at a fluence of 1 × 10{sup 18} ions/cm{sup 2}; when the fluence increased to 2 × 10{sup 18} ions/cm{sup 2}, multilayer detachment phenomenon appeared. The surface root mean square roughness of metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} first increased and then decreased with the increase of fluence. The surface reflectivity of (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} decreased with the increase of fluence. Through detection by XRD, it was found that (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} always maintained amorphous phase after different fluences of radiation. The

Fermi level pinning in metal/Al{sub 2}O{sub 3}/InGaAs gate stack after post metallization annealing

Energy Technology Data Exchange (ETDEWEB)

Winter, R.; Krylov, I.; Cytermann, C.; Eizenberg, M. [Department of Materials Science and Engineering, Technion—Israel Institute of Technology, Haifa 32000 (Israel); Tang, K.; Ahn, J.; McIntyre, P. C. [Department of Materials Science and Engineering, Stanford University, Stanford, California 94305 (United States)

2015-08-07

The effect of post metal deposition annealing on the effective work function in metal/Al{sub 2}O{sub 3}/InGaAs gate stacks was investigated. The effective work functions of different metal gates (Al, Au, and Pt) were measured. Flat band voltage shifts for these and other metals studied suggest that their Fermi levels become pinned after the post-metallization vacuum annealing. Moreover, there is a difference between the measured effective work functions of Al and Pt, and the reported vacuum work function of these metals after annealing. We propose that this phenomenon is caused by charging of indium and gallium induced traps at the annealed metal/Al{sub 2}O{sub 3} interface.

Crystallization of Zr<sub>2sub>Pd_xCu>1-xsub> and Zr<sub>2sub>Ni_xCu>1-xsub> Metallic Glass

Energy Technology Data Exchange (ETDEWEB)

Xu, Min [Iowa State Univ., Ames, IA (United States)

2008-01-01

One interesting aspect of rretallic glasses is the numerous instances of the deviation of the phase selection from the amorphous state to thermodynamically stable phases during the crystallization process. Their devitrification pathways allow us to study the relationship between the original amorphous structure and their crystalline counter parts. Among the various factors of phase selections, size and electronic effects have been most extensively studied. Elucidating the phase selection process of a glassy alloy will be helpful to fill in the puzzle of the changes from disordered to ordered structures. In this thesis, Two model Zr<sub>2sub>Pd_xCu>1-xsub> and Zr<sub>2sub>Ni_xCu>1-xsub> (x = 0, 0.25, 0.5, 0.75 and 1) glassy systems were investigated since: (1) All of the samples can be made into a homogenous metallic glass; (2) The atomic radii differ from Pd to Cu is by 11%, while Ni has nearly the identical atomic size compare to Cu. Moreover, Pd and Ni differ by only one valence electron from Cu. Thus, these systems are ideal to test the idea of the effects of electronic structure and size factors; (3) The small number of components in these pseudo binary systems readily lend themselves to theoretical modeling. Using high temperature X-ray diffraction (HTXRD) and thermal analysis, topological, size, electronic, bond and chemical distribution factors on crystallization selections in Zr<sub>2sub>Pd_xCu>1-xsub> and Zr<sub>2sub>Ni_xCu>1-xsub> metallic glass have been explored. All Zr<sub>2sub>Pd_xCu>1-xsub> compositions share the same Cu11b phase with different pathways of meta-stable, icosahedral quasicrystalline phase (i-phase), and C16 phase formations. The quasicrystal phase formation is topologically related to the increasing icosahedral short range order (SRO) with Pd content in Zr<sub>2sub>Pd_xCu>1-xsub> system. Meta-stable C16 phase is competitive with

Resistance to He{sup 2+} irradiation damage in metallic glass Ta{sub 38}Ni{sub 62}

Energy Technology Data Exchange (ETDEWEB)

Hou, Wenjing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Zhang, Xiaonan; Wang, Yingmin; Qiang, Jianbing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Sun, Jianrong [Institute of Modern Physics, The Chinese Academy of Sciences, Lanzhou 730000 (China); Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China)

2016-10-15

Highlights: • Metallic glass Ta{sub 38}Ni{sub 62} irradiated by different fluence of He{sup 2+} remained amorphous. • The helium bubble layer appeared at the end of ion range 1.01 μm away from surface. • Helium bubbles were larger in the layer center and reduced to top and bottom sides. • No significant damage appeared in the surface of metallic glass Ta{sub 38}Ni{sub 62}. • Ta{sub 38}Ni{sub 62} better resisted to He{sup 2+} irradiation than W and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17}. - Abstract: Metallic glass Ta{sub 38}Ni{sub 62} strips, metallic W, and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy were irradiated using a 500 keV He{sup 2+} ion beam at different fluence to compare the metallic glass resistance to irradiation. Metallic glass Ta{sub 38}Ni{sub 62} remained amorphous at different He{sup 2+} irradiation fluence. Transmission electron microscopy analysis revealed the presence of helium bubbles at the end of the range of helium ions in the metallic glass. No significant damage resulted in the metallic glass surface, and the root mean square roughness increased nonlinearly with the increase in fluence. At 1 × 10{sup 18} ions/cm{sup 2}, metallic W appeared in larger sunken areas on the surface and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy experienced multi-layer flaking. The metallic glass Ta{sub 38}Ni{sub 62} resistance to He{sup 2+} ion beam irradiation was better than that of metallic W, and that of the V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy was the poorest.

Low-density to high-density transition in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z [International Center for New-Structured Materials, Zhejiang University, Hangzhou 310027 (China); Fang, Y Z; Wu, F M [College of Mathematics, Physics and Information Engineering, Zhejiang Normal University, Jinhua 321004, Zhejiang (China); Yang, K; Li, A G; Yan, S; Yu, X H [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203 (China); Lathe, C, E-mail: qiaoshizeng@gmail.co, E-mail: jiangjz@zju.edu.c [HASYLAB am DESY, Notkestrasse 85, Hamburg D-22603 (Germany)

2010-09-22

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T{sub x}) between them with a turning point at about 2 GPa. Compared with Ce{sub 75}Al{sub 25} metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T{sub x} and changes their slopes dT{sub x}/dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

Corrosion of Cellular Metals in Marine Environments

National Research Council Canada - National Science Library

Scully, John R

2006-01-01

.... The basis for this work is an interdisciplinary approach that aims to understand: (a) the electrochemical, chemical, and metallurgical conditions that corrode cellular metals in marine environments when fabricated by brazing processes, (b...

Noise Reduction Potential of Cellular Metals

Directory of Open Access Journals (Sweden)

Björn Hinze

2012-06-01

Full Text Available Rising numbers of flights and aircrafts cause increasing aircraft noise, resulting in the development of various approaches to change this trend. One approach is the application of metallic liners in the hot gas path of aero-engines. At temperatures of up to 600 °C only metallic or ceramic structures can be used. Due to fatigue loading and the notch effect of the pores, mechanical properties of porous metals are superior to the ones of ceramic structures. Consequently, cellular metals like metallic foams, sintered metals, or sintered metal felts are most promising materials. However, acoustic absorption depends highly on pore morphology and porosity. Therefore, both parameters must be characterized precisely to analyze the correlation between morphology and noise reduction performance. The objective of this study is to analyze the relationship between pore morphology and acoustic absorption performance. The absorber materials are characterized using image processing based on two dimensional microscopy images. The sound absorption properties are measured using an impedance tube. Finally, the correlation of acoustic behavior, pore morphology, and porosity is outlined.

A better ferrimagnetic half-metal LuCu{sub 3}Mn{sub 4}O{sub 12}: Predicted from first-principles investigation

Energy Technology Data Exchange (ETDEWEB)

Lv Shuhui; Li Hongping [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Graduate School, Chinese Academy of Sciences, Beijing 100049 (China); Han Deming; Wu Zhijian [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Liu Xiaojuan, E-mail: lxjuan@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian, E-mail: jmeng@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2011-03-15

Electronic structure calculations based on density functional theory (DFT) within the generalized gradient approximation (GGA) and GGA+U for manganite cuprate compound LuCu{sub 3}Mn{sub 4}O{sub 12} have been performed, using the full-potential linearized augmented plane wave method. The calculated results indicate that LuCu{sub 3}Mn{sub 4}O{sub 12} is ferrimagnetic and half-metallic in both GGA and GGA+U calculations. The minority-spin band gap is 0.7 eV within GGA, which is larger than that of LaCu{sub 3}Mn{sub 4}O{sub 12} (0.3 eV), indicating its better half-metallicity. Further, the minority-spin gap enlarges from 0.7 to 2.8 eV with U taken into account, and simultaneously the Fermi level being shifted to the middle of the gap, making the half-metallic energy gap to be 1.21 eV. These results demonstrate that electronic correlation effect enhances the stability of half-metallic property. These facts make this system interesting candidates for applications in spintronic devices. - Research highlights: The electronic and magnetic properties of LuCu{sub 3}Mn{sub 4}O{sub 12} are analyzed. Both GGA and GGA+U methods are reported and compared. A better half-metal LuCu{sub 3}Mn{sub 4}O{sub 12} is obtained with large half-metallic gap. The results agree very well with the experimental data.

Hydrogen-induced metallicity and strengthening of MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Yakovkin, I.N., E-mail: yakov@iop.kiev.ua; Petrova, N.V.

2014-04-15

Highlights: • Hydrogen inserted into MoS{sub 2} bilayers increases the interlayer interaction. • Adsorbed or intercalated H monolayer makes the surface metallic. • Fermi surface of the H/MoS{sub 2} shows a significant nesting. - Abstract: The performed DFT calculations for MoS{sub 2} layers with adsorbed and intercalated hydrogen indicate that the atomic hydrogen monolayer makes the surface metallic. The physisorbed H{sub 2} does not affect electronic properties of the MoS{sub 2} monolayer, which remains a direct gap semiconductor. Due to forming S–H–S bonds, hydrogen atoms, intercalated into the space between MoS{sub 2} layers, increase the interlayer interaction from 0.12 eV to 0.60 eV. The related increase of the stiffness of the Mo–H–Mo layered system is of a primary importance for the interpretation of images of the surface obtained with the Ultrasonic Force Microscopy (Kolosov and Yamanaka, 1993) [42].

New multifunctional lightweight materials based on cellular metals - manufacturing, properties and applications

International Nuclear Information System (INIS)

Stephani, Guenter; Quadbeck, Peter; Andersen, Olaf

2009-01-01

Cellular metallic materials are a new class of materials which have been the focus of numerous scientific studies over the past few years. The increasing interest in cellular metals is due to the fact that the introduction of pores into the materials significantly lowers the density. These highly porous materials also possess combinations of properties which are not possible to achieve with other materials. Besides the drastic weight and material savings that arise from the cell structure, there are also other application-specific benefits such as noise and energy absorption, heat insulation, mechanical damping, filtration effects and also catalytic properties. Cellular metallic materials are hence multi-functional lightweight materials.

Electronic properties of metal-In{sub 2}O{sub 3} interfaces

Energy Technology Data Exchange (ETDEWEB)

Nazarzadehmoafi, Maryam

2017-02-22

The behavior of the electronic properties of as-cleaved melt-grown In{sub 2}O{sub 3} (111) single crystals was studied upon noble metals, In and Sn deposition using angle-resolved photoemission spectroscopy. The stoichiometry, structural quality and crystal orientation, surface morphology, and the electron concentration were examined by energy dispersive X-ray spectroscopy, Laue diffraction, scanning tunneling microscopy (STM), and Hall-effect measurement, respectively. The similarity of the measured-fundamental and surface-band gaps reveals the nearly flat behavior of the bands at the as-cleaved surface of the crystals. Ag and Au/In{sub 2}O{sub 3} interfaces show Schottky behavior, while an ohmic one was observed in Cu, In, and Sn/In{sub 2}O{sub 3} contacts. From agreement of the bulk and surface band gaps, rectifying contact formation as well as the occurrence of photovoltage effect at the pristine surface of the crystals, it can be deduced that SEAL is not an intrinsic property of the as-cleaved surface of the studied crystals. Moreover, for thick Au and Cu overlayer regime at room temperature, Shockley-like surface states were observed. Additionally, the initial stage of Cu and In growth on In{sub 2}O{sub 3} was accompanied by the formation of a two dimensional electron gas (2DEG) fading away for higher coverages which are not associated with the earlier-detected 2DEG at the surface of In{sub 2}O{sub 3} thin films. The application of the Schottky-Mott rule, using in situ-measured work functions of In{sub 2}O{sub 3} and the metals, showed a strong disagreement for all the interfaces except for Ag/In{sub 2}O{sub 3}. The experimental data also disagree with more advanced theories based on the electronegativity concept and metal-induced gap states models.

4,6-Dimethyl-dibenzothiophene conversion over Al{sub 2}O{sub 3}-TiO{sub 2}-supported noble metal catalysts

Energy Technology Data Exchange (ETDEWEB)

Nunez, Sara [Departamento de Ingenieria de Procesos e Hidraulica, Universidad Autonoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Vicentina, Iztapalapa, 09340, Mexico, D.F. (Mexico); Escobar, Jose, E-mail: jeaguila@imp.mx [Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas 152, San Bartolo Atepehuacan, Gustavo A. Madero, 07730, Mexico, D.F. (Mexico); Vazquez, Armando; Reyes, Jose Antonio de los [Departamento de Ingenieria de Procesos e Hidraulica, Universidad Autonoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Vicentina, Iztapalapa, 09340, Mexico, D.F. (Mexico); Hernandez-Barrera, Melissa [Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas 152, San Bartolo Atepehuacan, Gustavo A. Madero, 07730, Mexico, D.F. (Mexico)

2011-03-15

Research highlights: {yields} Al{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-TiO{sub 2} (molar ratio Al/Ti = 2, AT2) mixed oxides were pore-filling impregnated to obtain Pd, Pt and Pd-Pt catalysts with {approx}1 wt% nominal metal loading. {yields} Reduced catalysts were tested in the 4,6-dimethyl-dibenzothiophene hydrodesulfurization (HDS). {yields} In Pd-containing materials, TiO{sub 2} incorporation into the alumina support was favorable to the catalytic activity of noble metal catalysts. {yields} Enhanced intrinsic activity (per exposed metallic site) was obtained in Pt-containing catalysts supported on the AT2 mixed oxide. {yields} Yield to different products over various catalysts seemed to be strongly influenced by metallic particles dispersion. - Abstract: Al{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-TiO{sub 2} (molar ratio Al/Ti = 2, AT2) mixed oxides were synthesized using a low-temperature sol-gel method and were further pore-filling impregnated to obtain Pd and Pt catalysts with {approx}1 wt% nominal metal loading. Simultaneous impregnation was used to prepare bimetallic materials at Pd:Pt = 80:20. Solids characterization was carried out by N{sub 2}-physisorption, high-resolution transmission electron microscopy (HR-TEM and E-FTEM), X-ray diffraction, temperature-programmed reduction and CO-chemisorption. Reduced (350 deg. C, H{sub 2} flow) catalysts were tested in the 4,6-dimethyl-dibenzothiophene hydrodesulfurization (HDS) (in n-dodecane, at 300 deg. C and 5.5 MPa, batch reactor). In Pd-containing materials, TiO{sub 2} incorporation into the alumina support was favorable to the catalytic activity of noble metal catalysts, where bimetallic Pd-Pt with AT2 carrier had the highest organo-S compound conversion. Enhanced intrinsic activity (per exposed metallic site) was obtained in Pt-containing catalysts supported on the AT2 mixed oxide (as compared to alumina-supported ones). Yield to different products over various catalysts seemed to be strongly influenced by

Lysophosphatidic acid signaling via LPA{sub 1} and LPA{sub 3} regulates cellular functions during tumor progression in pancreatic cancer cells

Energy Technology Data Exchange (ETDEWEB)

Fukushima, Kaori; Takahashi, Kaede; Yamasaki, Eri; Onishi, Yuka [Division of Molecular Oncology, Department of Life Science, Faculty of Science and Engineering, Kindai University, 3-4-1, Kowakae, Higashiosaka, Osaka 577-8502 (Japan); Fukushima, Nobuyuki [Division of Molecular Neurobiology, Department of Life Science, Faculty of Science and Engineering, Kindai University, 3-4-1, Kowakae, Higashiosaka, Osaka 577-8502 (Japan); Honoki, Kanya [Department of Orthopedic Surgery, Nara Medical University, 840 Shijo-cho, Kashihara, Nara 634-8521 (Japan); Tsujiuchi, Toshifumi, E-mail: ttujiuch@life.kindai.ac.jp [Division of Molecular Oncology, Department of Life Science, Faculty of Science and Engineering, Kindai University, 3-4-1, Kowakae, Higashiosaka, Osaka 577-8502 (Japan)

2017-03-01

Lysophosphatidic acid (LPA) signaling via G protein-coupled LPA receptors exhibits a variety of biological effects, such as cell proliferation, motility and differentiation. The aim of this study was to evaluate the roles of LPA{sub 1} and LPA{sub 3} in cellular functions during tumor progression in pancreatic cancer cells. LPA{sub 1} and LPA{sub 3} knockdown cells were generated from PANC-1 cells. The cell motile and invasive activities of PANC-1 cells were inhibited by LPA{sub 1} and LPA{sub 3} knockdown. In gelatin zymography, LPA{sub 1} and LPA{sub 3} knockdown cells indicated the low activation of matrix metalloproteinase-2 (MMP-2) in the presence of LPA. Next, to assess whether LPA{sub 1} and LPA{sub 3} regulate cellular functions induced by anticancer drug, PANC-1 cells were treated with cisplatin (CDDP) for approximately 6 months. The cell motile and invasive activities of long-term CDDP treated cells were markedly higher than those of PANC-1 cells, correlating with the expression levels of LPAR1 and LPAR3 genes. In soft agar assay, the long-term CDDP treated cells formed markedly large sized colonies. In addition, the cell motile and invasive activities enhanced by CDDP were significantly suppressed by LPA{sub 1} and LPA{sub 3} knockdown as well as colony formation. These results suggest that LPA signaling via LPA{sub 1} and LPA{sub 3} play an important role in the regulation of cellular functions during tumor progression in PANC-1 cells. - Highlights: • The cell motile and invasive activities of PANC-1 cells were stimulated by LPA{sub 1} and LPA{sub 3}. • LPA{sub 1} and LPA{sub 3} enhanced MMP-2 activation in PANC-1 cells. • The expressions of LPAR1 and LPAR3 genes were elevated in PANC-1 cells treated with cisplatin. • The cell motile and invasive activities of PANC-1 cells treated with cisplatin were suppressed by LPA{sub 1} and LPA{sub 3} knockdown. • LPA{sub 1} and LPA{sub 3} are involved in the regulation of cellular functions during tumor

Glass formation ability, structure and magnetocaloric effect of a heavy rare-earth bulk metallic glassy Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy

Energy Technology Data Exchange (ETDEWEB)

Jo, C.-L. [Shanghai University, School of Materials Science and Engineering, Yanchang Road 149, Zhabei District, 200072 Shanghai (China)], E-mail: jochollong@163.com; Xia Lei; Ding Ding; Dong Yuanda; Gracien, Ekoko [Shanghai University, School of Materials Science and Engineering, Yanchang Road 149, Zhabei District, 200072 Shanghai (China)

2008-06-30

The glass formation ability, the structure and the magnetocaloric effect of the bulk metallic glassy Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy were investigated. Bulk metallic glassy (BMGs) alloys were prepared by a copper-mold casting method. The glass forming ability and their structure were studied by using X-ray diffraction (XRD) and differential scanning calorimeter (DSC). The XRD analysis revealed that the as-cast cylinder of Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy showed fully amorphous structure in 2 mm diameter. The DSC revealed that the bulk cylinder of the Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy showed a distinct glass transition temperature and a relatively wide supercooled liquid region before crystallization. SQUID investigated the magnetic properties and the entropy changes. The Curie temperature of Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} BMGs alloy was about 130 K, but the maximum magnetic entropy changes(-{delta}S{sub M}) showed at about 125 K, a little lower than the Curie temperature 130 K. The reason could probably be due to the presence of a little amount of nanocrystalline particles between amorphous phases. The BMG alloy has the characteristic of second-order transition (SOT) on Arrott plots. The results showed that the amorphous sample had a relatively improved magnetocaloric effect, indicating that the amorphous alloy could be considered as a candidate for magnetic refrigeration applications in the temperature interval range of 100-200 K.

Core losses of ring-shaped (Fe{sub 0.75}B{sub 0.20}Si{sub 0.05}){sub 96}Nb{sub 4} bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Bitoh, T; Ishikawa, T; Okumura, H, E-mail: teruo_bitoh@akita-pu.ac.jp [Department of Machine Intelligence and Systems Engineering, Faculty of Systems Science and Technology, Akita Prefectural University, Yurihonjo, 015-0055 (Japan)

2011-01-01

The soft magnetic properties of ring-shaped (Fe{sub 0.75}B{sub 0.20}Si{sub 0.05}){sub 96}Nb{sub 4} cast bulk metallic glass (BMG) with thickness of 0.3-1.0 mm have been investigated. The BMG specimens exhibit high relative permeability of (9-29)x10{sup 3} at 0.40 A/m and 50 Hz and low coercivity of 4.0 A/m. The core losses of the 0.3 mm thick BMG specimen are lower than those of commercial Fe-6.5 mass% Si steel (6.5Si) with the same thickness, and are comparable to those of the 0.10 mm thick 6.5Si. The low core losses of the BMG originate from the low coercivity and high electrical resistivity.

INSIGHTS ON THE STELLAR MASS-METALLICITY RELATION FROM THE CALIFA SURVEY

Energy Technology Data Exchange (ETDEWEB)

González Delgado, R. M.; García-Benito, R.; Pérez, E.; Cortijo-Ferrero, C.; López Fernández, R.; Sánchez, S. F. [Instituto de Astrofísica de Andalucía (CSIC), Glorieta de la Astronomía s/n, E-18008 Granada (Spain); Cid Fernandes, R.; De Amorim, A. L.; Lacerda, E. A. D.; Vale Asari, N. [Departamento de Física, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianópolis, SC (Brazil); Alves, J. [University of Vienna, Türkenschanzstrasse 17, A-1180 Vienna (Austria); Bland-Hawthorn, J. [Sydney Institute for Astronomy, The University of Sydney, NSW 2006 (Australia); Galbany, L. [Millennium Institute of Astrophysics and Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Gallazzi, A. [INAF—Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi 5, I-50125 Firenze (Italy); Husemann, B. [European Southern Observatory, Karl-Schwarzschild-Strasse 2, D-85748 Garching b. München (Germany); Bekeraite, S. [Leibniz-Institut für Astrophysik Potsdam, An der Sternwarte 16, D-14482 Potsdam (Germany); Jungwiert, B. [Astronomical Institute of the Academy of Sciences of the Czech Republic, v.v.i., Bocni II 1401, 14131 Prague (Czech Republic); López-Sánchez, A. R. [Australian Astronomical Observatory, P.O. Box 915, North Ryde, NSW 1670 (Australia); De Lorenzo-Cáceres, A. [School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews, KY16 9SS (United Kingdom); Marino, R. A. [CEI Campus Moncloa, UCM-UPM, Departamento de Astrofísica y CC. de la Atmósfera, Facultad de CC. Físicas, Universidad Complutense de Madrid, Avda. Complutense s/n, E-28040 Madrid (Spain); Collaboration: CALIFA collaboration920; and others

2014-08-10

We use spatially and temporally resolved maps of stellar population properties of 300 galaxies from the CALIFA integral field survey to investigate how the stellar metallicity (Z {sub *}) relates to the total stellar mass (M {sub *}) and the local mass surface density (μ{sub *}) in both spheroidal- and disk-dominated galaxies. The galaxies are shown to follow a clear stellar mass-metallicity relation (MZR) over the whole 10{sup 9}-10{sup 12} M {sub ☉} range. This relation is steeper than the one derived from nebular abundances, which is similar to the flatter stellar MZR derived when we consider only young stars. We also find a strong relation between the local values of μ{sub *} and Z {sub *} (the μZR), betraying the influence of local factors in determining Z {sub *}. This shows that both local (μ{sub *}-driven) and global (M {sub *}-driven) processes are important in determining metallicity in galaxies. We find that the overall balance between local and global effects varies with the location within a galaxy. In disks, μ{sub *} regulates Z {sub *}, producing a strong μZR whose amplitude is modulated by M {sub *}. In spheroids it is M {sub *} that dominates the physics of star formation and chemical enrichment, with μ{sub *} playing a minor, secondary role. These findings agree with our previous analysis of the star formation histories of CALIFA galaxies, which showed that mean stellar ages are mainly governed by surface density in galaxy disks and by total mass in spheroids.

Luminescence properties of Tb{sub 3}Al{sub 5}O{sub 12} garnet and related compounds synthesized by the metal organic decomposition method

Energy Technology Data Exchange (ETDEWEB)

Onishi, Yuya; Nakamura, Toshihiro, E-mail: tnakamura@gunma-u.ac.jp; Adachi, Sadao, E-mail: adachi@gunma-u.ac.jp

2017-03-15

The Tb–Al–O ternay compounds were prepared by the metal organic decompostion (MOD) method from mixted solutions of Al{sub 2}O{sub 3} and Tb{sub 4}O{sub 7} and subsequent calcination at T{sub c}=1200 °C in air. The structural and optical properties of the synthesized compounds were examined using X-ray diffraction analysis, photoluminescence (PL) analysis, PL excitation (PLE) spectroscopy, PL decay kinetics, and diffuse reflectance spetrosopy. The stoichiometric compounds of terbium aluminium garnet Tb{sub 3}Al{sub 5}O{sub 12} (TAG) and peroviskite-type TbAlO{sub 3} were synthesized at molar ratios of x=0.375 and 0.5 [x ≡Tb{sub 4}O{sub 7}/(Tb{sub 4}O{sub 7}+2Al{sub 2}O{sub 3})], together with the end-point binary materials of rhombohedral Al{sub 2}O{sub 3} (α-Al{sub 2}O{sub 3}; x=0) and cubic Tb{sub 4}O{sub 7} (x=1.0). One can also expect synthesis of stoichiometric compounds Tb{sub 4}Al{sub 2}O{sub 9} and Tb{sub 3}AlO{sub 12} at x=0.667 and 0.75, respectively; however, these compounds were found to be very difficult to synthesize by the MOD method or, probably by other methods. Temperature dependence of the PL spectra for TAG was measured from T=20–440 K in 10-K step and analyzed using a newly developed theoretical model. Raman scattering measurements were also performed on the Tb–Al–O material system with compositions widely varying from x=0 (α-Al{sub 2}O{sub 3}) to 1.0 (Tb{sub 4}O{sub 7}).

Improvement of the thermoplastic formability of Zr{sub 65}Cu{sub 17.5}Ni{sub 10}Al{sub 7.5} bulk metallic glass by minor addition of Erbium

Energy Technology Data Exchange (ETDEWEB)

Hu, Q. [Shenzhen Key Laboratory of Special Functional Materials, College of Materials Science and Engineering, Shenzhen 518060 (China); Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060 (China); Zeng, X.R., E-mail: zengxier@szu.edu.cn [Shenzhen Key Laboratory of Special Functional Materials, College of Materials Science and Engineering, Shenzhen 518060 (China); Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060 (China); JANUS Precision Components Co., LTD., Dongguan 523000 (China); Fu, M.W., E-mail: mmmwfu@polyu.edu.hk [Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China); Chen, S.S. [Shenzhen Key Laboratory of Special Functional Materials, College of Materials Science and Engineering, Shenzhen 518060 (China); Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060 (China); Jiang, J. [Institute of Applied Physics, Jiangxi Academy of Sciences, Nanchang 330029 (China)

2016-12-01

The softness of Zr{sub 65}Cu{sub 17.5}Ni{sub 10}Al{sub 7.5} bulk metallic glass (BMG) in the super-cooled liquid range (SCLR) is obviously improved by minor addition of 2% Er, which makes (Zr{sub 65}Cu{sub 17.5}Ni{sub 10}Al{sub 7.5}){sub 98}Er{sub 2} (Zr65Er2) to be a very formable Be-free Zr-based BMG. It is found the lower glass transition temperature of Zr65Er2 has an important contribution to the improvement of formability, which is contrary to the general understanding that the larger fragility and wider super-cooled liquid region (SCLR) are the major reasons for better thermoplastic formability. This finding is well explained by using the linear simplification of the SCLR in Angell plot. Zr65Er2 also has lower crystallization temperature and melting temperature, which is believed to be related to the formation of short-range ordering with lower transition energy rather than the composition shift to near eutectic. The above results help understand the effect of minor addition of rare-earth to the formability of Zr-based bulk metallic glasses.

An anti CuO{sub 2}-type metal hydride square net structure in Ln{sub 2}M{sub 2}As{sub 2}H{sub x} (Ln = La or Sm, M = Ti, V, Cr, or Mn)

Energy Technology Data Exchange (ETDEWEB)

Mizoguchi, Hiroshi; Park, SangWon; Hosono, Hideo [Tokyo Institute of Technology, Yokohama (Japan). Materials Research Center for Element Strategy; Hiraka, Haruhiro; Ikeda, Kazutaka; Otomo, Toshiya [High-Energy Accelerator Research Organization (KEK), Tsukuba (Japan). Inst. of Materials Structure Science

2015-03-02

Using a high pressure technique and the strong donating nature of H{sup -}, a new series of tetragonal La{sub 2}Fe{sub 2}Se{sub 2}O{sub 3}-type layered mixed-anion arsenides, Ln{sub 2}M{sub 2}As{sub 2}H{sub x}, was synthesized (Ln=La or Sm, M=Ti, V, Cr, or Mn; x∼3). In these compounds, an unusual M{sub 2}H square net, which has anti CuO{sub 2} square net structures accompanying two As{sup 3-} ions, is sandwiched by (LaH){sub 2} fluorite layers. Notably, strong metal-metal bonding with a distance of 2.80 Aa was confirmed in La{sub 2}Ti{sub 2}As{sub 2}H{sub 2.3}, which has metallic properties. In fact, these compounds are situated near the boundary between salt-like ionic hydrides and transition-metal hydrides with metallic characters.

Influence of strain and metal thickness on metal-MoS{sub 2} contacts

Energy Technology Data Exchange (ETDEWEB)

Saidi, Wissam A., E-mail: alsaidi@pitt.edu [Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261 (United States)

2014-09-07

MoS{sub 2} and other transition metal dichalcogenides are considered as potential materials in many applications including future electronics. A prerequisite for these applications is to understand the nature of the MoS{sub 2} contact with different metals. We use semi-local density functional theory in conjunction with dispersion corrections to study the heterostructures composed of Pd and Pt monolayers with (111) orientation grown pseudomorphically on MoS{sub 2}(001). The interface properties are mapped as a function of the number of deposited overlayers, as well as a function of tensile and compressive strains. Although we show that the dependence of the contacts on strain can be fully explained using the d-band model, we find that their evolution with the number of deposited metal layers is markedly different between Pd and Pt, and at variance with the d-band model. Specifically, the Pt/MoS{sub 2} heterostructures show an anomalous large stability with the deposition of two metal monolayers for all investigated strains, while Pd/MoS{sub 2} exhibits a similar behavior only for compressive strains. It is shown that the results can be rationalized by accounting for second-nearest-neighbor effect that couples MoS{sub 2} with the subsurface metal layers. The underpinnings of this behavior are attributed to the larger polarizability and cohesive energy of Pt compared to Pd, that leads to a larger charge-response in the subsurface layers.

Interactive effects of CO₂ and trace metals on the proteasome activity and cellular stress response of marine bivalves Crassostrea virginica and Mercenaria mercenaria

Energy Technology Data Exchange (ETDEWEB)

Götze, Sandra [Alfred Wegener Institute, Helmholtz Centre for Polar, Marine Research, Functional Ecology, 27570 Bremerhaven (Germany); Department of Biology, University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Matoo, Omera B. [Department of Biology, University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Beniash, Elia [Department of Oral Biology, University of Pittsburgh, Pittsburgh, PA (United States); Saborowski, Reinhard [Alfred Wegener Institute, Helmholtz Centre for Polar, Marine Research, Functional Ecology, 27570 Bremerhaven (Germany); Sokolova, Inna M., E-mail: isokolov@uncc.edu [Department of Biology, University of North Carolina at Charlotte, Charlotte, NC 28223 (United States)

2014-04-01

at all CO₂ levels. In contrast, trypsin- and caspase-like activities of the oyster proteasome were slightly inhibited by Cd exposure in normocapnia but this inhibition was reversed at elevated P<sub>CO₂>. Cu exposure inhibited the chymotrypsin-like activity of the oyster proteasome regardless of the exposure P<sub>CO₂> The effects of metal exposure on the proteasome activity were less pronounced in clams, likely due to the lower metal accumulation. However, the general trends (i.e. an increase during Cd exposure, inhibition during exposure to Cu, and overall stimulatory effects of elevated P<sub>CO₂> were similar to those found in oysters. Levels of mRNA for ubiquitin and tumor suppressor p53 were suppressed by metal exposures in normocapnia in both species but this effect was alleviated or reversed at elevated P<sub>CO₂>. Cellular energy status of oysters was maintained at all metal and CO₂ exposures, while in clams the simultaneous exposure to Cu and moderate hypercapnia (~800 μatm P<sub>CO₂> led to a decline in glycogen, ATP and ADP levels and an increase in AMP indicating energy deficiency. These data suggest that environmental CO₂ levels can modulate accumulation and physiological effects of metals in bivalves in a species-specific manner which can affect their fitness and survival during the global change in estuaries.

An anti CuO{sub 2}-type metal hydride square net structure in Ln{sub 2}M{sub 2}As{sub 2}H{sub x} (Ln = La or Sm, M = Ti, V, Cr, or Mn)

Energy Technology Data Exchange (ETDEWEB)

Mizoguchi, Hiroshi; Park, SangWon; Hosono, Hideo [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Hiraka, Haruhiro; Ikeda, Kazutaka; Otomo, Toshiya [Institute of Materials Structure Science, High-Energy Accelerator Research Organization (KEK), Tsukuba 305-0801 (Japan)

2015-03-02

Using a high pressure technique and the strong donating nature of H{sup -}, a new series of tetragonal La{sub 2}Fe{sub 2}Se{sub 2}O{sub 3}-type layered mixed-anion arsenides, Ln{sub 2}M{sub 2}As{sub 2}H{sub x}, was synthesized (Ln=La or Sm, M=Ti, V, Cr, or Mn; x∼3). In these compounds, an unusual M{sub 2}H square net, which has anti CuO{sub 2} square net structures accompanying two As{sup 3-} ions, is sandwiched by (LaH){sub 2} fluorite layers. Notably, strong metal-metal bonding with a distance of 2.80 Aa was confirmed in La{sub 2}Ti{sub 2}As{sub 2}H{sub 2.3}, which has metallic properties. In fact, these compounds are situated near the boundary between salt-like ionic hydrides and transition-metal hydrides with metallic characters. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Metal-insulator transition in SrTi{sub 1−x}V{sub x}O{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Gu, Man [Department of Physics, University of Virginia, 382 McCormick Rd., Charlottesville, Virginia 22904 (United States); Wolf, Stuart A. [Department of Physics, University of Virginia, 382 McCormick Rd., Charlottesville, Virginia 22904 (United States); Department of Materials Science and Engineering, University of Virginia, 395 McCormick Rd., Charlottesville, Virginia 22904 (United States); Lu, Jiwei [Department of Materials Science and Engineering, University of Virginia, 395 McCormick Rd., Charlottesville, Virginia 22904 (United States)

2013-11-25

Epitaxial SrTi{sub 1−x}V{sub x}O{sub 3} (0 ≤ x ≤ 1) thin films were grown on (001)-oriented (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.7} (LSAT) substrates using the pulsed electron-beam deposition technique. The transport study revealed a temperature driven metal-insulator transition (MIT) at 95 K for x = 0.67. The films with higher vanadium concentration (x > 0.67) were metallic corresponding to a Fermi liquid system. In the insulating phase (x < 0.67), the resistivity behavior was governed by Mott's variable range hopping mechanism. The possible mechanisms for the induced MIT are discussed, including the effects of electron correlation, lattice distortion, and Anderson localization.

Superconducting properties of GdBa{sub 2}Cu{sub 3}O{sub y} films by metal-organic deposition using new fluorine-free complex solutions

Energy Technology Data Exchange (ETDEWEB)

Nakamura, T. [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shizuoka University, Johoku 3-5-1, Hamamatsu, Shizuoka 432-8561 (Japan); Kita, R. [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shizuoka University, Johoku 3-5-1, Hamamatsu, Shizuoka 432-8561 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan)], E-mail: terkita@ipc.shizuoka.ac.jp; Miura, O. [Tokyo Metropolitan University, Minamiosawa 1-1, Hachioji, Tokyo 192-0364 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Ichinose, A. [CRIEPI, Nagasaka 2-6-1, Yokosuka, Kanagawa 240-0916 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Matsumoto, K. [Kyushu Institute of Techonology, Sensui-cho, Tobata-ku, Kitakyushu, Hukuoka 804-8550 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Yoshida, Y. [Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Mukaida, M. [Kyushu University, Hakozaki 6-10-1, Higashi-ku 4-3-16, Fukuoka 992-8510 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Horii, S. [University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8586 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan)

2008-09-15

GdBa{sub 2}Cu{sub 3}O{sub y} (GdBCO) films have been prepared on LaAlO{sub 3} single-crystal substrates by metal-organic deposition (MOD) using new fluorine-free complex solutions consisting of metal 2-ethylhexanates (2-EH) and metal naphthenates. The dispersion of T{sub c} values for GdBCO films improved by using a complex solution, rather than only a solution of metal naphthenates. c-axis oriented GdBCO films with flat surfaces were grown under lower calcining temperatures and higher firing temperatures than in the process using only metal naphthenates. The T{sub c} and J{sub c} of the GdBCO films were 91.2 K and 0.61 MA/cm{sup 2}, respectively, at 77 K at self-field.

Metallicity of Ca{sub 2}Cu{sub 6}P{sub 5} with single and double copper-pnictide layers

Energy Technology Data Exchange (ETDEWEB)

Li, Li, E-mail: lil2@ornl.gov [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Parker, David [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Chi, Miaofang [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Tsoi, Georgiy M.; Vohra, Yogesh K. [Department of Physics, University of Alabama at Birmingham, Birmingham, AL 35294 (United States); Sefat, Athena S., E-mail: sefata@ornl.gov [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

2016-06-25

We report thermodynamic and transport properties, and also theoretical calculations, for Cu-based compound Ca{sub 2}Cu{sub 6}P{sub 5} and compare with CaCu{sub 2-δ}P{sub 2}. Both materials have layers of edge-sharing copper pnictide tetrahedral CuP{sub 4}, similar to Fe–As and Fe–Se layers (with FeAs{sub 4}, FeSe{sub 4}) in the iron-based superconductors. Despite the presence of this similar transition-metal pnictide layer, we find that both Ca{sub 2}Cu{sub 6}P{sub 5} and CaCu{sub 2-δ}P{sub 2} have temperature-independent magnetic susceptibility and show metallic behavior with no evidence of either magnetic ordering or superconductivity down to 1.8 K CaCu{sub 2-δ}P{sub 2} is slightly off-stoichiometric, with δ = 0.14. Theoretical calculations suggest that unlike Fe 3d-based magnetic materials with a large density of states (DOS) at the Fermi surface, Cu have comparatively low DOS, with the majority of the 3d spectral weight located well below Fermi level. The room-temperature resistivity value of Ca{sub 2}Cu{sub 6}P{sub 5} is only 9 μΩ-cm, due to a substantial plasma frequency and an inferred electron-phonon coupling λ of 0.073 (significantly smaller than that of metallic Cu). Also, microscopy result shows that Cu–Cu distance along the c-axis within the double layers can be very short (2.5 Å), even shorter than metallic elemental copper bond (2.56 Å). The value of dρ/dT for CaCu{sub 2-δ}P{sub 2} at 300 K is approximately three times larger than in Ca{sub 2}Cu{sub 6}P{sub 5}, which suggests the likelihood of stronger electron-phonon coupling. This study shows that the details of Cu–P layers and bonding are important for their transport characteristics. In addition, it emphasizes the remarkable character of the DOS of ‘122’ iron-based materials, despite much structural similarities. - Highlights: • A comprehensive study on Cu-based compound Ca{sub 2}Cu{sub 6}P{sub 5} and compare with CaCu{sub 2-δ}P{sub 2}. • Both materials have layers of

Electronic and magnetic properties of 1T-HfS{sub 2} by doping transition-metal atoms

Energy Technology Data Exchange (ETDEWEB)

Zhao, Xu, E-mail: zhaoxu@htu.cn [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Wang, Tianxing; Wang, Guangtao [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Dai, Xianqi [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Department of Physics, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Xia, Congxin [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Yang, Lin [School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007 (China)

2016-10-15

Highlights: • Pristine 1T-HfS{sub 2} is a semiconductor with indirect gaps of 1.250 eV • Magnetism can be observed for V, Cr, Mn, Fe, Co, and Cu doping. • Strong p–d hybridization was found between TM 3d orbitals and S 3p orbitals. • V-doped 1T-HfS{sub 2} is ideal for spin injection. - Abstract: We explored the electronic and magnetic properties of 1T-HfS{sub 2} doped by transition metal (TM) atom using the first-principles calculation. We doped the transition metal atoms from the IIIB to VIB groups in nonmagnetic 1T-HfS{sub 2}. Numerical results show that the pristine 1T-HfS{sub 2} is a semiconductor with indirect gaps of 1.250 eV. Magnetism can be observed for V, Cr, Mn, Fe, Co, and Cu doping. The polarized charges mainly arise from the localized 3d electrons of the TM atom. The strong p–d hybridization was found between the 3d orbitals of TM and 3p orbitals of S. The substituted 1T-HfS{sub 2} can be a metal, semiconductor or half-metal. Analysis of the band structure and magnetic properties indicates that TM-doped HfS{sub 2} (TM = V, Fe, Cu) are promising systems to explore two-dimensional diluted magnetic semiconductors. The formation energy calculations also indicate that it is energetically favorable and relatively easier to incorporate transition metal atom into the HfS{sub 2} under S-rich experimental conditions. In contrast, V-doped HfS{sub 2} has relatively wide half-metallic gap and low formation energy. So V-doped 1T-HfS{sub 2} is ideal for spin injection, which is important for application in semiconductor spintronics.

Bad metal behaviour in the new Hg-rich amalgam KHg{sub 6} with polar metallic bonding

Energy Technology Data Exchange (ETDEWEB)

Tambornino, Frank; Hoch, Constantin, E-mail: constantin.hoch@cup.uni-muenchen.de

2015-01-05

Highlights: • The novel Hg-rich amalgam KHg{sub 6} was synthesised by electrocrystallisation. • The structure was investigated by single crystal and powder diffraction. • Thermal decomposition, electric resistance and magnetic susceptibiliy were examined. • Band structure, total and partial density of states and Bader charges were calculated. • Bad metal behaviour results from ionic, metallic and covalent bonding contributions. - Abstract: The new mercury-rich amalgam KHg{sub 6} crystallises with the BaHg{sub 6} structure type (orthorhombic, space group Pnma (No. 62), a = 13.394(9) Å, b = 5.270(3) Å, c = 10.463 Å). It was prepared by electrolysis of a solution of KI in N,N′-Dimethylformamide at 343 K at a reactive Hg cathode. The structure of KHg{sub 6} shows motifs of ionic packing, covalent Hg cluster formation and metallic properties. KHg{sub 6} decomposes peritectically at 443 K. The combination of alkali metals with a noble metal with moderate electron affinity results in the formation of polar metal–metal bonding with considerable but incomplete electron transfer from the electropositive to the electronegative sublattice, resulting in typical “bad metal behaviour”, illustrated by resistance and susceptibility measurements and quantum theoretical calculations.

Metal-organic framework templated synthesis of Fe{sub 2}O{sub 3}/TiO{sub 2} nanocomposite for hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Krafft, Kathryn E. de; Wang, Cheng; Lin, Wenbin [University of North Carolina, Chapel Hill, NC (United States). Department of Chemistry

2012-04-17

A new metal-organic framework (MOF)-templated method has been developed for the synthesis of a metal oxide nanocomposite with interesting photophysical properties. Fe-containing nanoscale MOFs are coated with amorphous titania, then calcined to produce crystalline Fe{sub 2}O{sub 3}/TiO{sub 2} composite nanoparticles. This material enables photocatalytic hydrogen production from water using visible light, which cannot be achieved by either Fe{sub 2}O{sub 3} or TiO{sub 2} alone or a mixture of the two. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Compression behavior of cellular metals with inhomogeneous mass distribution

International Nuclear Information System (INIS)

Foroughi, B.

2001-05-01

Mechanical behavior of two types of closed cell metals (ALULIGHT and ALPORAS) is investigated experimentally and numerically. Compressive tests performed on prismatic specimens indicate that inhomogeneities in the mass density distribution are a key factor in the deformation behavior of cellular metals. The three dimensional cellular structure of the investigated specimens is recorded using x-ray medical computed tomography (CT). A special procedure called density mapping method has been used to transfer the recorded CT data into a continuum by averaging over a certain domain (averaging domain). This continuum model is implemented using finite elements to study the effect of variations in local mass densities. The finite element model is performed by a simple regular discretization of a specimen's volume with elements which have constant edge length. Mechanical properties derived from compression tests of ALPORAS samples are assigned to the corresponding mesoscopic density value of each element. The effect of averaging domain size is studied to obtain a suitable dimension which fulfils the homogenization requirements and allows the evaluation of inhomogenities in the specimens. The formation and propagation of deformation band(s) and stress-strain responses of tested cellular metals are modeled with respect to their mass distribution. It is shown that the inhomogeneous density distribution leads to plastic strain localization and causes a monotonically increase of the stress in the plateau regime although no hardening response was considered for homogeneous material in this regime. The simulated plastic strain localization and the calculated stress-strain responses are compared with the experimental results. The stiffness values of experiment and simulation agree very well for both cellular materials. The values of plateau strength as well, but it differs in some cases of ALULIGHT samples, where the hardening response can be predicted at least qualitatively

Insights into magnetic interactions in a monodisperse Gd{sub 12}Fe{sub 14} metal cluster

Energy Technology Data Exchange (ETDEWEB)

Zheng, Xiu-Ying; Zhang, Hui; Liu, Pengxin; Du, Ming-Hao; Han, Ying-Zi; Wei, Rong-Jia; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun [Collaborative Innovation Center of Chemistry for Energy Materials, State Key Lab. of Physical Chemistry of Solid Surface and Dept. of Chemistry, College of Chemistry and Chemical Engineering, Xiamen Univ. (China); Wang, Zhenxing; Ouyang, Zhong-Wen [Wuhan National High Magnetic Field Center and School of Physics, Huazhong University of Science and Technology, Wuhan (China); Zhuang, Gui-Lin [College of Chemcal Engineering, Zhejiang University of Technology, Hangzhou (China)

2017-09-11

The largest Ln-Fe metal cluster [Gd{sub 12}Fe{sub 14}(μ{sub 3}-OH){sub 12}(μ{sub 4}-OH){sub 6}(μ{sub 4}-O){sub 12}(TEOA){sub 6}(CH{sub 3}COO){sub 16}(H{sub 2} O){sub 8}].(CH{sub 3}COO){sub 2}(CH{sub 3}CN){sub 2}.(H{sub 2}O){sub 20} (1) and the core-shell monodisperse metal cluster of 1 a rate at SiO{sub 2} (1 a=[Gd{sub 12}Fe{sub 14}(μ{sub 3}-OH){sub 12}(μ{sub 4}-OH){sub 6}(μ{sub 4}-O){sub 12}(TEOA){sub 6}(CH{sub 3}COO){sub 16} (H{sub 2}O){sub 8}]{sup 2+}) were prepared. Experimental and theoretical studies on the magnetic properties of 1 and 1 a rate at SiO{sub 2} reveal that encapsulation of one cluster into one silica nanosphere not only effectively decreases intermolecular magnetic interactions but also significantly increases the zero-field splitting effect of the outer layer Fe{sup 3+} ions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

[Effects of sub-micro emulsion composition on cellular disposition of incorporated lipophilic drug].

Science.gov (United States)

Sun, Xiao-Yi; Xiang, Zhi-Qiang; Wu, Shuo; Lv, Yuan-Yuan; Liang, Wen-Quan

2013-09-01

To investigate the effects of sub-micro emulsion composition on cellular uptake and disposition of incorporated lipophilic drug. Sub-micro emulsions containing 10 % oil, 1.2 % lecithin and 2.25 % glycerol were prepared, and the fluorescent agent coumarin 6 was used as a model drug. The effects of oil types, co-surfactants and cationic lipid on uptake and elimination kinetics of 6-coumarin in HeLa cells were studied. The uptake mechanism of sub-micro emulsions was further investigated. Oil type and Tweens had no influence on the cellular uptake. Modifications of surfactants with Span series increased the cellular influx, among which Span 20 with hydrophilic-lipophilic balance (HLB) value of 8.6 was the best enhancer. The intracellular drug level reached up to (46.09 ± 1.98)ng/μg protein which had significant difference with control group [(38.54 ± 0.34)ng/μg protein]. The positively charged emulsions significantly increased the uptake rate constant and elimination rate constant which were 4 times and 1.5 times of those in anionic groups, respectively. The uptake enhancement was also observed in cationic emulsions, cellular concentrations at plateau were (42.73 ± 0.84)ng/μg protein, which was about 3 times of that in anionic emulsions [(15.71 ± 0.74)ng/μg protein], when extracellular drug concentration kept at 100 ng/ml. Cationic emulsions delivered the payload mainly by direct drug transfer to contacted cells, while the negative ones depended on both drug passive diffusion and clathrin-mediated endocytosis of drug containing oil droplets which accounted for 20% of the intracellular drug. Interfacial characteristic of sub-micro emulsions such as co-surfactants HLB as well as zeta potentials can influence lipophilic drug both in cellular uptake and elimination.

Innovative cellular distance structures from polymeric and metallic threads

Science.gov (United States)

Wieczorek, F.; Trümper, W.; Cherif, C.

2017-10-01

Knitting allows a high individual adaptability of the geometry and properties of flat-knitted spacer fabrics. This offers advantages for the specific adjustment of the mechanical properties of innovative composites based on highly viscous matrix systems such as bone cement, elastomer or foam and cellular reinforcing structures made from e. g. polymeric monofilaments or metallic wires. The prerequisite is the availability of binding solutions for highly productive production of functional, cellular, self-stabilized spacer flat knitted fabrics as supporting and functionalized structures.

THE MASS-METALLICITY RELATION WITH THE DIRECT METHOD ON STACKED SPECTRA OF SDSS GALAXIES

Energy Technology Data Exchange (ETDEWEB)

Andrews, Brett H.; Martini, Paul, E-mail: andrews@astronomy.ohio-state.edu [Department of Astronomy, Ohio State University, 140 West 18th Avenue, Columbus, OH 43210 (United States)

2013-03-10

The relation between galaxy stellar mass and gas-phase metallicity is a sensitive diagnostic of the main processes that drive galaxy evolution, namely cosmological gas inflow, metal production in stars, and gas outflow via galactic winds. We employed the direct method to measure the metallicities of {approx}200,000 star-forming galaxies from the Sloan Digital Sky Survey that were stacked in bins of (1) stellar mass and (2) both stellar mass and star formation rate (SFR) to significantly enhance the signal-to-noise ratio of the weak [O III] {lambda}4363 and [O II] {lambda}{lambda}7320, 7330 auroral lines required to apply the direct method. These metallicity measurements span three decades in stellar mass from log(M{sub *}/M{sub Sun }) = 7.4-10.5, which allows the direct method mass-metallicity relation to simultaneously capture the high-mass turnover and extend a full decade lower in mass than previous studies that employed more uncertain strong line methods. The direct method mass-metallicity relation rises steeply at low mass (O/H {proportional_to} M{sub *} {sup 1/2}) until it turns over at log(M{sub *}/M{sub Sun }) = 8.9 and asymptotes to 12 + log(O/H) = 8.8 at high mass. The direct method mass-metallicity relation has a steeper slope, a lower turnover mass, and a factor of two to three greater dependence on SFR than strong line mass-metallicity relations. Furthermore, the SFR-dependence appears monotonic with stellar mass, unlike strong line mass-metallicity relations. We also measure the N/O abundance ratio, an important tracer of star formation history, and find the clear signature of primary and secondary nitrogen enrichment. N/O correlates tightly with oxygen abundance, and even more so with stellar mass.

Phonon dispersion of metallic glass CuZr{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Nakashima, S [Department of Condensed Matter Chemistry and Physics, Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan); Kawakita, Y [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan); Otomo, T [Japan Proton Accelerator Research Complex, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba 305-0801, Japan (Japan); Suenaga, R [Department of Condensed Matter Chemistry and Physics, Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan); Baron, A Q R [Materials Dynamics Laboratory, Harima RIKEN, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Tsutsui, S [Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan (Japan); Kohara, S [Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan (Japan); Takeda, S [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan); Itoh, K [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennnan-gun, Osaka 590-0494 (Japan); Kato, H [Institute for Material Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Fukunaga, T [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennnan-gun, Osaka 590-0494 (Japan); Hasegawa, M [Department of Materials, Physics and Energy Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, 464-8603 (Japan)

2007-12-15

Collective dynamics of metallic glass CuZr{sub 2} has been studied in the first pseudo Brillouin zone using high-resolution inelastic X-ray scattering. Acoustic-like longitudinal propagating excitations were observed and the dispersion relation was determined. In addition of longitudinal mode, transverse mode with half excitation energy contributes to medium energy-transfer region.

Half metallic ferromagnetism in tri-layered perovskites Sr{sub 4}T{sub 3}O{sub 10}(T = Co, Rh)

Energy Technology Data Exchange (ETDEWEB)

Ghimire, Madhav Prasad, E-mail: ghimire.mpg@gmail.com [Faculty of Science, Nepal Academy of Science and Technology, P. O. Box 3323, Khumaltar, Lalitpur (Nepal); International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba 305-0044 (Japan); Thapa, R. K.; Sandeep [Department of Physics, Mizoram University, Aizawl 796-004 (India); Rai, D. P. [Department of Physics, Pachhunga University College, Aizawl 796-001 (India); Sinha, T. P. [Department of Physics, Bose Institute, Kolkata 700-009 (India); Hu, Xiao [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba 305-0044 (Japan)

2015-02-14

First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr{sub 4}Rh{sub 3}O{sub 10}, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the co-operative effect of Coulomb interaction (U) and spin-orbit couplings (SOC), Sr{sub 4}Rh{sub 3}O{sub 10} is found to be a half metallic ferromagnet (HMF) with total magnetic moment μ{sub tot} = 12 μ{sub B} per unit cell. The material has almost 100% spin-polarization at the Fermi level despite of sizable SOC. Replacement of Rh atom by the isovalent Co atom is considered. Upon full-replacement of Co, a low-spin to intermediate spin transition happens resulting in a HMF state with the total magnetic moment three-time larger (i.e., μ{sub tot} = 36 μ{sub B} per unit cell), compared to Sr{sub 4}Rh{sub 3}O{sub 10}. We propose Sr{sub 4}Rh{sub 3}O{sub 10} and Sr{sub 4}Co{sub 3}O{sub 10} as candidates of half metals.

Dechlorination Reaction of Metal Chloride Wastes with Inorganic Composite (SiO{sub 2}-Al{sub 2}O{sub 3}- P{sub 2}O{sub 5}) at 650 .deg. C

Energy Technology Data Exchange (ETDEWEB)

Ahn, Soo Na; Park, Hwan Seo; Cho, In Hak; Kim, In Tae; Cho, Yong Zun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2011-05-15

Pyrochemical process to recover uranium and transuranic elements from the spent nuclear fuel indispensably generates radioactive metal chlorides waste containing fission products. These wastes are difficult to solidify and stabilize by conventional method due to their volatility and low comparability with silicate glass. Our research group is under development of dechlorination method to remove Clinduced problems. For dechlorination of metal chloride waste, an inorganic composite, SiO{sub 2}-Al{sub 2}O{sub 3}-P{sub 2}O{sub 5} (SAP), has been investigated as dechlorination agent. The composite reacts with metal chloride to produce aluminosilicates, alumino phosphate and orthophosphate. The products are thermally stable up to 1200 .deg. C and compatible with silicate glass. In this study, modified SAP containing Fe{sub 2}O{sub 3} as another component was investigated to enhance the dechlorination reaction and characterize the reaction behavior of LiCl

PM - processing for manufacturing of metals with cellular structures

International Nuclear Information System (INIS)

Strobl, S.; Danninger, H.

2001-01-01

In this review the major Processes about manufacturing of metals with cellular structure are described - based on powder metallurgy, chemical deposition and some other methods (without melting techniques). It can be shown that during the last decade many interesting innovations led to new production methods to design cellular materials. Some of them are used nowadays in industry. Also characterization and properties become more important and have therefore been carried out carefully, because of their strong influence on the functions and applications of such materials. (author)

X-ray spectroscopic characterization of Co(IV) and metal–metal interactions in Co<sub>4sub>O>4sub>: Electronic structure contributions to the formation of high-valent states relevant to the oxygen evolution reaction

Energy Technology Data Exchange (ETDEWEB)

Hadt, Ryan G.; Hayes, Dugan; Brodsky, Casey N.; Ullman, Andrew M.; Casa, Diego M.; Upton, Mary H.; Nocera, Daniel G; Chen, Lin X.

2016-08-12

In this paper, the formation of high-valent states is a key factor in making highly active transition metal-based catalysts of the oxygen-evolving reaction (OER). These high oxidation states will be strongly influenced by the local geometric and electronic structures of the metal ion, which is difficult to study due to spectroscopically active and complex backgrounds, short lifetimes, and limited concentrations. Here, we use a wide range of complementary X-ray spectroscopies coupled to DFT calculations to study Co<sub>4sub>O>4sub> cubanes, which provide insight into the high-valent Co(IV) centers responsible for the activity of molecular and heterogeneous OER catalysts. The combination of X-ray absorption and 1s3p resonant inelastic X-ray scattering (Kβ RIXS) allow Co(IV) to be isolated and studied against a spectroscopically active Co(III) background. Co K- and L-edge X-ray absorption data allow for a detailed characterization of the 3d-manifold of effectively localized Co(IV) centers and provide a direct handle on the ligand field environment and covalency of the t<sub>2gsub>-based redox active molecular orbital. Kβ RIXS is also shown to provide a powerful probe of Co(IV), and specific spectral features are sensitive to the degree of oxo-mediated metal-metal coupling across Co<sub>4sub>O>4sub>. Guided by the data, calculations show electron-hole delocalization can actually oppose Co(IV) formation. Computational extension of Co<sub>4sub>O>4sub> to CoM<sub>3sub>O>4sub> structures (M = redox-inactive metal) defines electronic structure contri-butions to Co(IV) formation. Redox activity is shown to be linearly related to covalency, and M(III) oxo inductive effects on Co(IV) oxo bonding can tune the covalency of high-valent sites over a large range and thereby tune E⁰ over hundreds of mVs.

Mechanical behavior of Fe{sub 75}Mo{sub 5}P{sub 10}C{sub 7.5}B{sub 2.5} bulk-metallic glass under torsional loading

Energy Technology Data Exchange (ETDEWEB)

Zhang Xinjian [School of Chemical Engineering and Technology, Tianjin University, 92 Weijin Road, Tianjin 300072 (China); Huang Lu [Department of Materials Science and Engineering, University of Tennessee, TN 37996 (United States); Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Chen Xu, E-mail: xchen@tju.edu.cn [School of Chemical Engineering and Technology, Tianjin University, 92 Weijin Road, Tianjin 300072 (China); Liaw, Peter K. [Department of Materials Science and Engineering, University of Tennessee, TN 37996 (United States); An Ke [Neutron Scattering Sciences Division, Oak Ridge National Laboratory, TN 37831 (United States); Zhang Tao [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Wang Gongyao [Department of Materials Science and Engineering, University of Tennessee, TN 37996 (United States)

2010-11-15

Research highlights: {yields} Fe{sub 75}Mo{sub 5}P{sub 10}C{sub 7.5}B{sub 2.5} bulk-metallic glass exhibits a brittle characteristic under torsional loading. {yields} The BMG occurs in a tensile mode failure under torsional loading. {yields} A slight cyclic-hardening behavior was observed in the initial loading cycles during torsional-fatigue tests. {yields} The torsional fatigue-fracture surface consists of three main regions. - Abstract: Pure- and cyclic-torsional studies were conducted on a Fe{sub 75}Mo{sub 5}P{sub 10}C{sub 7.5}B{sub 2.5} (atomic percent, at.%) bulk-metallic glass at room temperature for an understanding of its damage and fracture mechanisms. Under pure-torsional loading, the metallic glass exhibited very little plastic strain before fracture. The fracture initiated along the maximum tensile-stress plane, which is about 45{sup o} to the axial direction. The shear-fracture strength ({approx}510 MPa) is much lower than the compressive-fracture strength ({approx}3280 MPa), which suggests that different deformation mechanisms be present under various loading modes. Instead of an apparent vein-type structure, the fracture morphologies revealed a crack-initiation site, a mirror region, a mist region, and a hackle region. Under cyclic-torsional loading, fatigue cracks initiated from casting defects, and propagate generally along the maximum tensile-stress plane. A slight cyclic-hardening behavior was observed in initial loading steps. The fatigue-fracture surface consists of three main regions: the fatigue crack-initiation, crack-propagation, and final-fast-fracture areas. The striations resulting from the blunting and re-sharpening of the fatigue crack tip were observed in the crack-propagation region. Based on these results, the damage and fracture mechanisms of the metallic glass induced by torsional loadings are elucidated.

THE METALLICITY DEPENDENCE OF THE CO {yields} H{sub 2} CONVERSION FACTOR IN z {>=} 1 STAR-FORMING GALAXIES

Energy Technology Data Exchange (ETDEWEB)

Genzel, R.; Tacconi, L. J.; Schreiber, N. M. Foerster; Gracia-Carpio, J.; Lutz, D.; Saintonge, A. [Max-Planck-Institut fuer extraterrestrische Physik (MPE), Giessenbachstr. 1, 85748 Garching (Germany); Combes, F. [Observatoire de Paris, LERMA, CNRS, 61 Av. de l' Observatoire, F-75014 Paris (France); Bolatto, A. [Department of Astronomy, University of Maryland, College Park, MD 20742-2421 (United States); Neri, R.; Cox, P. [IRAM, 300 Rue de la Piscine, 38406 St. Martin d' Heres, Grenoble (France); Sternberg, A. [Sackler School of Physics and Astronomy, Tel Aviv University, Tel Aviv 69978 (Israel); Cooper, M. C. [Department of Physics and Astronomy, Frederick Reines Hall, University of California, Irvine, CA 92697-4575 (United States); Bouche, N. [Department of Physics, University of California, Santa Barbara, Broida Hall, Santa Barbara, CA 93106 (United States); Bournaud, F. [Service d' Astrophysique, DAPNIA, CEA/Saclay, F-91191 Gif-sur-Yvette Cedex (France); Burkert, A. [Universitaetssternwarte der Ludwig-Maximiliansuniversitaet, Scheinerstr. 1, D-81679 Muenchen (Germany); Comerford, J. [Department of Astronomy and McDonald Observatory, 1 University Station, C1402 Austin, TX 78712-0259 (United States); Davis, M.; Newman, S. [Department of Astronomy, Campbell Hall, University of California, Berkeley, CA 94720 (United States); Garcia-Burillo, S. [Observatorio Astronomico Nacional-OAN, Apartado 1143, 28800 Alcala de Henares- Madrid (Spain); Naab, T., E-mail: genzel@mpe.mpg.de, E-mail: linda@mpe.mpg.de [Max-Planck Institut fuer Astrophysik (MPA), Karl Schwarzschildstrasse 1, D-85748 Garching (Germany); and others

2012-02-10

We use the first systematic samples of CO millimeter emission in z {>=} 1 'main-sequence' star-forming galaxies to study the metallicity dependence of the conversion factor {alpha}{sub CO,} from CO line luminosity to molecular gas mass. The molecular gas depletion rate inferred from the ratio of the star formation rate (SFR) to CO luminosity, is {approx}1 Gyr{sup -1} for near-solar metallicity galaxies with stellar masses above M{sub S} {approx} 10{sup 11} M{sub Sun }. In this regime, the depletion rate does not vary more than a factor of two to three as a function of molecular gas surface density or redshift between z {approx} 0 and 2. Below M{sub S} the depletion rate increases rapidly with decreasing metallicity. We argue that this trend is not caused by starburst events, by changes in the physical parameters of the molecular clouds, or by the impact of the fundamental-metallicity-SFR-stellar mass relation. A more probable explanation is that the conversion factor is metallicity dependent and that star formation can occur in 'CO-dark' gas. The trend is also expected theoretically from the effect of enhanced photodissociation of CO by ultraviolet radiation at low metallicity. From the available z {approx} 0 and z {approx} 1-3 samples we constrain the slope of the log({alpha}{sub CO})-log (metallicity) relation to range between -1 and -2, fairly insensitive to the assumed slope of the gas-SFR relation. Because of the lower metallicities near the peak of the galaxy formation activity at z {approx} 1-2 compared to z {approx} 0, we suggest that molecular gas masses estimated from CO luminosities have to be substantially corrected upward for galaxies below M{sub S}.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-11-15

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

The Gd{sub 14}Ag{sub 51} structure type and its relation to some complex amalgam structures

Energy Technology Data Exchange (ETDEWEB)

Tambornino, Frank; Sappl, Jonathan; Hoch, Constantin, E-mail: constantin.hoch@cup.uni-muenchen.de

2015-01-05

Highlights: • The Gd{sub 14}Ag{sub 51} structure type has been revisited on the basis of single crystal diffraction data. • Symmetry analysis from electron density and TEM shows the space group P6/m to be true. • Gd{sub 14}Ag{sub 51} shows good metallic behaviour. • Structure relations to alkali, alkaline-earth and rare-earth metal amalgams can be established. • Complexity values for the RE{sub 14}Ag{sub 51} structure family were calculated. - Abstract: A plethora of binary and ternary intermetallic compounds has been assigned to the Gd{sub 14}Ag{sub 51} structure type, crystallising in the hexagonal system (space group P6/m, a = 1264.30(18) pm, c = 933.58(11) pm for Gd{sub 14}Ag{sub 51}). Starting in the late 1960s, much work has been invested in the structural elucidation of these crystal structures. However, reliable single crystal data are scarce, and most structure type assignments have been performed merely on the basis of powder data. We have redetermined four representatives of the binary RE{sub 14}Ag{sub 51} structure type (RE = Y, Ce, Gd, Tb) with modern high-precision single crystal X-ray methods. The assignment of the Gd{sub 14}Ag{sub 51} structure type to space group P6/m was additionally verified by careful analysis of high resolution transmission electron micrographs. We emphasise the close relation of the Gd{sub 14}Ag{sub 51} structure type to the structures of some recently described amalgams of similar composition focussing on disorder phenomena and structural complexity. Furthermore, we provide detailed information on synthesis as well as electrical and magnetic properties for Gd{sub 14}Ag{sub 51}, the parent compound of this structure family.

Implications of the dwarfs spheroidal galaxy mass-metallicity relation

International Nuclear Information System (INIS)

Smith, G.H.

1985-01-01

The properties of the mass-metallicity relation among dwarf spheroidal galaxies are discussed in terms of a model which assumes that the internal chemical evolution of the dwarf spheroidals was promoted by supernova activity. The model can be used to explain the observed dwarf spheroidal mass-metallicity relation assuming the present mass of these systems M sub s is proportional to their initial masses M as M sub s varies according to a power-law index of exp 7/4. It is inferred from the power-law dependence of M on the proto-cloud radius that the most massive dwarf spheroids were formed from the densest clouds. The observed slope of the mass-metallicity relation for dwarf spheroidal galaxies is found to be significantly different from theoretical estimates of this slope for elliptical galaxies. It is suggested that the difference may imply that spheroidal dwarfs and elliptical galaxies had different formation histories, confirming Kormendy's (1985) observations of differences in the brightness and luminosity trends. 54 references

Sub-cellular distribution and translocation of TRP channels.

Science.gov (United States)

Toro, Carlos A; Arias, Luis A; Brauchi, Sebastian

2011-01-01

Cellular electrical activity is the result of a highly complex processes that involve the activation of ion channel proteins. Ion channels make pores on cell membranes that rapidly transit between conductive and non-conductive states, allowing different ions to flow down their electrochemical gradients across cell membranes. In the case of neuronal cells, ion channel activity orchestrates action potentials traveling through axons, enabling electrical communication between cells in distant parts of the body. Somatic sensation -our ability to feel touch, temperature and noxious stimuli- require ion channels able to sense and respond to our peripheral environment. Sensory integration involves the summing of various environmental cues and their conversion into electrical signals. Members of the Transient Receptor Potential (TRP) family of ion channels have emerged as important mediators of both cellular sensing and sensory integration. The regulation of the spatial and temporal distribution of membrane receptors is recognized as an important mechanism for controlling the magnitude of the cellular response and the time scale on which cellular signaling occurs. Several studies have shown that this mechanism is also used by TRP channels to modulate cellular response and ultimately fulfill their physiological function as sensors. However, the inner-working of this mode of control for TRP channels remains poorly understood. The question of whether TRPs intrinsically regulate their own vesicular trafficking or weather the dynamic regulation of TRP channel residence on the cell surface is caused by extrinsic changes in the rates of vesicle insertion or retrieval remain open. This review will examine the evidence that sub-cellular redistribution of TRP channels plays an important role in regulating their activity and explore the mechanisms that control the trafficking of vesicles containing TRP channels.

The competing oxide and sub-oxide formation in metal-oxide molecular beam epitaxy

International Nuclear Information System (INIS)

Vogt, Patrick; Bierwagen, Oliver

2015-01-01

The hetero-epitaxial growth of the n-type semiconducting oxides β-Ga 2 O 3 , In 2 O 3 , and SnO 2 on c- and r-plane sapphire was performed by plasma-assisted molecular beam epitaxy. The growth-rate and desorbing flux from the substrate were measured in-situ under various oxygen to metal ratios by laser reflectometry and quadrupole mass spectrometry, respectively. These measurements clarified the role of volatile sub-oxide formation (Ga 2 O, In 2 O, and SnO) during growth, the sub-oxide stoichiometry, and the efficiency of oxide formation for the three oxides. As a result, the formation of the sub-oxides decreased the growth-rate under metal-rich growth conditions and resulted in etching of the oxide film by supplying only metal flux. The flux ratio for the exclusive formation of the sub-oxide (e.g., the p-type semiconductor SnO) was determined, and the efficiency of oxide formation was found to be the highest for SnO 2 , somewhat lower for In 2 O 3 , and the lowest for Ga 2 O 3 . Our findings can be generalized to further oxides that possess related sub-oxides

Quasi-adiabatic Switching for Metal-Island Quantum-dot Cellular Automata

OpenAIRE

Toth, Geza; Lent, Craig S.

2000-01-01

Recent experiments have demonstrated a working cell suitable for implementing the Quantum-dot Cellular Automata (QCA) paradigm. These experiments have been performed using metal island clusters. The most promising approach to QCA operation involves quasi-adiabatically switching the cells. This has been analyzed extensively in gated semiconductor cells. Here we present a metal island cell structure that makes quasi-adiabatic switching possible. We show how this permits quasi-adiabatic clocking...

Direct speciation analysis of arsenic in sub-cellular compartments using micro-X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Bacquart, Thomas; Deves, Guillaume; Ortega, Richard

2010-01-01

Identification of arsenic chemical species at a sub-cellular level is a key to understanding the mechanisms involved in arsenic toxicology and antitumor pharmacology. When performed with a microbeam, X-ray absorption near-edge structure (μ-XANES) enables the direct speciation analysis of arsenic in sub-cellular compartments avoiding cell fractionation and other preparation steps that might modify the chemical species. This methodology couples tracking of cellular organelles in a single cell by confocal or epifluorescence microscopy with local analysis of chemical species by μ-XANES. Here we report the results obtained with a μ-XANES experimental setup based on Kirkpatrick-Baez X-ray focusing optics that maintains high flux of incoming radiation (>10 11 ph/s) at micrometric spatial resolution (1.5x4.0 μm 2 ). This original experimental setup enabled the direct speciation analysis of arsenic in sub-cellular organelles with a 10 -15 g detection limit. μ-XANES shows that inorganic arsenite, As(OH) 3 , is the main form of arsenic in the cytosol, nucleus, and mitochondrial network of cultured cancer cells exposed to As 2 O 3 . On the other hand, a predominance of As(III) species is observed in HepG2 cells exposed to As(OH) 3 with, in some cases, oxidation to a pentavalent form in nuclear structures of HepG2 cells. The observation of intra-nuclear mixed redox states suggests an inter-individual variability in a cell population that can only be evidenced with direct sub-cellular speciation analysis.

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-06-15

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

Prediction of half-metallic properties in TlCrS{sub 2} and TlCrSe{sub 2} based on density functional theory

Energy Technology Data Exchange (ETDEWEB)

Hashimzade, F.M.; Huseinova, D.A. [Institute of Physics, National Academy of Sciences of Azerbaijan, AZ 1143 Baku (Azerbaijan); Jahangirli, Z.A. [Institute of Physics, National Academy of Sciences of Azerbaijan, AZ 1143 Baku (Azerbaijan); Institute of Radiation Problems, National Academy of Sciences of Azerbaijan, AZ 1143 Baku (Azerbaijan); Mehdiyev, B.H., E-mail: bachschi@yahoo.de [Institute of Physics, National Academy of Sciences of Azerbaijan, AZ 1143 Baku (Azerbaijan)

2017-08-01

Highlights: • Half-metallic properties of TlCrS2, TlCrSe2 and hypothetical TlCrSSe have been investigated by first-principles all-electron full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT). • Total magnetic moment keeps its integer value on a relatively wide range of changes in volume (−10% ÷ 10%) for TlCrS2 and TlCrSSe, while total magnetic moment TlCrSe2 decreases with increasing volume, approaching to integer value 3 μB. • The states at the Fermi level in the case of spin-up channel consist of a hybridization of p-states of the atom S(Se) with d-states of Cr. - Abstract: Half-metallic properties of TlCrS{sub 2}, TlCrSe{sub 2} and hypothetical TlCrSSe have been investigated by first-principles all-electron full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT). The results of calculations show that TlCrS{sub 2} and TlCrSSe are half-metals with energy gap (E{sub g}) ∼0.12 eV for spin-down channel. Strong hybridization of p-state of chalchogen and d-state of Cr leads to bonding and antibonding states and subsequently to the appearance of a gap in spin-down channel of TlCrS{sub 2} and TlCrSSe. In the case of TlCrSe{sub 2}, there is a partial hybridization and p-state is partially present in the DOS at Fermi level making this compound nearly half-metallic. The present calculations revealed that total magnetic moment keeps its integer value on a relatively wide range of changes in volume (−10% ÷ 10%) for TlCrS{sub 2} and TlCrSSe, while total magnetic moment of TlCrSe{sub 2} decreases with increasing volume approaching to integer value 3 μB.

Complex transition metal hydrides incorporating ionic hydrogen: Synthesis and characterization of Na{sub 2}Mg{sub 2}FeH{sub 8} and Na{sub 2}Mg{sub 2}RuH{sub 8}

Energy Technology Data Exchange (ETDEWEB)

Humphries, Terry D., E-mail: terry_humphries81@hotmail.com [WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Takagi, Shigeyuki; Li, Guanqiao; Matsuo, Motoaki; Sato, Toyoto [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Sørby, Magnus H.; Deledda, Stefano; Hauback, Bjørn C. [Physics Department, Institute for Energy Technology, Kjeller NO-2027 (Norway); Orimo, Shin-ichi [WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

2015-10-05

Highlights: • Structures of Na{sub 2}Mg{sub 2}FeH{sub 8} and Na{sub 2}Mg{sub 2}RuH{sub 8} have been determined by XRD and PND. • Compounds incorporate independently coordinated ionic and covalent hydrogen. • [TH{sub 6}]{sup 4−} anion is surrounded by a cubic array of four Mg{sup 2+} and four Na{sup +} cations. • H{sup −} anions are octahedrally coordinated by four Na{sup +} and two Mg{sup 2+} cations. • Vibrational modes of the H{sup −} anions and complex hydride anion are observed. - Abstract: A new class of quaternary complex transition metal hydrides (Na{sub 2}Mg{sub 2}TH{sub 8} (T = Fe, Ru)) have been synthesized and their structures determined by combined synchrotron radiation X-ray and powder neutron diffraction. The compounds can be considered as a link between ionic and complex hydrides in terms of incorporating independently coordinated ionic and covalent hydrogen. These novel isostructural complex transition metal hydrides crystallize in the orthorhombic space group Pbam, where the octahedral complex hydride anion is surrounded by a cubic array of four Mg{sup 2+} and four Na{sup +} cations, forming distinct two-dimensional layers. An intriguing feature of these materials is the distorted octahedral coordination of the isolated H{sup −} anions by four Na{sup +} and two Mg{sup 2+} cations, which form layers between the transition metal containing layers. The vibrational modes of the H{sup −} anions and complex hydride anion are independently observed for the first time in a quaternary complex transition metal hydride system by Raman and IR spectroscopy.

Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs)

Energy Technology Data Exchange (ETDEWEB)

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

2015-01-15

Three new isostructural quaternary antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) have been synthesized by using alkali metal thiosulfate flux and structurally characterized by X-ray diffraction. Their structures contain A{sup +} ions around the [Sb{sub 2}Sn{sub 3}S{sub 10}]{sup 2−} chains, which are built from SbS{sub 3} pyramids, SnS{sub 6} octahedra and SnS{sub 4} tetrahedra. Raman and Mössbauer spectroscopic measurements corroborate the oxidation states and coordination environments of Sb(III) and Sn(IV). All three compounds are wide band gap semiconductors. Potassium compound undergoes partial exchange with strontium, cadmium and lead ions. - Graphical abstract: Syntheses, crystal structure, spectroscopic and partial ion-exchange studies of new one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) are described. - Highlights: • Syntheses of new alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs). • Wide band gap semiconductors with one-dimensional structure. • Topotactic partial exchange of K{sup +} ions of K{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} with Sr{sup 2+}, Cd{sup 2+} and Pb{sup 2+} ions.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-02-15

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

Ammonothermal synthesis of alkali-alkaline earth metal and alkali-rare earth metal carbodiimides. K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}

Energy Technology Data Exchange (ETDEWEB)

Mallmann, Mathias; Haeusler, Jonas; Cordes, Niklas; Schnick, Wolfgang [Department of Chemistry, University of Munich (LMU) (Germany)

2017-12-13

Alkali-alkaline earth metal and alkali-rare earth metal carbodiimides, namely K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (x = 0 - 1) (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}, were synthesized under ammonothermal conditions in high-pressure autoclaves. The structures of the three compounds can be derived from homeotypic K{sub 5}H(CN{sub 2}){sub 3} and Na{sub 5}H(CN{sub 2}){sub 3} by partial substitution of K{sup +} or Na{sup +}by Sr{sup 2+} or Eu{sup 2+}. The reactions were carried out in two step syntheses (T{sub 1} = 673 K, T{sub 2} = 823 K) starting from sodium or potassium azide, dicyandiamide and strontium or Eu(NH{sub 2}){sub 2}, respectively. The crystal structures were solved and refined from single-crystal X-ray diffraction data [K{sub 4.16}Sr{sub 0.84}(CN{sub 2}){sub 2.84}(HCN{sub 2}){sub 0.16}: space group Im3m (no. 229), a = 7.8304(5) Aa, Z = 2, R{sub 1} = 0.024, wR{sub 2} = 0.052; K{sub 4.40}Eu{sub 0.60}(CN{sub 2}){sub 2.60}(HCN{sub 2}){sub 0.40}: space group Im anti 3m (no. 229), a = 7.8502(6) Aa, Z = 2, R{sub 1} = 0.022, wR{sub 2} = 0.049]. In contrast to the potassium carbodiimides, the sodium-strontium carbodiimide was only synthesized as microcrystalline powder. The crystal structure was determined by powder X-ray diffraction and refined by the Rietveld method [Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}: space group Im3m (no. 229), a = 7.2412(1) Aa, Z = 2, R{sub wp} = 0.050]. The presence of hydrogencyanamide units ([HNCN]{sup -}) next to carbodiimide units ([CN{sub 2}]{sup 2-}) in all compounds was confirmed by FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Combined phase and X-Ray fluorescence imaging at the sub-cellular level

International Nuclear Information System (INIS)

Kosior, Ewelina

2013-01-01

This work presents some recent developments in the field of hard X-ray imaging applied to biomedical research. As the discipline is evolving quickly, new questions appear and the list of needs becomes bigger. Some of them are dealt with in this manuscript. It has been shown that the ID22NI beamline of the ESRF can serve as a proper experimental setup to investigate diverse aspects of cellular research. Together with its high spatial resolution, high flux and high energy range the experimental setup provides bigger field of view, is less sensitive to radiation damages (while taking phase contrast images) and suits well chemical analysis with emphasis on endogenous metals (Zn, Fe, Mn) but also with a possibility for exogenous one's like these found in nanoparticles (Au, Pt, Ag) study. Two synchrotron-based imaging techniques, fluorescence and phase contrast imaging were used in this research project. They were correlated with each other on a number of biological cases, from bacteria E.coli to various cells (HEK 293, PC12, MRC5VA, red blood cells). The explorations made in the chapter 5 allowed preparation of more established and detailed analysis, described in the next chapter where both techniques, X-ray fluorescence and phase contrast imaging, were exploited in order to access absolute metal projected mass fraction in a whole cell. The final image presents for the first time true quantitative information at the sub-cellular level, not biased by the cell thickness. Thus for the first time a fluorescence map serves as a complete quantitative image of a cell without any risk of misinterpretation. Once both maps are divided by each other pixel by pixel (fluorescence map divided by the phase map) they present a complete and final result of the metal (Zn in this work) projected mass fraction in ppm of dry weight. For the purpose of this calculation the analysis was extended to calibration (non-biological) samples. Polystyrene spheres of a known diameter and known

Decomposition of SnH{sub 4} molecules on metal and metal–oxide surfaces

Energy Technology Data Exchange (ETDEWEB)

Ugur, D. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Storm, A.J.; Verberk, R. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Brouwer, J.C. [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Sloof, W.G., E-mail: w.g.sloof@tudelft.nl [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands)

2014-01-01

Atomic hydrogen cleaning is a promising method for EUV lithography systems, to recover from surface oxidation and to remove carbon and tin contaminants. Earlier studies showed, however, that tin may redeposit on nearby surfaces due to SnH{sub 4} decomposition. This phenomenon of SnH{sub 4} decomposition during tin cleaning has been quantified for various metallic and metal-oxide surfaces using X-ray photoelectron spectroscopy (XPS). It was observed that the metal oxide surfaces (TiO{sub 2} and ZrO{sub 2}) were significantly less contaminated than metallic surfaces. Tin contamination due to SnH{sub 4} decomposition can thus be reduced or even mitigated by application of a suitable metal-oxide coating.

Bioaccessibility of selected trace metals in urban PM{sub 2.5} and PM{sub 10} samples: a model study

Energy Technology Data Exchange (ETDEWEB)

Falta, Thomas; Koellensperger, Gunda; Hann, Stephan [University of Natural Resources and Applied Life Sciences, Division of Analytical Chemistry, Vienna (Austria); Limbeck, Andreas [Vienna University of Technology, Institute of Chemical Technologies and Analytics, Vienna (Austria)

2008-02-15

Bioaccessibility of trace metals originating from urban particulate matter was assessed in a worst case scenario to evaluate the uptake and thus the hazardous potential of these metals via gastric juice. Sampling was performed over a period of about two months at the Getreidemarkt in downtown Vienna. Concentrations of the assayed trace metals (Ti, Cr, Mn, Co, Ni, Cu, Zn, Mo, Ag, Cd, Sn, Sb, Tl and Pb) were determined in PM{sub 2.5} and PM{sub 10} samples by ICP-MS. The metal concentrations in sampled air were in the low picogram to high nanogram per cubic metre range. The concentrations in PM{sub 2.5} samples were generally lower than those in PM{sub 10} samples. The average daily intake of these metals by inhalation for a healthy adult was estimated to be in the range of <1 ng (Tl) to >1,000 ng (Zn). To estimate the accessibility of the inhaled and subsequently ingested metals (i.e. after lung clearance had taken place) in the size range from 2.5- to 10-{mu}m aerodynamic equivalent diameter, a batch-extraction with synthetic gastric juice was performed. The data were used to calculate the bioaccessibility of the investigated trace metals. Extractable fractions ranged from 2.10% (Ti in PM{sub 2.5}) to 91.0% (Cd in PM{sub 2.5}), thus yielding bioaccessible fractions (PM{sub 2.5-10}) from 0.16 ng (Ag) to 178 ng (Cu). (orig.)

Cellular content of biomolecules in sub-seafloor microbial communities

DEFF Research Database (Denmark)

Braun, Stefan; Morono, Yuki; Becker, Kevin W.

2016-01-01

the lifetime of their microbial sources. Here we provide for the first time measurements of the cellular content of biomolecules in sedimentary microbial cells. We separated intact cells from sediment matrices in samples from surficial, deeply buried, organic-rich, and organic-lean marine sediments by density...... content. We find that the cellular content of biomolecules in the marine subsurface is up to four times lower than previous estimates. Our approach will facilitate and improve the use of biomolecules as proxies for microbial abundance in environmental samples and ultimately provide better global estimates......Microbial biomolecules, typically from the cell envelope, can provide crucial information about distribution, activity, and adaptations of sub-seafloor microbial communities. However, when cells die these molecules can be preserved in the sediment on timescales that are likely longer than...

Voltage linearity modulation and polarity dependent conduction in metal-insulator-metal capacitors with atomic-layer-deposited Al{sub 2}O{sub 3}/ZrO{sub 2}/SiO{sub 2} nano-stacks

Energy Technology Data Exchange (ETDEWEB)

Zhu, Bao; Liu, Wen-Jun; Wei, Lei; Zhang, David Wei; Jiang, Anquan; Ding, Shi-Jin, E-mail: sjding@fudan.edu.cn [State Key Laboratory of ASIC and System, School of Microelectronics, Fudan University, Shanghai 200433 (China)

2015-07-07

Excellent voltage linearity of metal-insulator-metal (MIM) capacitors is highly required for next generation radio frequency integration circuits. In this work, employing atomic layer deposition technique, we demonstrated how the voltage linearity of MIM capacitors was modulated by adding different thickness of SiO{sub 2} layer to the nano-stack of Al{sub 2}O{sub 3}/ZrO{sub 2}. It was found that the quadratic voltage coefficient of capacitance (α) can be effectively reduced from 1279 to −75 ppm/V{sup 2} with increasing the thickness of SiO{sub 2} from zero to 4 nm, which is more powerful than increasing the thickness of ZrO{sub 2} in the Al{sub 2}O{sub 3}/ZrO{sub 2} stack. This is attributed to counteraction between the positive α for Al{sub 2}O{sub 3}/ZrO{sub 2} and the negative one for SiO{sub 2} in the MIM capacitors with Al{sub 2}O{sub 3}/ZrO{sub 2}/SiO{sub 2} stacks. Interestingly, voltage-polarity dependent conduction behaviors in the MIM capacitors were observed. For electron bottom-injection, the addition of SiO{sub 2} obviously suppressed the leakage current; however, it abnormally increased the leakage current for electron top-injection. These are ascribed to the co-existence of shallow and deep traps in ZrO{sub 2}, and the former is in favor of the field-assisted tunnelling conduction and the latter contributes to the trap-assisted tunnelling process. The above findings will be beneficial to device design and process optimization for high performance MIM capacitors.

The role of interfacial metal silicates on the magnetism in FeCo/SiO{sub 2} and Fe{sub 49%}Co{sub 49%}V{sub 2%}/SiO{sub 2} core/shell nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Desautels, R. D., E-mail: rddesautels@physics.umanitoba.ca [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada); Toyota Research Institute of North America, Ann Arbor, Michigan 48169 (United States); Freeland, J. W. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Rowe, M. P. [Toyota Research Institute of North America, Ann Arbor, Michigan 48169 (United States); Lierop, J. van [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2015-05-07

We have investigated the role of spontaneously formed interfacial metal silicates on the magnetism of FeCo/SiO{sub 2} and Fe{sub 49%}Co{sub 49%}V{sub 2%}/SiO{sub 2} core/shell nanoparticles. Element specific x-ray absorption and photoelectron spectroscopy experiments have identified the characteristic spectral features of metallic iron and cobalt from within the nanoparticle core. In addition, metal silicates of iron, cobalt, and vanadium were found to have formed spontaneously at the interface between the nanoparticle core and silica shell. X-ray magnetic circular dichroism experiments indicated that the elemental magnetism was a result of metallic iron and cobalt with small components from the iron, cobalt, and vanadium silicates. Magnetometry experiments have shown that there was no exchange bias loop shift in the FeCo nanoparticles; however, exchange bias from antiferromagnetic vanadium oxide was measured in the V-doped nanoparticles. These results showed clearly that the interfacial metal silicates played a significant role in the magnetism of these core/shell nanoparticles, and that the vanadium percolated from the FeCo-cores into the SiO{sub 2}-based interfacial shell.

[Sb{sub 4}Au{sub 4}Sb{sub 4}]{sup 2−}: A designer all-metal aromatic sandwich

Energy Technology Data Exchange (ETDEWEB)

Tian, Wen-Juan; You, Xue-Rui [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); Guo, Jin-Chang [Department of Chemistry, Xinzhou Teachers University, Xinzhou 034000 (China); Li, Da-Zhi, E-mail: hj.zhai@sxu.edu.cn, E-mail: ldz005@126.com [Department of Chemical Engineering, Binzhou University, Binzhou 256603 (China); Wang, Ying-Jin [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); Department of Chemistry, Xinzhou Teachers University, Xinzhou 034000 (China); Sun, Zhong-Ming [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Zhai, Hua-Jin, E-mail: hj.zhai@sxu.edu.cn, E-mail: ldz005@126.com [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); State Key Laboratory of Quantum Optics and Quantum Optics Devices, Shanxi University, Taiyuan 030006 (China)

2016-07-28

We report on the computational design of an all-metal aromatic sandwich, [Sb{sub 4}Au{sub 4}Sb{sub 4}]{sup 2−}. The triple-layered, square-prismatic sandwich complex is the global minimum of the system from Coalescence Kick and Minima Hopping structural searches. Following a standard, qualitative chemical bonding analysis via canonical molecular orbitals, the sandwich complex can be formally described as [Sb{sub 4}]{sup +}[Au{sub 4}]{sup 4−}[Sb{sub 4}]{sup +}, showing ionic bonding characters with electron transfers in between the Sb{sub 4}/Au{sub 4}/Sb{sub 4} layers. For an in-depth understanding of the system, one needs to go beyond the above picture. Significant Sb → Au donation and Sb ← Au back-donation occur, redistributing electrons from the Sb{sub 4}/Au{sub 4}/Sb{sub 4} layers to the interlayer Sb–Au–Sb edges, which effectively lead to four Sb–Au–Sb three-center two-electron bonds. The complex is a system with 30 valence electrons, excluding the Sb 5s and Au 5d lone-pairs. The two [Sb{sub 4}]{sup +} ligands constitute an unusual three-fold (π and σ) aromatic system with all 22 electrons being delocalized. An energy gap of ∼1.6 eV is predicted for this all-metal sandwich. The complex is a rare example for rational design of cluster compounds and invites forth-coming synthetic efforts.

Metallization and stiffness of the Li-intercalated MoS{sub 2} bilayer

Energy Technology Data Exchange (ETDEWEB)

Petrova, N.V. [Institute of Physics of National Academy of Sciences of Ukraine, Prospect Nauki 46, Kiev 03028 (Ukraine); Yakovkin, I.N., E-mail: yakov@iop.kiev.ua [Institute of Physics of National Academy of Sciences of Ukraine, Prospect Nauki 46, Kiev 03028 (Ukraine); Zeze, D.A. [School of Engineering & Computing Sciences, Durham University, Durham DH1 3LE (United Kingdom)

2015-10-30

Graphical abstract: The band structures, DOS, and Fermi surfaces for the MoS{sub 2} bilayer with adsorbed (a, c, e) and intercalated (b, d, f) Li (1 × 1) layer. - Highlights: • Adsorbed or intercalated Li monolayer makes the MoS{sub 2} surface metallic. • Increasing density of adsorbed Li leads to the nonmetal-to-metal transition in the layer. • Lithium inserted into MoS{sub 2} bilayers increases the interlayer interaction. - Abstract: Performed density-functional theory (DFT) calculations have shown that the Li adsorption on the MoS{sub 2} (0 0 0 1) surface, as well as Li intercalation into the space between MoS{sub 2} layers, transforms the semiconductor band structure of MoS{sub 2} into metallic. For the (√3 × √3) – R30° Li layer, the band structures of the MoS{sub 2} bilayer with adsorbed and intercalated Li are very similar, while for higher Li concentrations, the character of metallization for the adsorbed layer substantially differs from that of the MoS{sub 2}–Li–MoS{sub 2} layered system. In particular, for the adsorbed (1 × 1) Li monolayer, the increased density of the layer leads to the nonmetal-to-metal transition, which is evident from the appearance of the band crossing E{sub F} with an upward dispersion, pertinent to simple metals. It has been demonstrated that intercalated Li substantially increases the interlayer interaction in MoS{sub 2}. Specifically, the estimated 0.12 eV energy of the interlayer interaction in the MoS{sub 2} bilayer increases to 0.60 eV. This result is also consistent with results of earlier DFT calculations and available experimental results for alkali-intercalated graphene layers, which have demonstrated a substantial increase in the stiffness due to intercalation of alkalis.

Resistive switching in ZrO{sub 2} based metal-oxide-metal structures

Energy Technology Data Exchange (ETDEWEB)

Kaerkkaenen, Irina

2014-07-01

The goal of this work is a deeper understanding of the influence of the (i) metal-oxide-metal (MOM) layer stacks configuration, (ii) the oxide films microstructure, (iii) and their defect structure on the appearance of different switching modes, i.e. unipolar (UP) and bipolar (BP). The first part deals with the fabrication of ZrO{sub 2} thin films by an industrial compatible atomic layer deposition (ALD) process, the chemical, structural and morphological characterization of the films, the growth of ZrO{sub 2}/TiO{sub 2} bilayers, the integration of the layers into metal-oxide-metal (MOM) devices and the electrical characterization with focus on the RS behavior. In the second part the effect of the device structure, in particular the thickness of the electrochemical active electrode (EAE) and the ZrO{sub 2} film morphology, on the RS switching polarity of Pt/ZrO{sub 2}/(EAE) cells is discussed. ZrO{sub 2} films and ZrO{sub 2}/TiO{sub 2} bilayers were grown by ALD and were carefully structurally and electrically characterized. The ZrO{sub 2} films grown from Zr[N(CH{sub 3})C{sub 2}H{sub 5}]{sub 4} (TEMA-Zr) at 240 C were polycrystalline with a mixture of cubic/tetragonal phases. ALD/H{sub 2}O-ZrO{sub 2} films exhibited a random oriented polycrystalline structure, whereas the ALD/O{sub 3}-ZrO{sub 2} films consisted of preferably oriented cubic shaped grains. Pt/ZrO{sub 2}/Ti/Pt structures with a Ti top electrode (TE) thickness of 5 to 20 nm showed unipolar type RS behavior, while by increasing the Ti TE thickness a gradual change of switching polarity from unipolar to bipolar with a completely bipolar type RS behavior for a Ti TE thickness of 40 nm is found. The switching in Pt/ZrO{sub 2}/TiO{sub 2}/Ti/Pt devices was unipolar, comparable to Pt/ZrO{sub 2}/Ti/Pt cells. In contrast, bilayers with the reverse structure, Pt/TiO{sub 2}/ZrO{sub 2}/Ti/Pt, showed non-switching behavior. The effect of the cells stack structure on the polarity of the RS behavior was studied in

Prismatic substructure in metals; Prizmaticna substruktura kod metala

Energy Technology Data Exchange (ETDEWEB)

Milosavljevic, Dj [Institute of Nuclear Sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

1965-11-15

The first step was the study of impurities behaviour during solidification of metals under equilibrium and non-equilibrium conditions. Impurities distribution and their structural shapes are dependent on conditions of solidification. These conditions are directly related to temperature and concentration issues on the solidification surface. Theoretical and experimental evaluated in this paper show the significance of subcooling in formation of cellular sub-structure.

Pressure induced insulator–metal transition and giant negative piezoresistance in Pr{sub 0.6}Ca{sub 0.4}Mn{sub 0.96}Al{sub 0.04}O{sub 3} polycrystal

Energy Technology Data Exchange (ETDEWEB)

Arumugam, S., E-mail: sarumugam1963@yahoo.com [Centre for High Pressure Research, School of Physics, Bharathidasan University, Tiruchirapalli 620024, Tamil Nadu (India); Thiyagarajan, R. [Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai 201203 (China); Kalaiselvan, G.; Sivaprakash, P. [Centre for High Pressure Research, School of Physics, Bharathidasan University, Tiruchirapalli 620024, Tamil Nadu (India)

2016-11-01

The effect of external hydrostatic pressure (P) on the magnetization (M) and resistivity (ρ) properties of charge-orbital (CO) ordered-insulating phase-separated manganite Pr{sub 0.6}Ca{sub 0.4}Mn{sub 0.96}Al{sub 0.04}O{sub 3} system is reported here. At ambient P, CO ordering transition and spin-canting in the AFM are observed at 223 K and 55 K respectively in M(T) and ρ(T) measurements. Application of P increases simultaneously the magnitude of magnetization (M) and transition temperature, and weakens the CO ordering in M(T) measurements up to 0.98 GPa. During ρ(T) measurements, P induces an insulator–metallic transition (T{sub IM}) at 1.02 GPa, and further increase of P up to 2.84 GPa leads to increase of T{sub IM} (dT{sub IM}/dP =21.6 K/GPa). ρ at T{sub IM} is reduced about three orders of magnitude at 2.84 GPa, and leads to the giant negative piezoresistance (~98%). These results are analyzed separately in two temperature regions i.e., below and above T{sub IM} by power function equation and small polaronic hopping model respectively. It is understood from these analyses that the application of P suppresses the Jahn–Teller distortions, electron–electron and electron–magnon scattering factors, and induces the insulator–metal transition in Pr{sub 0.6}Ca{sub 0.4}Mn{sub 0.96}Al{sub 0.04}O{sub 3} system. - Highlights: • Application of P on Pr{sub 0.6}Ca{sub 0.4}Mn{sub 0.96}Al{sub 0.04}O{sub 3} reduces resistivity (ρ) remarkably at low-temperatures, and exhibits an insulator to metallic transition at 1.02 GPa. • The reduction in ρ by P is about three orders of magnitude at 2.84 GPa, leads to the giant negative piezoresistance about 98%. • The effect of the suppression of Jahn–Teller distortions, electron–electron and electron–magnon scattering under an applied P exhibits to the metal-Insulator transition. • The phase-separation in this system has been tuned by both internal and external perturbations.

Influence of TiO{sub 2} nanoparticles on cellular antioxidant defense and its involvement in genotoxicity in HepG2 cells

Energy Technology Data Exchange (ETDEWEB)

Petkovic, Jana; Zegura, Bojana; Filipic, Metka, E-mail: metka.filipic@nib.si [Department of Genetic Toxicology and Cancer Biology, National Institute of Biology, SI-1000 Ljubljana (Slovenia)

2011-07-06

We investigated the effects of two types of TiO{sub 2} nanoparticles (<25 nm anatase, TiO{sub 2}-An; <100 nm rutile, TiO{sub 2}-Ru) on cellular antioxidant defense in HepG2 cells. We previously showed that in HepG2 cells, TiO{sub 2} nanoparticles are not toxic, although they induce oxidative DNA damage, production of intracellular reactive oxygen species, and up-regulation of mRNA expression of DNA-damage-responsive genes (p53, p21, gadd45{alpha} and mdm2). In the present study, we measured changes in mRNA expression of several antioxidant enzymes: catalase, superoxide dismutase, glutathione peroxidase, nitric oxide synthase, glutathione reductase and glutamate-cysteine ligase. As reduced glutathione has a central role in cellular antioxidant defense, we determined the effects of TiO{sub 2} nanoparticles on changes in the intracellular glutathione content. To confirm a role for glutathione in protection against TiO{sub 2}-nanoparticle-induced DNA damage, we compared the extent of TiO{sub 2}-nanoparticle-induced DNA damage in HepG2 cells that were glutathione depleted with buthionine-(S,R)-sulfoximine pretreatment and in nonglutathione-depleted cells. Our data show that both types of TiO{sub 2} nanoparticles up-regulate mRNA expression of oxidative-stress-related genes, with TiO{sub 2}-Ru being a stronger inducer than TiO{sub 2}-An. Both types of TiO{sub 2} nanoparticles also induce dose-dependent increases in intracellular glutathione levels, and in glutathione-depleted cells, TiO{sub 2}-nanoparticle-induced DNA damage was significantly greater than in nonglutathione-depleted cells. Interestingly, the glutathione content and the extent of DNA damage were significantly higher in TiO{sub 2}-An- than TiO{sub 2}-Ru-exposed cells. Thus, we show that TiO{sub 2} nanoparticles cause activation of cellular antioxidant processes, and that intracellular glutathione has a critical role in defense against this TiO{sub 2}-nanoparticle-induced DNA damage.

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-05-01

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

Pressure dependence of the elastic constants and vibrational anharmonicity of Pd sub 3 sub 9 Ni sub 1 sub 0 Cu sub 3 sub 0 P sub 2 sub 1 bulk metallic glass

CERN Document Server

Wang Li; Sun, L L; Wang, W H; Wang, W K

2003-01-01

The pressure dependence of the acoustic velocities of a Pd sub 3 sub 9 Ni sub 1 sub 0 Cu sub 3 sub 0 P sub 2 sub 1 bulk metallic glass have been investigated up to 0.5 GPa at room temperature with the pulse echo overlap method. Two independent second-order elastic coefficients C sub 1 sub 1 and C sub 4 sub 4 and their pressure derivatives are yielded. The vibrational anharmonicity is shown by calculating both the acoustic mode Grueneisen parameters in the long-wavelength limit and the thermal Grueneisen parameter, and this result is compared with that for the Pd sub 4 sub 0 Ni sub 4 sub 0 P sub 2 sub 0 bulk glass.

THE KENNICUTT–SCHMIDT RELATION IN EXTREMELY METAL-POOR DWARF GALAXIES

Energy Technology Data Exchange (ETDEWEB)

Filho, M. E.; Almeida, J. Sánchez; Muñoz-Tuñón, C. [Instituto Astrofísica de Canarias, E-38200 La Laguna, Tenerife (Spain); Amorín, R. [National Institute for Astrophysics, Astronomical Observatory of Rome, Via Frascati 33, I-00040 Monteporzio Catone (Rome) (Italy); Elmegreen, B. G. [IBM, T. J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY 10598 (United States); Elmegreen, D. M., E-mail: mfilho@astro.up.pt [Department of Physics and Astronomy, Vassar College, Poughkeepsie, NY 12604 (United States)

2016-04-01

The Kennicutt–Schmidt (KS) relation between the gas mass and star formation rate (SFR) describes the star formation regulation in disk galaxies. It is a function of gas metallicity, but the low-metallicity regime of the KS diagram is poorly sampled. We have analyzed data for a representative set of extremely metal-poor galaxies (XMPs), as well as auxiliary data, and compared these to empirical and theoretical predictions. The majority of the XMPs possess high specific SFRs, similar to high-redshift star-forming galaxies. On the KS plot, the XMP H i data occupy the same region as dwarfs and extend the relation for low surface brightness galaxies. Considering the H i gas alone, a considerable fraction of the XMPs already fall off the KS law. Significant quantities of “dark” H{sub 2} mass (i.e., not traced by CO) would imply that XMPs possess low star formation efficiencies (SFE{sub gas}). Low SFE{sub gas} in XMPs may be the result of the metal-poor nature of the H i gas. Alternatively, the H i reservoir may be largely inert, the star formation being dominated by cosmological accretion. Time lags between gas accretion and star formation may also reduce the apparent SFE{sub gas}, as may galaxy winds, which can expel most of the gas into the intergalactic medium. Hence, on global scales, XMPs could be H i-dominated, high-specific-SFR (≳10{sup −10} yr{sup −1}), low-SFE{sub gas} (≲10{sup −9} yr{sup −1}) systems, in which the total H i mass is likely not a good predictor of the total H{sub 2} mass, nor of the SFR.

Drosophila melanogaster Models of Metal-Related Human Diseases and Metal Toxicity.

Science.gov (United States)

Calap-Quintana, Pablo; González-Fernández, Javier; Sebastiá-Ortega, Noelia; Llorens, José Vicente; Moltó, María Dolores

2017-07-06

Iron, copper and zinc are transition metals essential for life because they are required in a multitude of biological processes. Organisms have evolved to acquire metals from nutrition and to maintain adequate levels of each metal to avoid damaging effects associated with its deficiency, excess or misplacement. Interestingly, the main components of metal homeostatic pathways are conserved, with many orthologues of the human metal-related genes having been identified and characterized in Drosophila melanogaster . Drosophila has gained appreciation as a useful model for studying human diseases, including those caused by mutations in pathways controlling cellular metal homeostasis. Flies have many advantages in the laboratory, such as a short life cycle, easy handling and inexpensive maintenance. Furthermore, they can be raised in a large number. In addition, flies are greatly appreciated because they offer a considerable number of genetic tools to address some of the unresolved questions concerning disease pathology, which in turn could contribute to our understanding of the metal metabolism and homeostasis. This review recapitulates the metabolism of the principal transition metals, namely iron, zinc and copper, in Drosophila and the utility of this organism as an experimental model to explore the role of metal dyshomeostasis in different human diseases. Finally, a summary of the contribution of Drosophila as a model for testing metal toxicity is provided.

Agent-Based Modeling of Mitochondria Links Sub-Cellular Dynamics to Cellular Homeostasis and Heterogeneity.

Directory of Open Access Journals (Sweden)

Giovanni Dalmasso

Full Text Available Mitochondria are semi-autonomous organelles that supply energy for cellular biochemistry through oxidative phosphorylation. Within a cell, hundreds of mobile mitochondria undergo fusion and fission events to form a dynamic network. These morphological and mobility dynamics are essential for maintaining mitochondrial functional homeostasis, and alterations both impact and reflect cellular stress states. Mitochondrial homeostasis is further dependent on production (biogenesis and the removal of damaged mitochondria by selective autophagy (mitophagy. While mitochondrial function, dynamics, biogenesis and mitophagy are highly-integrated processes, it is not fully understood how systemic control in the cell is established to maintain homeostasis, or respond to bioenergetic demands. Here we used agent-based modeling (ABM to integrate molecular and imaging knowledge sets, and simulate population dynamics of mitochondria and their response to environmental energy demand. Using high-dimensional parameter searches we integrated experimentally-measured rates of mitochondrial biogenesis and mitophagy, and using sensitivity analysis we identified parameter influences on population homeostasis. By studying the dynamics of cellular subpopulations with distinct mitochondrial masses, our approach uncovered system properties of mitochondrial populations: (1 mitochondrial fusion and fission activities rapidly establish mitochondrial sub-population homeostasis, and total cellular levels of mitochondria alter fusion and fission activities and subpopulation distributions; (2 restricting the directionality of mitochondrial mobility does not alter morphology subpopulation distributions, but increases network transmission dynamics; and (3 maintaining mitochondrial mass homeostasis and responding to bioenergetic stress requires the integration of mitochondrial dynamics with the cellular bioenergetic state. Finally, (4 our model suggests sources of, and stress conditions

Exploring Charge Transport in Guest Molecule Infiltrated Cu<sub>3sub>(BTC)>2sub> Metal Organic Framework

Energy Technology Data Exchange (ETDEWEB)

Leonard, Francois Leonard [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stavila, Vitalie [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Allendorf, Mark D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2014-09-01

The goal of this Exploratory Express project was to expand the understanding of the physical properties of our recently discovered class of materials consisting of metal-organic frameworks with electroactive ‘guest’ molecules that together form an electrically conducting charge-transfer complex (molecule@MOF). Thin films of Cu<sub>3sub>(BTC)>2sub> were grown on fused silica using solution step-by-step growth and were infiltrated with the molecule tetracyanoquinodimethane (TCNQ). The infiltrated MOF films were extensively characterized using optical microscopy, scanning electron microscopy, Raman spectroscopy, electrical conductivity, and thermoelectric properties. Thermopower measurements on TCNQ@Cu<sub>3sub>(BTC)>2sub> revealed a positive Seebeck coefficient of ~400 μV/k, indicating that holes are the primary carriers in this material. The high value of the Seebeck coefficient and the expected low thermal conductivity suggest that molecule@MOF materials may be attractive for thermoelectric power conversion applications requiring low cost, solution-processable, and non-toxic active materials.

Synthesis of Mg{sub 2}FeH{sub 6} containing as additives transition metal and transition metal fluorides or carbon; Sintese de Mg{sub 2}FeH{sub 6} contando como aditivos metais de transicao e fluoretos de metais de transicao ou carbono

Energy Technology Data Exchange (ETDEWEB)

Zepon, G.; Leiva, D.R.; Botta, W.J., E-mail: guizepon@yahoo.com.b [Universidade Federal de Sao Carlos (DEMa/UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

2010-07-01

The Mg{sub 2}FeH{sub 6} is a promising way of storing hydrogen in solid form, composed by elements that have low cost and, at the same time, high volumetric storage density: 150 kg H{sub 2}/m{sup 3}. However, this complex hydride is not easily synthesized as a single phase material. The hydrogen sorption high temperature and slow kinetics are the major limitations for the practical application of the Mg{sub 2}FeH{sub 6} as a hydrogen storage material. Little is known about the effects of additives in Mg{sub 2}FeH{sub 6} based nanocomposites in this work were synthesized by MAE under hydrogen atmosphere nanocomposites based on Mg{sub 2}FeH{sub 6} containing additives as transition metals, transition metals fluorides of transition metals or carbon, in order to obtain information on the effects of the selected additives. To this end, we used characterization techniques such as XRD, SEM and TEM, thermal analysis by DSC and curves made in apparatus PCT.(author)

Identification of PM{sub 10} characteristics involved in cellular responses in human bronchial epithelial cells (Beas-2B)

Energy Technology Data Exchange (ETDEWEB)

Van Den Heuvel, Rosette, E-mail: rosette.vandenheuvel@vito.be [Flemish Institute for Technological Research (VITO), Environmental Risk and Health Unit, Boeretang 200, 2400 Mol (Belgium); Den Hond, Elly, E-mail: elly.denhond@wiv-isp.be [Flemish Institute for Technological Research (VITO), Environmental Risk and Health Unit, Boeretang 200, 2400 Mol (Belgium); Govarts, Eva, E-mail: eva.govarts@vito.be [Flemish Institute for Technological Research (VITO), Environmental Risk and Health Unit, Boeretang 200, 2400 Mol (Belgium); Colles, Ann, E-mail: ann.colles@vito.be [Flemish Institute for Technological Research (VITO), Environmental Risk and Health Unit, Boeretang 200, 2400 Mol (Belgium); Koppen, Gudrun, E-mail: gudrun.koppen@vito.be [Flemish Institute for Technological Research (VITO), Environmental Risk and Health Unit, Boeretang 200, 2400 Mol (Belgium); Staelens, Jeroen, E-mail: j.staelens@vmm.be [Flanders Environment Agency (VMM), Unit Air, Kronenburgstraat 45, 2000 Antwerp (Belgium); Mampaey, Maja, E-mail: maja.mampaey@lne.vlaanderen.be [LNE (Environment, Nature and Energy Department), Flemish Government, Koning Albert II-laan 20, 1000 Brussels (Belgium); Janssen, Nicole, E-mail: nicole.janssen@rivm.nl [National Institute for Public Health and the Environment (RIVM), P.O. Box, 2720 BA, Bilthoven (Netherlands); Schoeters, Greet, E-mail: greet.schoeters@vito.be [Flemish Institute for Technological Research (VITO), Environmental Risk and Health Unit, Boeretang 200, 2400 Mol (Belgium); University of Antwerp, Department of Biomedical Sciences, 2000 Antwerp (Belgium)

2016-08-15

single and multiple regression analyses. The reduction in cell viability was significantly correlated with BC, Cd and Pb. The induction of IL-8 in Beas-2B cells was significantly associated with Cu, Ni and Zn and endotoxin. Endotoxin levels explained 33% of the variance in IL-8 induction. A significant interaction between ambient temperature and endotoxin on the pro-inflammatory activity was seen. No association was found between OP and the cellular responses. This study supports the hypothesis that, on an equal mass basis, PM{sub 10} induced biological effects differ due to differences in PM{sub 10} characteristics. Metals (Cd, Cu, Ni and Zn), BC, and endotoxin were among the main determinants for the observed biological responses. - Highlights: • On an equal mass basis, PM{sub 10} sampled at an urban, rural and industrial site induced different cellular effects in Beas-2B. • Endotoxin levels and oxidative potential (OP) were analysed in the PM{sub 10} samples. • Black carbon, cadmium and lead were correlated with decreased cell viability. • Endotoxin levels explained the majority of the variance in il-8 induction. • Oxidatively damaged DNA was observed in all the samples.

Investigation of cellular microstructure and enhanced coercivity in sputtered Sm{sub 2}(CoCuFeZr){sub 17} film

Energy Technology Data Exchange (ETDEWEB)

Bhatt, Ranu, E-mail: rbhatt@barc.gov.in; Schütz, G. [Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research), Heisenbergstr. 3, 70569 Stuttgart (Germany); Bhatt, Pramod [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

2014-03-14

We have investigated the effect of annealing temperature on the microstructure and magnetic properties of Sm{sub 2}(CoCuFeZr){sub 17} films prepared using ion beam sputtering at room temperature. The as-deposited film shows randomly oriented polycrystalline grains and exhibits small coercivity (H{sub C}) of 0.04 T at room temperature. Post annealing of these films at 700 °C under Ar atmosphere shows significant changes in the microstructure transforming it to the development of cellular growth, concomitant with enhanced coercivity up to 1.3 T. The enhanced coercivity is explained using the domain wall pinning mechanism.

Heterojunction metal-oxide-metal Au-Fe{sub 3}O{sub 4}-Au single nanowire device for spintronics

Energy Technology Data Exchange (ETDEWEB)

Reddy, K. M., E-mail: mrkongara@boisestate.edu; Punnoose, Alex; Hanna, Charles [Department of Physics, Boise State University, Boise, Idaho 83725 (United States); Padture, Nitin P. [School of Engineering, Brown University, Providence, Rhode Island 02912 (United States)

2015-05-07

In this report, we present the synthesis of heterojunction magnetite nanowires in alumina template and describe magnetic and electrical properties from a single nanowire device for spintronics applications. Heterojunction Au-Fe-Au nanowire arrays were electrodeposited in porous aluminum oxide templates, and an extensive and controlled heat treatment process converted Fe segment to nanocrystalline cubic magnetite phase with well-defined Au-Fe{sub 3}O{sub 4} interfaces as confirmed by the transmission electron microscopy. Magnetic measurements revealed Verwey transition shoulder around 120 K and a room temperature coercive field of 90 Oe. Current–voltage (I-V) characteristics of a single Au-Fe{sub 3}O{sub 4}-Au nanowire have exhibited Ohmic behavior. Anomalous positive magnetoresistance of about 0.5% is observed on a single nanowire, which is attributed to the high spin polarization in nanowire device with pure Fe{sub 3}O{sub 4} phase and nanocontact barrier. This work demonstrates the ability to preserve the pristine Fe{sub 3}O{sub 4} and well defined electrode contact metal (Au)–magnetite interface, which helps in attaining high spin polarized current.

Selective catalytic reduction of nitric oxide by ethylene over metal-modified ZSM-5- and {gamma}-Al{sub 2}O{sub 3}-catalysts

Energy Technology Data Exchange (ETDEWEB)

Eraenen, K; Kumar, N; Lindfors, L E [Aabo Akademi, Turku (Finland). Lab. of Industrial Chemistry

1997-12-31

Metal-modified ZSM-5 and {gamma}-Al{sub 2}O{sub 3} catalysts were tested in reduction of nitric oxide by ethylene. Different metals were introduced into the ZSM-5 catalyst by ion-exchange and by introduction of metals during the zeolite synthesis. To prepare bimetallic catalysts a combination of these methods was used. The {gamma}-Al{sub 2}O{sub 3} was impregnated with different metals by the incipient wetness technique and by adsorption. Activity measurements showed that the ZSM-5 based catalysts were more active than the {gamma}-Al{sub 2}O{sub 3} based catalysts. The highest conversion was obtained over a ZSM-5 catalyst prepared by introduction of Pd during synthesis of the zeolite and subsequently ion-exchanged with copper. (author)

Selective catalytic reduction of nitric oxide by ethylene over metal-modified ZSM-5- and {gamma}-Al{sub 2}O{sub 3}-catalysts

Energy Technology Data Exchange (ETDEWEB)

Eraenen, K.; Kumar, N.; Lindfors, L.E. [Aabo Akademi, Turku (Finland). Lab. of Industrial Chemistry

1996-12-31

Metal-modified ZSM-5 and {gamma}-Al{sub 2}O{sub 3} catalysts were tested in reduction of nitric oxide by ethylene. Different metals were introduced into the ZSM-5 catalyst by ion-exchange and by introduction of metals during the zeolite synthesis. To prepare bimetallic catalysts a combination of these methods was used. The {gamma}-Al{sub 2}O{sub 3} was impregnated with different metals by the incipient wetness technique and by adsorption. Activity measurements showed that the ZSM-5 based catalysts were more active than the {gamma}-Al{sub 2}O{sub 3} based catalysts. The highest conversion was obtained over a ZSM-5 catalyst prepared by introduction of Pd during synthesis of the zeolite and subsequently ion-exchanged with copper. (author)

High-throughput synthesis of mixed-metal electrocatalysts for CO{sub 2} reduction

Energy Technology Data Exchange (ETDEWEB)

He, Jingfu; Dettelbach, Kevan E.; Li, Tengfei [Department of Chemistry, The University of British Columbia, Vancouver, BC (Canada); Salvatore, Danielle A. [Department of Chemical and Biological Engineering, The University of British Columbia, Vancouver, BC (Canada); Berlinguette, Curtis P. [Department of Chemistry, The University of British Columbia, Vancouver, BC (Canada); Department of Chemical and Biological Engineering, The University of British Columbia, Vancouver, BC (Canada)

2017-05-22

The utilization of CO{sub 2} as a feedstock requires fundamental breakthroughs in catalyst design. The efficiencies and activities of pure metal electrodes towards the CO{sub 2} reduction reaction are established, but the corresponding data on mixed-metal systems are not as well developed. In this study we show that the near-infrared driven decomposition (NIRDD) of solution-deposited films of metal salts and subsequent electrochemical reduction offers the unique opportunity to form an array of mixed-metal electrocatalyst coatings with excellent control of the metal stoichiometries. This synthetic method enabled us to develop an empirical structure-property correlation to help inform the development of optimized CO{sub 2} catalyst compositions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

The UL24 protein of herpes simplex virus 1 affects the sub-cellular distribution of viral glycoproteins involved in fusion

Energy Technology Data Exchange (ETDEWEB)

Ben Abdeljelil, Nawel; Rochette, Pierre-Alexandre; Pearson, Angela, E-mail: angela.pearson@iaf.inrs.ca

2013-09-15

Mutations in UL24 of herpes simplex virus type 1 can lead to a syncytial phenotype. We hypothesized that UL24 affects the sub-cellular distribution of viral glycoproteins involved in fusion. In non-immortalized human foreskin fibroblasts (HFFs) we detected viral glycoproteins B (gB), gD, gH and gL present in extended blotches throughout the cytoplasm with limited nuclear membrane staining; however, in HFFs infected with a UL24-deficient virus (UL24X), staining for the viral glycoproteins appeared as long, thin streaks running across the cell. Interestingly, there was a decrease in co-localized staining of gB and gD with F-actin at late times in UL24X-infected HFFs. Treatment with chemical agents that perturbed the actin cytoskeleton hindered the formation of UL24X-induced syncytia in these cells. These data support a model whereby the UL24 syncytial phenotype results from a mislocalization of viral glycoproteins late in infection. - Highlights: • UL24 affects the sub-cellular distribution of viral glycoproteins required for fusion. • Sub-cellular distribution of viral glycoproteins varies in cell-type dependent manner. • Drugs targeting actin microfilaments affect formation of UL24-related syncytia in HFFs.

Synthesis of metal-adeninate frameworks with high separation capacity on C{sub 2}/C{sub 1} hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

He, Yan-Ping, E-mail: hyp041@163.com [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Zhou, Nan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Hunan GuangYi Experimental Middle School, Changsha, Hunan 410014 (China); Tan, Yan-Xi; Wang, Fei; Zhang, Jian [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

2016-06-15

By introducing isophthalic acid or 2,5-thiophenedicarboxylic acid to assemble with adenine and cadmium salt, two isostructural and anionic porous metal-organic frameworks (1 and 2) possessing the novel (4,8)-connected sqc topology are presented here. 1 shows permanent porosity with Langmuir surface area of 770.1 m{sup 2}/g and exhibits high separation capacity on C{sub 2}/C{sub 1} hydrocarbons. - Graphical abstract: The assembly between isophthalic acid, adenine ligands and Cd{sup 2+} ions leads to an anionic porous metal-organic frameworks, which shows permanent porosity and exhibits high C{sub 2}/C{sub 1} hydrocarbons separation capacity. Display Omitted.

Fabrication and magnetic-induced aggregation of Fe{sub 3}O{sub 4}–noble metal composites for superior SERS performances

Energy Technology Data Exchange (ETDEWEB)

Gan, Zibao; Zhao, Aiwu, E-mail: awzhao@iim.ac.cn; Zhang, Maofeng; Wang, Dapeng; Guo, Hongyan; Tao, Wenyu; Gao, Qian; Mao, Ranran; Liu, Erhu [Chinese Academy of Sciences, Institute of Intelligent Machines (China)

2013-11-15

Fe{sub 3}O{sub 4}–noble metal composites were obtained by combining Au, Ag nanoparticles (NPs) with 3-aminopropyltrimethoxysilane-functionalized Fe{sub 3}O{sub 4} NPs. UV–Visible absorption spectroscopy demonstrates the obtained Fe{sub 3}O{sub 4}–noble metal composites inherit the typical surface plasmon resonance bands of Au, Ag at 533 and 453 nm, respectively. Magnetic measurements also indicated that the superparamagnetic Fe{sub 3}O{sub 4}–noble metal composites have excellent magnetic response behavior. A magnetic-induced idea was introduced to change their aggregated states and take full advantage of their surface-enhanced Raman scattering (SERS) performances. Under the induction of an external magnetic field, the bifunctional Fe{sub 3}O{sub 4}–noble metal aggregates exhibit the unique superiority in SERS detection of Rhodamine 6G (R6G), compared with the naturally dispersed Au, Ag NPs. Especially, the detection limit of the Fe{sub 3}O{sub 4}–Ag aggregates for R6G is as low as 10{sup −14} M, and the calculated EF reaches up to 1.2 × 10{sup 6}, which meets the requirements for trace detection of analytes. Furthermore, the superiority could be extended to sensitive detection of other organic molecules, such as 4-mercaptopyridine. This work provides a new insight for active adjustment of the aggregated states of SERS substrates and the optimization of SERS performances.

Resistance to He{sup 2+} induced irradiation damage in metallic glass Zr{sub 64}Cu{sub 17.8}Ni{sub 10.7}Al{sub 7.5}

Energy Technology Data Exchange (ETDEWEB)

Wang, Bin [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Zhang, Hongran; Hou, Wenjing; Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Wang, Zhiguang [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Dong, Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China)

2014-01-15

Graphical abstract: This paper used TEM for the analysis of the microstructure, helium bubble distribution and helium bubble growth process of Zr-based metallic glass after the irradiation at maximum fluence. Fig. a shows the cross-sectional TEM sample morphology image of Zr-based metallic glass. It could be observed that a large number of helium bubbles were distributed on the topmost surface of Zr-based metallic glass (Zone A in Fig.a). The helium bubbles on the surface were mostly round, except for a small number of irregular-shape bubbles, with the sizes ranging from several nanometers to several tens of nanometers. The helium bubble diameter became gradually smaller downwardly from Zone A. As shown in Fig.a, the helium bubble size was small within the range of 0.3–1.2 μm below the surface (Zone B), and a large number of helium bubbles with a diameter of several nanometers were uniformly distributed in the area close to Zone A and Zone C; as shown in Fig.b, a helium bubble layer appeared within the range of 1.2–1.5 μm (Zone C) away from the surface, and it was found that the helium bubble size was larger in the vicinity of 1.3 μm away from the surface. Fig.b shows the atom vacancy distribution curves in Zr-based metallic glass before and after the helium ion irradiation obtained through SRIM program simulation. It could be observed that vacancy concentration peaks appeared at the ion range of 1.2 μm, and a large number of vacancies were concentrated at the end of the range. The vacancies of the sample were very easy to capture helium atoms and were conducive to the formation and growth of helium bubbles. -- Highlights: • Metallic glass could maintain amorphous state at different irradiation fluences. • A damage layer appeared in Zr{sub 64}Cu{sub 17.8}Ni{sub 10.7}Al{sub 7.5} at a fluence of 2 × 10{sup 18} ions/cm{sup 2}. • Peeling and delamination appeared numerously in W at a fluence of 1 × 10{sup 18} ions/cm{sup 2}. • Lots of helium bubbles

Phase evolution and its effect on magnetic properties of Nd sub 6 sub 0 Al sub 1 sub 0 Fe sub 2 sub 0 Co sub 1 sub 0 bulk metallic glass

CERN Document Server

Lei Xia; Pan, M X; Zhao, D Q; Wang, W H; Dong, Y D

2003-01-01

The thermal stability of nanocrystalline clusters, the phase evolution, and their effects on magnetic properties were studied for as-cast Nd sub 6 sub 0 Al sub 1 sub 0 Fe sub 2 sub 0 Co sub 1 sub 0 alloy using differential scanning calorimetry curves, x-ray diffraction patterns, scanning electron microscopy, and high-resolution transition electron microscopy. Thermomagnetic curves and hysteresis loops of the bulk metallic glass were measured during the annealing process. The high thermostability of the hard magnetic properties of the samples observed is attributed to the stability of the nanocrystalline clusters upon annealing, while the slight enhancement in the magnetization is due to the precipitation of some Nd-rich metastable phases. The mechanism of thermostability of the nanocrystalline clusters and the formation of the metastable phases are discussed.

Stability of the composites: NiAl - cellular high-melting point metal

International Nuclear Information System (INIS)

Belomyttsev, M.Yu.; Kozlov, D.A.

2006-01-01

For sintered composite materials (CM) NiAl-W and NiAl-W-Mo the structure and mechanical properties are studied. A comparative analysis of the effect of hot deformation by compression at 1000-1300 Deg C on the integrity of microsamples themselves and tungsten shells of NiAl granules in CM with a cellular structure is accomplished. Local chemical composition of a NiAl/refractory metal interface in CM with cellular structure and free of it is determined. A CM structural state effect on compression yield strength at 1000 Deg C is estimated. The treatment is proposed which permits approaching cellular structured CM oxidation resistance at 1000-1100 Deg C to the level of heat stability of unalloyed NiAl or its alloy with Hf [ru

Nickel and binary metal mixture responses in Daphnia magna: Molecular fingerprints and (sub)organismal effects

International Nuclear Information System (INIS)

Vandenbrouck, Tine; Soetaert, Anneleen; Ven, Karlijn van der; Blust, Ronny; Coen, Wim de

2009-01-01

The recent development of a custom cDNA microarray platform for one of the standard organisms in aquatic toxicology, Daphnia magna, opened up new ways to mechanistic insights of toxicological responses. In this study, the mRNA expression of several genes and (sub)organismal responses (Cellular Energy Allocation, growth) were assayed after short-term waterborne metal exposure. Microarray analysis of Ni-exposed daphnids revealed several affected functional gene classes, of which the largest ones were involved in different metabolic processes (mainly protein and chitin related processes), cuticula turnover, transport and signal transduction. Furthermore, transcription of genes involved in oxygen transport and heme metabolism (haemoglobin, δ-aminolevilunate synthase) was down-regulated. Applying a Partial Least Squares regression on nickel fingerprints and biochemical (sub)organismal parameters revealed a set of co-varying genes (haemoglobin, RNA terminal phosphate cyclase, a ribosomal protein and an 'unknown' gene fragment). An inverse relationship was seen between the mRNA expression levels of different cuticula proteins and available energy reserves. In addition to the nickel exposure, daphnids were exposed to binary mixtures of nickel and cadmium or nickel and lead. Using multivariate analysis techniques, the mixture mRNA expression fingerprints (Ni 2+ + Cd 2+ , Ni 2+ + Pb 2+ ) were compared to those of the single metal treatments (Ni 2+ , Cd 2+ , Pb 2+ ). It was hypothesized that the molecular fingerprints of the mixtures would be additive combinations of the gene transcription profiles of the individual compounds present in the mixture. However, our results clearly showed additionally affected pathways after mixture treatment (e.g. additional affected genes involved in carbohydrate catabolic processes and proteolysis), indicating interactive molecular responses which are not merely the additive sum of the individual metals. These findings, although indicative of

Metal mixture toxicity to aquatic biota in laboratory experiments: Application of the WHAM-F{sub TOX} model

Energy Technology Data Exchange (ETDEWEB)

Tipping, E., E-mail: et@ceh.ac.uk; Lofts, S.

2013-10-15

Highlights: •Metal accumulation by living organisms is successfully simulated with WHAM. •Modelled organism-bound metal provides a measure of toxic exposure. •The toxic potency of individual bound metals is quantified by fitting toxicity data. •Eleven laboratory mixture toxicity data sets were parameterised. •Relatively little variability amongst individual test organisms is indicated. -- Abstract: The WHAM-F{sub TOX} model describes the combined toxic effects of protons and metal cations towards aquatic organisms through the toxicity function (F{sub TOX}), a linear combination of the products of organism-bound cation and a toxic potency coefficient (α{sub i}) for each cation. Organism-bound, metabolically-active, cation is quantified by the proxy variable, amount bound by humic acid (HA), as predicted by the WHAM chemical speciation model. We compared published measured accumulations of metals by living organisms (bacteria, algae, invertebrates) in different solutions, with WHAM predictions of metal binding to humic acid in the same solutions. After adjustment for differences in binding site density, the predictions were in reasonable line with observations (for logarithmic variables, r{sup 2} = 0.89, root mean squared deviation = 0.44), supporting the use of HA binding as a proxy. Calculated loadings of H{sup +}, Al, Cu, Zn, Cd, Pb and UO{sub 2} were used to fit observed toxic effects in 11 published mixture toxicity experiments involving bacteria, macrophytes, invertebrates and fish. Overall, WHAM-F{sub TOX} gave slightly better fits than a conventional additive model based on solution concentrations. From the derived values of α{sub i}, the toxicity of bound cations can tentatively be ranked in the order: H < Al < (Zn–Cu–Pb–UO{sub 2}) < Cd. The WHAM-F{sub TOX} analysis indicates much narrower ranges of differences amongst individual organisms in metal toxicity tests than was previously thought. The model potentially provides a means to

Half metallicity in bare BC{sub 2}N nanoribbons with zigzag edges

Energy Technology Data Exchange (ETDEWEB)

Li, Hong, E-mail: lihong@ncut.edu.cn [College of Mechanical and Material Engineering, North China University of Technology, Beijing 100144 (China); Xiao, Xiang; Tie, Jun [College of Mechanical and Material Engineering, North China University of Technology, Beijing 100144 (China); Lu, Jing [State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China)

2017-06-09

We study the electronic and magnetic properties of bare zigzag BC{sub 2}N nanoribbons (ZBC{sub 2}NNRs) by using first principles calculations. The ZBC{sub 2}NNRs which we studied are assigned to four edge types, and we carefully examine the size effect and edge magnetic coupling orders. We find that the N edge and the C edge adjacent to N atoms have a ferromagnetic coupling, while the B edge and the C edge adjacent to B atoms have an anti-ferromagnetic coupling. These novel properties arise from the unsaturated edge with specific edge determined magnetic moment distribution. All the investigated ribbons exhibit magnetic ground states with room-temperature accessible half-metallic character, irrespective of the ribbon width. Our results suggest that ZBC{sub 2}NNRs can have potential applications in spintronics. - Highlights: • DFT study on bare zigzag BC{sub 2}N nanoribbons (ZBC{sub 2}NNRs). • All the studied bare ZBC{sub 2}NNRs are half-metals at room temperature. • The half-metal characters come from specific spin couplings on the edge atoms. • We predict bare ZBC{sub 2}NNRs as practical candidate for spintronics.

Semiconducting La{sub 2}AuP{sub 3}, the metallic conductor Ce{sub 2}AuP{sub 3}, and other rare-earth gold phosphides Ln{sub 2}AuP{sub 3} with two closely related crystal structures

Energy Technology Data Exchange (ETDEWEB)

Eschen, M.; Kotzyba, G.; Kuennen, B.; Jeitschko, W. [Anorganisch-Chemisches Inst. der Westfaelischen Wilhelms-Univ., Muenster (Germany)

2001-07-01

The compounds Ln{sub 2}AuP{sub 3} were synthesized by reaction of the elemental components in evacuated silica tubes. Their crystal structures were determined from single-crystal diffractometer data. The compounds with Ln = La, Ce, and Pr crystallize with an orthorhombic U{sub 2}NiC{sub 3} type structure (Pnma, Z = 4). The structure refinement for Ce{sub 2}AuP{sub 3} resulted in a = 774.14(6) pm, b = 421.11(4) pm, c = 1612.3(1) pm, R = 0.019 for 1410 structure factors and 38 variable parameters. For Pr{sub 2}AuP{sub 3} a residual of R = 0.024 was obtained. Nd{sub 2}AuP{sub 3} crystallizes with a monoclinic distortion of this structure: P2{sub 1}/c, Z = 4, a = 416.14(4) pm, b = 768.87(6) pm, c = 1647.1(2) pm, {beta} = 104.06(1) , R = 0.022 for 1361 F values and 56 variables. The near-neighbor coordinations of the two structures are nearly the same. In both structures the gold and phosphorus atoms form two-dimensionally infinite nets, where the gold atoms are tetrahedrally coordinated by phosphorus atoms with Au-P distances varying between 245.8 and 284.2 pm. Two thirds of the phosphorus atoms form pairs with single-bond distances varying between 217.7 and 218.9 pm. Thus, using oxidation numbers the structures can be rationalized with the formulas (Ln{sup +3}){sub 2}[AuP{sub 3}]{sup -6} and (Ln{sup +3}){sub 2}Au{sup +1}(P{sub 2}){sup -4}P{sup -3}. Accordingly, La{sub 2}AuP{sub 3} is a diamagnetic semiconductor. Pr{sub 2}AuP{sub 3} is semi-conducting with an antiferromagnetic ground state, showing metamagnetism with a critical field of B{sub c} = 0.5({+-}0.1) T. In contrast, the cerium compound is a metallic conductor, even though its cell volume indicates that the cerium atoms are essentially trivalent, as is also suggested by the ferro- or ferrimagnetic behavior of the compound. (orig.)

Electrochemical and metallurgical characterization of ZrCr{sub 1-x}NiMo{sub x} AB{sub 2} metal hydride alloys

Energy Technology Data Exchange (ETDEWEB)

Erika, Teliz [Universidad de la República, Facultad de Ciencias, Laboratorio de Electroquímica Fundamental, Núcleo Interdisciplinario Ingeniería Electroquímica, Igua 4225, CP 11400 Montevideo (Uruguay); Ricardo, Faccio [Universidad de la República, Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Centro NanoMat, Polo Tecnológico de Pando, Espacio Interdisciplinario, Facultad de Química, Montevideo (Uruguay); Fabricio, Ruiz [Consejo Nacional de Investigaciones Científicas y Técnicas , CONICET, Av. Rivadavia 1917, C1033AAJ Ciudad de Buenos Aires (Argentina); Centro Atómico Bariloche , Comisión Nacional de Energía Atómica (CAB-CNEA), Av. Bustillo 9500, CP 8400 S.C. de Bariloche, RN (Argentina); Fernando, Zinola [Universidad de la República, Facultad de Ciencias, Laboratorio de Electroquímica Fundamental, Núcleo Interdisciplinario Ingeniería Electroquímica, Igua 4225, CP 11400 Montevideo (Uruguay); and others

2015-11-15

The effects of partial replacement of chromium by molybdenum was studied on the structure and electrochemical kinetic properties of ZrCr{sub 1-x}NiMo{sub x}(x = 0.0, 0.3 and 0.6) metal hydride alloys. The arc-melting prepared alloys were metallurgically characterized by X-ray diffraction and energy dispersive spectroscopy microanalysis, which showed AB{sub 2} (with hexagonal C14 structure) and Zr{sub x}Ni{sub y} (Zr{sub 7}Ni{sub 10}, Zr{sub 9}Ni{sub 11}) phases. After a partial substitution of chromium by molybdenum, secondary phases monotonically increase with the C14 unit cell volume indicating that most of molybdenum atoms locate in the B-site. The alloys were electrochemically characterized using charge/discharge cycling, electrochemical impedance spectroscopy and rate capability experiments that allowed the determination of hydriding reaction kinetic parameters. The presence of molybdenum produces a positive effect for hydrogen diffusion in the alloy lattice, and ZrCr{sub 0.7}NiMo{sub 0.3} alloy depicts the better kinetics associated with a fast activation, lower charge transfer resistance and the best high rate discharge behavior. This fact would be related to a lower diffusion time constant and a bigger value of the product between exchange density current and surface active area. There is a trade-off in the amounts of secondary phase and Laves phases in order to improve the kinetic performance. - Highlights: • Metallurgical characterization evidences the presence of Zr{sub x}Ni{sub y} and C14 phases. • The partial replacement of Cr by Mo promotes the segregation of Zr{sub x}Ni{sub y} phase. • The incorporation of molybdenum improves the kinetics for the hydriding process. • Mo produces a decrease in the diffusion time constant.

Low leakage stoichiometric SrTiO{sub 3} dielectric for advanced metal-insulator-metal capacitors

Energy Technology Data Exchange (ETDEWEB)

Popovici, Mihaela; Kaczer, Ben; Redolfi, Augusto; Elshocht, Sven van; Jurczak, Malgorzata [imec Belgium, Leuven (Belgium); Afanas' ev, Valeri V. [Department of Physics and Astronomy, KU Leuven (Belgium); Sereni, Gabriele [DISMI, Universita degli Studi di Modena e Reggio Emilia, (Italy); Larcher, Luca [DISMI, Universita degli Studi di Modena e Reggio Emilia, (Italy); MDLab, Saint Christophe (Italy)

2016-05-15

Metal-insulator-metal capacitors (MIMCAP) with stoichiometric SrTiO{sub 3} dielectric were deposited stacking two strontium titanate (STO) layers, followed by intermixing the grain determining Sr-rich STO seed layer, with the Ti-rich STO top layer. The resulted stoichiometric SrTiO{sub 3} would have a structure with less defects as demonstrated by internal photoemission experiments. Consequently, the leakage current density is lower compared to Sr-rich STO which allow further equivalent oxide thickness downscaling. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Comparison of Semiconducting and Metallic Carbon Nanotubes Incorporating In{sub 2}S{sub 3}/In{sub 2}O{sub 3} Photoelectrochemical Cells

Energy Technology Data Exchange (ETDEWEB)

Kim, Heesoo; Lee, Jongtaek; Park, Taehee; Lee, Junyoung; Yang, Jonghee; Yi, Whikun [Hanyang University, Seoul (Korea, Republic of); Ahn, Sang Jung [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

2016-08-15

We fabricate photoelectrochemical cells (PECs) using In{sub 2}S{sub 3}/In{sub 2}O3{sub d}ouble-layer composite as a working electrode in the presence of single-walled carbon nanotubes (SWCNTs). Simple solution methods, such as spray-coating and chemical bath deposition, were used to assemble each layer in the PECs. We apply pristine SWCNTs, semiconducting SWCNTs (s-SWCNTs), and metallic SWCNTs (m-SWCNTs) to the PECs, and measure their solar performances, incident photon to charge carrier efficiency, and electroimpedance spectra. Field emission is also measured to explain the enhanced electric field of each cell.

Formation of TiC/Al{sub 2}O{sub 3} composites from metal-polymer-precursors

Energy Technology Data Exchange (ETDEWEB)

Jost, H.; Braun, M.; Staedler, C. [Technische Univ. Berlin (Germany). Inst. fuer Nichtmetallische Werkstoffe

2002-07-01

A new synthesis route for TiC/Al{sub 2}O{sub 3} materials was developed starting from a mixed metal-polymer precursor. The Precursor was prepared from aluminium nitrate, titantetrachloride and polymethacrylic acid dissolved in a solvent in order to achieve a high homogeneity of the precursor reactants. (orig.)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-08-15

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

On a New Theoretical Framework for RR Lyrae Stars. II. Mid-infrared Period–Luminosity–Metallicity Relations

Energy Technology Data Exchange (ETDEWEB)

Neeley, Jillian R.; Marengo, Massimo; Trueba, Nicolas [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Bono, Giuseppe; Braga, Vittorio F.; Magurno, Davide [Department of Physics, Università di Roma Tor Vergara, via della Ricerca Scientifica 1, I-00133 Roma (Italy); Dall’Ora, Massimo; Marconi, Marcella [INAF-Osservatorio Astronomico di Capodimonte, Salita Moiarello 16, I-80131 Napoli (Italy); Tognelli, Emanuele; Moroni, Pier G. Prada [Dipartimento di Fisica, Università di Pisa, Lago Bruno Pontecorvo 3, I-56127, Pisa (Italy); Beaton, Rachael L.; Madore, Barry F.; Seibert, Mark [Carnegie Observatories, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Freedman, Wendy L. [Department of Astronomy and Astrophysics, University of Chicago, Chicago, IL 60637 (United States); Monson, Andrew J. [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); Scowcroft, Victoria [Department of Physics, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Stetson, Peter B., E-mail: jrneeley@iastate.edu [NRC-Herzberg, Dominion Astrophysical Observatory, 5071 West Saanich Road, Victoria BC V9E 2E7 (Canada)

2017-06-01

We present new theoretical period–luminosity–metallicity (PLZ) relations for RR Lyræ stars (RRLs) at Spitzer and WISE wavelengths. The PLZ relations were derived using nonlinear, time-dependent convective hydrodynamical models for a broad range of metal abundances ( Z = 0.0001–0.0198). In deriving the light curves, we tested two sets of atmospheric models and found no significant difference between the resulting mean magnitudes. We also compare our theoretical relations to empirical relations derived from RRLs in both the field and in the globular cluster M4. Our theoretical PLZ relations were combined with multi-wavelength observations to simultaneously fit the distance modulus, μ {sub 0}, and extinction, A {sub V}, of both the individual Galactic RRL and of the cluster M4. The results for the Galactic RRL are consistent with trigonometric parallax measurements from Gaia ’ s first data release. For M4, we find a distance modulus of μ {sub 0} = 11.257 ± 0.035 mag with A {sub V}= 1.45 ± 0.12 mag, which is consistent with measurements from other distance indicators. This analysis has shown that, when considering a sample covering a range of iron abundances, the metallicity spread introduces a dispersion in the PL relation on the order of 0.13 mag. However, if this metallicity component is accounted for in a PLZ relation, the dispersion is reduced to ∼0.02 mag at mid-infrared wavelengths.

Paramagnetic susceptibility of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} metallic glass subjected to high-pressure torsion deformation

Energy Technology Data Exchange (ETDEWEB)

Korolev, A.V., E-mail: korolyov@imp.uran.ru [Institute of Metal Physics of the Ural Branch RAS, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation); Kourov, N.I. [Institute of Metal Physics of the Ural Branch RAS, Ekaterinburg (Russian Federation); Pushin, V.G. [Institute of Metal Physics of the Ural Branch RAS, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation); Gunderov, D.V. [Saint-Petersburg State University, Saint-Petersburg (Russian Federation); Ufa State Aviation Technical University, Ufa (Russian Federation); Boltynjuk, E.V.; Ubyivovk, E.V. [Saint-Petersburg State University, Saint-Petersburg (Russian Federation); Valiev, R.Z. [Saint-Petersburg State University, Saint-Petersburg (Russian Federation); Ufa State Aviation Technical University, Ufa (Russian Federation)

2017-09-01

Highlights: • Zr-based BMG was subjected to HPT at temperatures of 20 °C and 150 °C. • Magnetic measurements reveal well recordable changes in paramagnetic susceptibility. • Paramagnetic susceptibility may be an indicator of a change in the structural state. - Abstract: The Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glass is studied in the as-cast state and in the state after processing by high-pressure torsion at temperatures of 20 °C and 150 °C. According to the data from X-ray diffraction and transmission electron microscopy, the structural state of the samples depends weakly on the conducted processing. At the same time, magnetic measurements reveal well recordable changes in paramagnetic susceptibility induced by the processing of the samples. It is assumed that, because of high-pressure torsion deformation, there occurs a noticeable change in the material electronic structure, which leads to a change in the full susceptibility of the samples. The performed studies demonstrate that paramagnetic susceptibility may be an indicator of a change in the structural state of paramagnetic amorphous metallic substances.

Cooling rate dependence of simulated Cu{sub 64.5}Zr{sub 35.5} metallic glass structure

Energy Technology Data Exchange (ETDEWEB)

Ryltsev, R. E. [Institute of Metallurgy, Ural Branch of Russian Academy of Sciences, 101 Amundsen Str., 620016 Ekaterinburg (Russian Federation); Ural Federal University, 19 Mira Str., 620002 Ekaterinburg (Russian Federation); L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, 2 Kosygina Str., 119334 Moscow (Russian Federation); Klumov, B. A. [L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, 2 Kosygina Str., 119334 Moscow (Russian Federation); Aix-Marseille-Université, CNRS, Laboratoire PIIM, UMR 7345, 13397 Marseille Cedex 20 (France); High Temperature Institute, Russian Academy of Sciences, 13/2 Izhorskaya Str., 125412 Moscow (Russian Federation); Chtchelkatchev, N. M. [Institute of Metallurgy, Ural Branch of Russian Academy of Sciences, 101 Amundsen Str., 620016 Ekaterinburg (Russian Federation); L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, 2 Kosygina Str., 119334 Moscow (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutskiy Per., Dolgoprudny, 141700 Moscow Region (Russian Federation); All-Russia Research Institute of Automatics, 22 Sushchevskaya, 127055 Moscow (Russian Federation); Shunyaev, K. Yu. [Institute of Metallurgy, Ural Branch of Russian Academy of Sciences, 101 Amundsen Str., 620016 Ekaterinburg (Russian Federation); Ural Federal University, 19 Mira Str., 620002 Ekaterinburg (Russian Federation)

2016-07-21

Using molecular dynamics simulations with embedded atom model potential, we study structural evolution of Cu{sub 64.5}Zr{sub 35.5} alloy during the cooling in a wide range of cooling rates γ ∈ (1.5 ⋅ 10{sup 9}, 10{sup 13}) K/s. Investigating short- and medium-range orders, we show that the structure of Cu{sub 64.5}Zr{sub 35.5} metallic glass essentially depends on cooling rate. In particular, a decrease of the cooling rate leads to an increase of abundances of both the icosahedral-like clusters and Frank-Kasper Z16 polyhedra. The amounts of these clusters in the glassy state drastically increase at the γ{sub min} = 1.5 ⋅ 10{sup 9} K/s. Analysing the structure of the glass at γ{sub min}, we observe the formation of nano-sized crystalline grain of Cu{sub 2}Zr intermetallic compound with the structure of Cu{sub 2}Mg Laves phase. The structure of this compound is isomorphous with that for Cu{sub 5}Zr intermetallic compound. Both crystal lattices consist of two types of clusters: Cu-centered 13-atom icosahedral-like cluster and Zr-centered 17-atom Frank-Kasper polyhedron Z16. That suggests the same structural motifs for the metallic glass and intermetallic compounds of Cu–Zr system and explains the drastic increase of the abundances of these clusters observed at γ{sub min}.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-11-15

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

Optically-controlled platforms for transfection and single- and sub-cellular surgery

DEFF Research Database (Denmark)

Villangca, Mark Jayson; Casey, Duncan; Glückstad, Jesper

2015-01-01

and specificity of optical trapping in conjunction with other modalities to perform single and sub-cellular surgery. These tools form highly tuneable platforms for the delivery or removal of material from cells of interest, but can simultaneously excite fluorescent probes for imaging purposes or plasmonic...... structures for very local heating. We discuss both the history and recent applications of the field, highlighting the key findings and developments over the last 40 years of biophotonics research....

THE GAS PHASE MASS METALLICITY RELATION FOR DWARF GALAXIES: DEPENDENCE ON STAR FORMATION RATE AND HI GAS MASS

Energy Technology Data Exchange (ETDEWEB)

Jimmy; Tran, Kim-Vy [George P. and Cynthia W. Mitchell Institute for Fundamental Physics and Astronomy, Department of Physics and Astronomy, Texas A and M University, College Station, TX 77843 (United States); Saintonge, Amélie; Accurso, Gioacchino [Department of Physics and Astronomy, University College London, Gower Place, London WC1E 6BT (United Kingdom); Brough, Sarah; Oliva-Altamirano, Paola [Australian Astronomical Observatory, P.O. Box 915, North Ryde, NSW 1670 (Australia)

2015-10-20

Using a sample of dwarf galaxies observed using the VIMOS IFU on the Very Large Telescope, we investigate the mass–metallicity relation (MZR) as a function of star formation rate (FMR{sub SFR}) as well as HI-gas mass (FMR{sub HI}). We combine our IFU data with a subsample of galaxies from the ALFALFA HI survey crossmatched to the Sloan Digital Sky Survey (SDSS) to study the FMR{sub SFR} and FMR{sub HI} across the stellar mass range 10{sup 6.6}–10{sup 8.8} M{sub ⊙}, with metallicities as low as 12 + log(O/H) = 7.67. We find the 1σ mean scatter in the MZR to be 0.05 dex. The 1σ mean scatter in the FMR{sub SFR} (0.02 dex) is significantly lower than that of the MZR. The FMR{sub SFR} is not consistent between the IFU observed galaxies and the ALFALFA/SDSS galaxies for SFRs lower than 10{sup −2.4} M{sub ⊙} yr{sup −1}, however, this could be the result of limitations of our measurements in that regime. The lowest mean scatter (0.01 dex) is found in the FMR{sub HI}. We also find that the FMR{sub HI} is consistent between the IFU observed dwarf galaxies and the ALFALFA/SDSS crossmatched sample. We introduce the fundamental metallicity luminosity counterpart to the FMR, again characterized in terms of SFR (FML{sub SFR}) and HI-gas mass (FML{sub HI}). We find that the FML{sub HI} relation is consistent between the IFU observed dwarf galaxy sample and the larger ALFALFA/SDSS sample. However, the 1σ scatter for the FML{sub HI} relation is not improved over the FMR{sub HI} scenario. This leads us to conclude that the FMR{sub HI} is the best candidate for a physically motivated fundamental metallicity relation.

On the kinetic and thermodynamic fragility of the Pt{sub 60}Cu{sub 16}Co{sub 2}P{sub 22} and Pt{sub 57.3}Cu{sub 14.6}Ni{sub 5.3}P{sub 22.8} bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Gallino, Isabella, E-mail: i.gallino@mx.uni-saarland.de [Saarland University, Department of Materials Science and Engineering, Campus C6.3, 66123 Saarbruecken (Germany); Gross, Oliver [Saarland University, Department of Materials Science and Engineering, Campus C6.3, 66123 Saarbruecken (Germany); Dalla Fontana, Giulia [Department of Chemistry IFM and NIS, University of Torino, V. Giuria 7, 10125 Torino (Italy); Evenson, Zach; Busch, Ralf [Saarland University, Department of Materials Science and Engineering, Campus C6.3, 66123 Saarbruecken (Germany)

2014-12-05

Highlights: • The studied Pt–Cu–(Ni,Co)–P glasses are more fragile than Zr-based alloys. • They show large increases in the C{sub p} at T{sub g} and small barriers for cooperative rearrangements of atoms. • They have fragility parameters among the lowest reported for BMG systems (D{sup *} = 10–12). • They crystallize into a state that melts with distinctly high entropy of fusion. • The microscopic origin of their fragility seems different than that for Zr- and Pd-based BMGs. - Abstract: The investigations in this study focus on bulk metallic glass (BMG) alloy families based on noble metals like Pt, which are more kinetically fragile than Zr-based BMG systems. Thermophysical properties have been investigated by calorimetry and thermal mechanical analyses for the determination of the specific heat capacity and viscosity, respectively. For the Pt{sub 60}Cu{sub 16}Co{sub 2}P{sub 22} and Pt{sub 57.3}Cu{sub 14.6}Ni{sub 5.3}P{sub 22.8} BMG compositions consistent Vogel–Fulcher–Tammann (VFT) fits of the viscosity measurements are established, and the temperature dependence of the configurational entropy is calculated from thermodynamic data. Fits to the Adam–Gibbs equation are performed using this configurational entropy change. Their fragile nature is compared to that of Zr-based alloys in terms of structural considerations.

Gas atomization processing of tin and silicon modified LaNi<sub>5sub> 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>5sub> alloys for battery applications. These studies involved LaNi<sub>5sub> 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>5sub> alloy powder for further processing advantage. Gas atomization processing of the AB<sub>5sub> 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>5sub> alloys using the new HPGA technology could reduce manufacturing cost of nickel-metal hydride powder. In the near future, the manufacture of AB<sub>5sub> alloy powders could become a continuous and rapid production process. The economic benefit of an improved AB<sub>5sub> production process may thereby encourage the use of nickel-metal hydride rechargeable batteries in electrical vehicle

Cooling rate dependence of structural order in Al{sub 90}Sm{sub 10} metallic glass

Energy Technology Data Exchange (ETDEWEB)

Sun, Yang [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Ames Laboratory, US Department of Energy, Ames, Iowa 50011 (United States); Zhang, Yue; Zhang, Feng, E-mail: fzhang@ameslab.gov; Ye, Zhuo [Ames Laboratory, US Department of Energy, Ames, Iowa 50011 (United States); Ding, Zejun [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Wang, Cai-Zhuang [Ames Laboratory, US Department of Energy, Ames, Iowa 50011 (United States); Department of Physics, Iowa State University, Ames, Iowa 50011 (United States); Ho, Kai-Ming [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Ames Laboratory, US Department of Energy, Ames, Iowa 50011 (United States); Department of Physics, Iowa State University, Ames, Iowa 50011 (United States); International Center for Quantum Design of Functional Materials (ICQD), and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2016-07-07

The atomic structure of Al{sub 90}Sm{sub 10} metallic glass is studied using molecular dynamics simulations. By performing a long sub-T{sub g} annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that “3661” cluster is the dominating short-range order in the glass samples. The connection and arrangement of “3661” clusters, which define the medium-range order in the system, are enhanced significantly in the sub-T{sub g} annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu{sub 64.5}Zr{sub 35.5}, the clusters representing the short-range order do not form an interconnected interpenetrating network in Al{sub 90}Sm{sub 10,} which has only marginal glass formability.

M<sub>5sub>Si>3sub>(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>5sub>Si>3sub>-based alloys was investigated. Oxidation behavior of Ti<sub>5sub>Si>3sub>-based alloy strongly depends on the atmosphere. Presence of Nitrogen alters the oxidation behavior of Ti<sub>5sub>Si>3sub> by nucleation and growth of nitride subscale. Ti<sub>5sub>Si>3.2sub>and Ti<sub>5sub>Si>3sub>C>0.5sub> alloys exhibited an excellent oxidation resistance in nitrogen bearing atmosphere due to limited dissolution of nitrogen and increased Si/Ti activity ratio. MoSi<sub>2sub> 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+Mo<sub>3sub>Si region showed the possibility to extend the coating lifetime above 1500 C by more than ten times via formation of slow growing Mo<sub>3sub>Si 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 Nb<sub>ss> (solid solution) and NbB are the only two primary phases in the 0-40 at.% B composition range, and the eutectic reaction L {leftrightarrow} Nb<sub>SS> + NbB was determined to occur at 2104 ± 5 C by DTA.

A comprehensive review of metal-induced cellular transformation studies.

Science.gov (United States)

Chen, Qiao Yi; Costa, Max

2017-09-15

In vitro transformation assays not only serve practical purposes in screening for potential carcinogenic substances in food, drug, and cosmetic industries, but more importantly, they provide a means of understanding the critical biological processes behind in vivo cancer development. In resemblance to cancer cells in vivo, successfully transformed cells display loss of contact inhibition, gain of anchorage independent growth, resistant to proper cell cycle regulation such as apoptosis, faster proliferation rate, potential for cellular invasion, and ability to form tumors in experimental animals. Cells purposely transformed using metal exposures enable researchers to examine molecular changes, dissect various stages of tumor formation, and ultimately elucidate metal induced cancer mode of action. For practical purposes, this review specifically focuses on studies incorporating As-, Cd-, Cr-, and Ni-induced cell transformation. Through investigating and comparing an extensive list of studies using various methods of metal-induced transformation, this review serves to bridge an information gap and provide a guide for avoiding procedural discrepancies as well as maximizing experimental efficiency. Copyright © 2017 Elsevier Inc. All rights reserved.

Mechanism of protodesorption—exchange of heavy metal cations for protons in a heterophase system of H{sub 2}O–H{sub 2}SO{sub 4}–MSO{sub 4}—cellulose sorbent

Energy Technology Data Exchange (ETDEWEB)

Kozlov, V.A.; Nikiforova, T.E., E-mail: tatianaenik@mail.ru; Loginova, V.A.; Koifman, O.I.

2015-12-15

Highlights: • Protodesorption takes place with participation of anions. • The interphase indicator MSO{sub 4} is used in ion exchange investigation. • In ion exchange process salt and acid participate in equivalent proportions. • In a protodesorption process proton acts in degree of ½. • M{sup 2+}/2Na{sup +} and M{sup 2+}/2H{sup +} exchanges take place in ion and molecular forms. - Abstract: The influence of pH on the distribution of metal cations [Cd(II), Cu(II), Fe(II), Ni(II), Zn(II)] in a four-component heterophase system (H{sub 2}O–H{sub 2}SO{sub 4}–MSO{sub 4}–cellulose sorbent) was studied. Protodesorption of metal cations was studied with indicator and constant quantities of [MSO{sub 4}] salts and constant solvent–sorbent ratio. Linear dependence lgK{sub DM2+} = f(pH) with tgα = 1/2 of the K{sub DM2+} metal ions distribution coefficients from the acidity of the aqueous phase is observed in logarithmic coordinates. Depression of the exponent corresponding to proton involvement in protodesorption from 2 (theory) to 0.5 (experiment) indicates that anions of the aqueous phase are involved in the process of exchange of metal cation for proton on the anionic centers of the sorbent, which corresponds to participation of the salt and acid components of the system in molecular non-dissociated form in an equivalent proportion H{sub 2}SO{sub 4}/MSO{sub 4} = 1/1. Different behavior of the salt and acid components in ion exchange of cations for cations and cations for protons is due to the differences in the constraint coefficients of their molecular and ionic forms which must be taken into consideration in equations describing thermodynamics of the interphase exchange.

Characterization of RuO sub 2 electrodes for ferroelectric thin films prepared by metal-organic chemical-vapor deposition using Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3

CERN Document Server

Lee, J M; Shin, J C; Hwang, C S; Kim, H J; Suk, C G

1999-01-01

Pure and conducting RuO sub 2 thin films were deposited on Si substrates at 250 approx 450 .deg. C using Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3 as a precursor by low-pressure metal-organic chemical-vapor deposition (LP-MOCVD). At a lower deposition temperature,smoother and denser RuO sub 2 thin films were deposited. The RuO sub 2 thin films, which were crack free, adhered well onto the substrates and showed very low resistivities around 45 approx 60 mu OMEGA cm. RuO sub 2 thin films on (Ba, Sr)/TiO sub 3 /Pt/SiO sub 2 /Si showed good properties, indicating that MOCVD RuO sub 2 thin films from Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3 can be applied as electrodes of high-dielectric thin films for capacitors in ultra-large-scale DRAMs.

The ternary post-transition metal carbodiimide SrZn(NCN){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Corkett, Alex J.; Konze, Philipp M. [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany); Dronskowski, Richard [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany); Juelich-Aachen Research Alliance (JARA-HPC), RWTH-Aachen University, Aachen (Germany)

2017-11-17

SrZn(NCN){sub 2}, the first example of a ternary post-transition metal carbodiimide, was prepared by a solid-state metathesis reaction. The crystal structure was solved from PXRD data and found to adopt the orthorhombic (Cmcm) BaZnSO structure, a high symmetry modification of that expressed by the oxide analogue SrZnO{sub 2}. Locally, SrZn(NCN){sub 2} features ZnN{sub 4} tetrahedra and SrN{sub 6} trigonal prisms similar to those in quarternary LiSr{sub 2}M(NCN){sub 4} (M = Al{sup 3+} and Ga{sup 3+}) phases, however, the overall topologies are distinct with single chains in the former and double chains in the latter. Electronic structure calculations indicate an indirect bandgap of about 2.95 eV in SrZn(NCN){sub 2}, slightly lower than the experimentally observed bandgap of 3.4 eV in SrZnO{sub 2} and consistent with a greater degree of covalency. The structural similarities between SrZn(NCN){sub 2} and oxychalcogenide analogues highlight the pseudochalcogenide character of NCN{sup 2-} and suggest that the title compound may serve as a template for accessing novel ternary carbodiimides featuring tetrahedrally coordinated transition metals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Magnetism in ordered metallic perovskite compound GdPd{sub 3}B{sub x}C{sub 1-x}

Energy Technology Data Exchange (ETDEWEB)

Pandey, Abhishek [S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India)], E-mail: abhishek.phy@gmail.com; Mazumdar, Chandan [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India)], E-mail: chandan.mazumdar@saha.ac.in; Ranganathan, R. [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Dattagupta, S. [Indian Institute of Science Education and Research, Block-HC, Sector-III, Salt Lake, Kolkata 700106 (India)

2009-08-15

We report results of dc-magnetization, ac-susceptibility and magnetoresistance measurements on crystalline metallic-perovskite compounds GdPd{sub 3}B{sub x}C{sub 1-x} (x=0.25, 0.50, 0.75 and 1.00) and the parent cubic compound GdPd{sub 3}. The interest in these materials stems from the observation of negative temperature coefficient of resistance and negative thermal expansion in some of the members of this series. In the present study, we show that by substitution of non-magnetic elements, boron and carbon, the nature of the magnetic interaction can be varied from dominating ferromagnetic to antiferromagnetic and finally to a canted magnetic structure without altering the crystal symmetry of the compounds. The variation of magnetic interaction by modifying the lattice parameter resembles Ruderman-Kittel-Kasuya-Yosida (RKKY) oscillations.

Density functional theory based study of chlorine doped WS{sub 2}-metal interface

Energy Technology Data Exchange (ETDEWEB)

Chanana, Anuja; Mahapatra, Santanu, E-mail: santanu@dese.iisc.ernet.in [NanoScale Device Research Laboratory, Department of Electronic Systems Engineering, Indian Institute of Science, Bengaluru, Karnataka 560012 (India)

2016-03-07

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS{sub 2} with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS{sub 2} supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS{sub 2}.

Structure-property relationship of compounds with pyrite and shandite structure with metal-semiconductor transition in InSnCo{sub 3}S{sub 2}; Struktur-Eigenschafts-Beziehungen von Verbindungen mit Pyrit- und Shanditstruktur mit Metall-Halbleiter-Uebergang in InSnCo{sub 3}S{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Rothballer, Jan

2014-12-23

The aim of this Ph.D thesis is to correlate theoretical calculations and experimental data to understand the building and stabilities of structures to influence the properties due to applications. Properties of compounds are defined by their electronic structures. The electronic structure can be influenced by substitution of elements or even doping. As a matter of fact, electronic design is a basic principle in materials research. It can help to change or switch the electric conductivity or the magnetism of a starting compound. I analyzed compounds with pyrite-type structure and Sn{sub 2}Co{sub 3}S{sub 2} and related compounds to these. Its electronic as well as its crystallographic structure is highly flexible and Sn{sub 2}Co{sub 3}S{sub 2} is a half metallic ferromagnet. By substituting In to Sn one gets a semiconductor due to indium-tin ordering. By doping sulfur against selenium, the magnetism is highly influenced. To verify and to understand these effects I did magnetic, XRD, neutron and conductivity measurements as well as DFT calculations in direct and reciprocal space.

Synthesis, characterization, and chemical bonding analysis of the lithium alkaline-earth metal gallide nitrides Li{sub 2}(Ca{sub 3}N){sub 2}[Ga{sub 4}] and Li{sub 2}(Sr{sub 3}N){sub 2}[Ga{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Pathak, Manisha; Bobnar, Matej; Ormeci, Alim; Hoehn, Peter [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Stoiber, Dominik; Niewa, Rainer [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Ovchinnikov, Alexander [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Department of Chemistry and Biochemistry, University of Delaware, Newark, DE (United States)

2017-11-17

Large single crystals of Li{sub 2}(Ca{sub 3}N){sub 2}[Ga{sub 4}] and Li{sub 2}(Sr{sub 3}N){sub 2}[Ga{sub 4}] up to several mm in size were grown from mixtures of the respective elements and binary alkaline-earth metal nitrides in reactive lithium melts employing a modified high-temperature centrifugation-aided filtration (HTCAF) technique. The main structural features of these isotypic phases are stella quadrangula building units [Ga{sub 4}]Li{sub 4/2} and octahedra (Nae{sub 6/2}), which form two independent interpenetrating networks. The phases crystallize in the η-carbide structure and represent diamagnetic small bandgap semiconductors. Real-space chemical bonding analysis indicates predominantly ionic bonding. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Bandgap engineering of lead-free double perovskite Cs{sub 2}AgBiBr{sub 6} through trivalent metal alloying

Energy Technology Data Exchange (ETDEWEB)

Du, Ke-zhao; Mitzi, David B. [Department of Mechanical Engineering and Materials Science, and Department of Chemistry, Duke University, Durham, NC (United States); Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa [Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, OH (United States)

2017-07-03

The double perovskite family, A{sub 2}M{sup I}M{sup III}X{sub 6}, is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH{sub 3}NH{sub 3}PbI{sub 3}. Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs{sub 2}AgBiBr{sub 6} as host, band-gap engineering through alloying of In{sup III}/Sb{sup III} has been demonstrated in the current work. Cs{sub 2}Ag(Bi{sub 1-x}M{sub x})Br{sub 6} (M=In, Sb) accommodates up to 75 % In{sup III} with increased band gap, and up to 37.5 % Sb{sup III} with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs{sub 2}Ag(Bi{sub 0.625}Sb{sub 0.375})Br{sub 6}. Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Magnetoelectric coupling effect in transition metal modified polycrystalline BiFeO{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Sreenivas Puli, Venkata, E-mail: pvsri123@gmail.com [Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118 (United States); Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00936 (United States); Kumar Pradhan, Dhiren [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00936 (United States); Gollapudi, Sreenivasulu [Department of Physics, Oakland University, Rochester, MI 48309-4401 (United States); Coondoo, Indrani [Department of Materials and Ceramic and CICECO, University of Aveiro, 3810-193 Aveiro (Portugal); Panwar, Neeraj [Department of Physics, Central University of Rajasthan, Bandar Sindri, Kishangarh 305801, Rajasthan (India); Adireddy, Shiva; Chrisey, Douglas B. [Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118 (United States); Katiyar, Ram S. [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00936 (United States)

2014-11-15

Rare-earth (Sm) and transition metal (Co) modified polycrystalline BiFeO{sub 3} (BFO) thin films have been deposited on Pt/TiO{sub 2}/SiO{sub 2}/Si substrate successfully through pulsed laser deposition (PLD) technique. Piezoelectric, leakage current and temperature dependent dielectric and magnetic behaviour were investigated for the films. Typical “butterfly-shaped” loop were observed in BSFCO films with an effective piezoelectric constant (d{sub 33}) ∼94 pm/V at 0.6 MV/cm. High dielectric constant ∼900 and low dielectric loss ∼0.25 were observed at room temperature. M–H loops have shown relatively high saturation magnetization ∼35 emu/cm{sup 3} at a maximum field of H ∼20 kOe. Enhanced magnetoelectric coupling response is observed under applied magnetic field. The multiferroic, piezoelectric, leakage current behaviours were explored. Such studies should be helpful in designing multiferroic materials based on BSFCO films. - Highlights: • Transition metal modified polycrystalline BiFeO{sub 3} thin films prepared using PLD. • High ME-coupling response was observed in co-substituted BiFeO{sub 3} thin films. • High magnetization ∼35 emu/cm{sup 3} at a maximum field of H ∼20 kOe. • Low leakage current might be due to co-substitution in BiFeO{sub 3} thin films. • A notable piezoelectric constant d{sub 33} ∼94 pm/V was found in BiFeO{sub 3} thin films.

Generation of H{sub 2} and CO by solar thermochemical splitting of H{sub 2}O and CO{sub 2} by employing metal oxides

Energy Technology Data Exchange (ETDEWEB)

Rao, C.N.R., E-mail: cnrrao@jncasr.ac.in; Dey, Sunita

2016-10-15

Generation of H{sub 2} and CO by splitting H{sub 2}O and CO{sub 2} respectively constitutes an important aspect of the present-day concerns with energy and environment. The solar thermochemical route making use of metal oxides is a viable means of accomplishing these reduction reactions. The method essentially involves reducing a metal oxide by heating and passing H{sub 2}O or CO{sub 2} over the nonstoichiometric oxide to cause reverse oxidation by abstracting oxygen from H{sub 2}O or CO{sub 2}. While ceria, perovskites and other oxides have been investigated for this purpose, recent studies have demonstrated the superior performance of perovskites of the type Ln{sub 1−x}A{sub x}Mn{sub 1−y}M{sub y}O{sub 3} (Ln=rare earth, A=alkaline earth, M=various +2 and +3 metal ions), in the thermochemical generation of H{sub 2} and CO. We present the important results obtained hitherto to point out how the alkaine earth and the Ln ions, specially the radius of the latter, determine the performance of the perovskites. The encouraging results obtained are exemplefied by Y{sub 0.5}Sr{sub 0.5}MnO{sub 3} which releases 483 µmol/g of O{sub 2} at 1673 K and produces 757 µmol/g of CO from CO{sub 2} at 1173 K. The production of H{sub 2} from H{sub 2}O is also quite appreciable. Modification of the B site ion of the perovskite also affects the performance. In addition to perovskites, we present the generation of H{sub 2} based on the Mn{sub 3}O{sub 4}/NaMnO{sub 2} cycle briefly. - Graphical abstract: Ln{sub 0.5}A{sub 0.5}Mn{sub 1−x}M{sub x}O{sub 3} (Ln=lanthanide; A=Ca, Sr; M=Al, Ga, Sc, Mg, Cr, Fe, Co) perovskites are employed for the two step thermochemical splitting of CO{sub 2} and H{sub 2}O for the generation of CO and H{sub 2}. - Highlights: • Perovskite oxides based on Mn are ideal for the two-step thermochemical splitting of CO{sub 2} and H{sub 2}O. • In Ln{sub 1−x}A{sub x}MnO{sub 3} perovskite (Ln=rare earth, A=alkaline earth) both Ln and A ions play major roles

Metal Monolithic Amine-grafted Zeolite for CO{sub 2} Capture

Energy Technology Data Exchange (ETDEWEB)

Chuang, Steven

2011-03-31

The solid amine sorbent for CO{sub 2} capture process has advantages of simplicity and low operating cost compared to the MEA (monoethanolamine) process. Solid amine sorbents reported so far suffered from either low CO{sub 2} capture capacity or low stability. The solid amine sorbent developed in this project exhibited more than 3.2 mmol/g and degraded less than 10% even after 500 cycles of heating and cooling in absence of steam. The presence of steam further enhanced CO{sub 2} capture capacity. The cost of the sorbent is estimated to be less than $7.00/lb. This sorbent was developed using the results of in situ infrared spectroscopic study. Infrared results showed that CO{sub 2} adsorbs on TEPA (tetraethylenepentamine)/PEG (polyethylene glycol) as carbamates and bicarbonates. The CO{sub 2} adsorption capacity and oxidation resistance of the amine sorbent can be enhanced by the interactions between NH{sub 2} of TEPA molecules with the OH group of PEG molecules. PEG was also found to be effectively disperse and immobilize the aromatic amines for SO{sub 2} adsorption. The infrared study also showed that SiO{sub 2} is a significantly better support than zeolites due to its proper hydrophobicity. The results of this study led to the development of a high performance solid amine sorbent under simulated gas flow condition in a fixed bed, a fluidized bed, and a metal monolith unit. This study showed heat transfer could become a major technical issue in scaling up a fixed bed adsorber. The use of the fluidized bed and metal monoliths can alleviate the heat transfer issue. The metal monolith could be suitable for small scale applications due to the high cost of manufacturing; the fluidized bed mode would be most suitable for large scale applications. Preliminary economic analysis suggested that the Akron solid amine process would cost 45% less than that of MEA process.

The effect of metal-rich growth conditions on the microstructure of Sc{sub x}Ga{sub 1-x}N films grown using molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Tsui, H.C.L.; Moram, M.A. [Department of Materials, Imperial College London (United Kingdom); Goff, L.E. [Department of Materials, Imperial College London (United Kingdom); Department of Physics, University of Cambridge (United Kingdom); Barradas, N.P. [CTN - Centro de Ciencias e Tecnologias Nucleares, Instituto Superior Tecnico, Universidade de Lisboa, Bobadela LRS (Portugal); Alves, E. [IPFN - Instituto de Plasmas e Fusao Nuclear, Lisboa (Portugal); Laboratorio de Aceleradores e Tecnologias de Radiacao, Instituto Superior Tecnico, Universidade de Lisboa, Bobadela LRS (Portugal); Pereira, S. [CICECO and Department of Physics, Universidade de Aveiro (Portugal); Beere, H.E.; Farrer, I.; Nicoll, C.A.; Ritchie, D.A. [Department of Physics, University of Cambridge (United Kingdom)

2015-12-15

Epitaxial Sc{sub x}Ga{sub 1-x}N films with 0 ≤ x ≤ 0.50 were grown using molecular beam epitaxy under metal-rich conditions. The Sc{sub x}Ga{sub 1-x}N growth rate increased with increasing Sc flux despite the use of metal-rich growth conditions, which is attributed to the catalytic decomposition of N{sub 2} induced by the presence of Sc. Microstructural analysis showed that phase-pure wurtzite Sc{sub x}Ga{sub 1-x}N was achieved up to x = 0.26, which is significantly higher than that previously reported for nitrogen-rich conditions, indicating that the use of metal-rich conditions can help to stabilise wurtzite phase Sc{sub x}Ga{sub 1-x}N. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Formation of nanoparticles and defects in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} prepared by the metal organic deposition process

Energy Technology Data Exchange (ETDEWEB)

Goswami, R. [Naval Research Laboratory, Washington, DC 20375 (United States); SAIC, Washington, DC 20003 (United States)], E-mail: goswami@anvil.nrl.navy.mil; Holtz, R.L. [Naval Research Laboratory, Washington, DC 20375 (United States); Rupich, M.W. [American Superconductors Inc., Westborough, MA 01581 (United States); Spanos, G. [Naval Research Laboratory, Washington, DC 20375 (United States)

2007-11-15

Nanoparticles and defects have been investigated using transmission electron microscopy in fully reacted YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} (YBCO), prepared by the metal-organic deposition (MOD) process. Two types of particles, Y{sub 2}O{sub 3} and CuY{sub 2}O{sub 5}, ranging from 10 to 100 nm, have been observed in the YBCO matrix. The YBCO contains a large number of planar defects and a considerable number of (1 1 0) rotational twins. Details of the nanoparticles and defects in the MOD-processed YBCO films are presented in this paper.

Quantum-chemical calculations of the metallofullerene yields in the X@C{sub 74}, L@C{sub 74}, and Z@C{sub 82} series

Energy Technology Data Exchange (ETDEWEB)

Uhlík, Filip [Faculty of Science, Charles University in Prague, Albertov 6, 128 43 Prague 2 (Czech Republic); Slanina, Zdeněk; Nagase, Shigeru [Department of Theoretical Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Aichi (Japan)

2015-01-22

The contribution reports computations for Al@C{sub 82}, Sc@C{sub 82}, Y@C{sub 82} and La@C{sub 82} based on encapsulation into the IPR (isolated pentagon rule) C{sub 2ν} C{sub 82} cage and also on Mg@C{sub 74}, Ca@C{sub 74}, Sr@C{sub 74} and Ba@C{sub 74} based on encapsulation into the only C{sub 74} IPR cage as well as for three selected lanthanoids La@C{sub 74}, Yb@C{sub 74}, and Lu@C{sub 74}. Their structural and energetic characteristics are used for evaluations of the relative production yields, using the encapsulation Gibbs-energy and saturated metal pressures. It is shown that the results can be well related to the ionization potentials of the free metal atoms.

Metal-charge density wave coexistence in TTF[Ni(dmit){sub 2}]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Kaddour, W. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Laboratoire de Physique de la Matière Condensée, Campus Universitaire, Université de Tunis El-Manar, Tunis 2092 (Tunisia); Auban-Senzier, P.; Raffy, H.; Monteverde, M.; Pouget, J.-P. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Pasquier, C.R., E-mail: pasquier@lps.u-psud.fr [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Alemany, P. [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Canadell, E. [Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, 08193 Bellaterra (Spain); Valade, L. [Laboratoire de Chimie de Coordination, Route de Narbonne F-31077 Toulouse (France)

2015-03-01

We have established a new pressure–temperature phase diagram of TTF[Ni(dmit){sub 2}]{sub 2} based on longitudinal and transverse resistivity measurements under pressure up to 30 kbar. We were able to identify three different charge density wave (CDW) states which all coexist with a metallic state in a wide temperature range and superconductivity at the lowest temperatures. At low pressure, two successive CDW transitions have been clearly identified. These two transitions merge into a single one at 12 kbar. A maximum of this unique CDW transition temperature is observed at 19 kbar.

The mercury-richest europium amalgam Eu{sub 10}Hg{sub 55}

Energy Technology Data Exchange (ETDEWEB)

Tambornino, Frank; Hoch, Constantin [Department of Chemistry, Ludwig-Maximilians-Universitaet Muenchen (Germany)

2015-03-15

The mercury-richest europium amalgam Eu{sub 10}Hg{sub 55} was synthesized by isothermal electrocrystallization from a solution of EuI{sub 3}.8DMF in DMF on a reactive mercury cathode. The crystal structure shows remarkable complexity and polar metal-metal bonding. Closely related to the structures of mercury-rich amalgams A{sub 11-x}Hg{sub 55+x} (A = Na, Ca, Sr), it shows underoccupied Hg positions along [00z]. Eu{sub 10}Hg{sub 55} can be described as hettotype structure of the Gd{sub 14}Ag{sub 51} structure type. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Abrupt symmetry decrease in the ThT{sub 2}Al{sub 20} alloys (T = 3d transition metal)

Energy Technology Data Exchange (ETDEWEB)

Uziel, A.; Bram, A.I. [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Venkert, A. [Nuclear Research Center-Negev, POB 9001, Beer-Sheva (Israel); Kiv, A.E.; Fuks, D. [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Meshi, L., E-mail: louisa@bgu.ac.il [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel)

2015-11-05

Th-T-Al system, where T-3d transition metals, was studied at ThT{sub 2}Al{sub 20} stoichiometry to establish the influence of T on the structural stability of ternary aluminide formed. Different alloys were prepared, varying T in the row from Ti to Fe. Using electron microscopy and X-ray diffraction methods it was found that ThT{sub 2}Al{sub 20} phase adopts CeCr{sub 2}Al{sub 20} structure type when T = Ti, V, and Cr. Starting from Mn, the symmetry of the stable Al-rich phase, which forms in the alloys with the same composition, decreases from cubic to orthorhombic. The results of Density Functional Theory (DFT) calculations coincide with experiments. Concepts of the Theory of Coordination Compounds and Jahn–Teller effect were used to explain the observed abrupt change of the symmetry. These considerations were supported by DFT calculations. - Highlights: • Type of transition metal influences symmetry change in the ThT{sub 2}Al{sub 20} alloys. • It was found that cubic ThT{sub 2}Al{sub 20} phase is stable for T = Ti, V and Cr. • When T = Mn, Fe–Al + orthorhombic ThT{sub 2}Al{sub 10} are formed, lowering the symmetry. • Experimental results and DFT calculations were in full agreement. • TCC and of Jahn–Teller effect were used for explanation of the results.

Synthesis of metallic nanoparticles in SiO{sub 2} matrices; Sintesis de nanoparticulas metalicas en matrices de SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gutierrez W, C; Mondragon G, G; Perez H, R; Mendoza A, D [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

Metallic nanoparticles was synthesized in SiO{sub 2} matrices by means of a process of two stages. The first one proceeded via sol-gel, incorporating the metallic precursors to the reaction system before the solidification of the matrix. Later on, the samples underwent a thermal treatment in atmosphere of H{sub 2}, carrying out the reduction of the metals that finally formed to the nanoparticles. Then it was detected the presence of smaller nanoparticles than 20 nm, dispersed and with the property of being liberated easily of the matrix, conserving a free surface, chemically reactive and with response to external electromagnetic radiation. The system SiO{sub 2}-Pd showed an important thermoluminescent response. (Author)

A general approach to homogeneous sub-nanometer metallic particle/graphene composites by S-coordinator

Science.gov (United States)

Wang, Senhao; Wang, Wei; Gu, Shangzhi; Zhang, Guoxin; Song, Ningning

2018-05-01

In this study, sulphur-modified reduced graphene oxide (S-rGO) was employed as substrate to investigate the growth mechanism of metal and metallic nanoparticles (NPs). It is observed that the monodispersed Au, SnO2, FeO(OH) and Co3S4 NPs in sub-nanometer (sub-nm) with narrow size distribution were successfully anchored on S-rGO, respectively. The results indicate that the S contained radicals, viz. the Cdbnd S and Csbnd Ssbnd C functional groups play an important role in determining the homogeneous distribution of NPs on S-rGO by providing active sites for the NPs anchoring and nucleation. In additional, as anode materials for lithium ion batteries (LIBs), the as-synthesized sub-nm sized Co3S4/S-rGO and SnO2/S-rGO composites show excellent Li storage performance. It could be stabilized at ca. 600 mAh/g after formation cycle with the coulombic efficiency of 98%. It is expected that the strategy of growing sub-nm sized metallic component onto graphene by applying sulphur functionalities could be utilized as a general method to prepare monodispersed graphene-based NPs with other metals, especially with transition metals in sub-nm sizes.

A class of monolayer metal halogenides MX{sub 2}: Electronic structures and band alignments

Energy Technology Data Exchange (ETDEWEB)

Lu, Feng; Wang, Weichao; Luo, Xiaoguang; Cheng, Yahui; Dong, Hong; Liu, Hui; Wang, Wei-Hua, E-mail: whwangnk@nankai.edu.cn [Department of Electronics and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300071 (China); Xie, Xinjian [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)

2016-03-28

With systematic first principles calculations, a class of monolayer metal halogenides MX{sub 2} (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI{sub 2} to 6.08 eV of MgCl{sub 2}. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX{sub 2} (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electron (m{sub e}) and hole (m{sub h}) effective masses of MX{sub 2} monolayers are close to their corresponding bulk values except that the m{sub e} of CdI{sub 2} is three times larger and the m{sub h} for PbI{sub 2} is twice larger. Finally, the band alignments of all the studied MX{sub 2} monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX{sub 2} into the emerging two-dimensional materials, but also provide insights into the applications of MX{sub 2} in future electronic, visible and ultraviolet optoelectronic devices.

Biocompatibility study on Ni-free Ti-based and Zr-based bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Li, T.H. [Institute of Material Science and Engineering, National Central University, Taoyuan, Taiwan (China); Wong, P.C. [Department of Biomedical Engineering, National Yang-Ming University, Taipei, Taiwan (China); Chang, S.F. [Department of Mechanical Engineering, National Central University, Taoyuan, Taiwan (China); Tsai, P.H. [Institute of Material Science and Engineering, National Central University, Taoyuan, Taiwan (China); Jang, J.S.C., E-mail: jscjang@ncu.edu.tw [Institute of Material Science and Engineering, National Central University, Taoyuan, Taiwan (China); Department of Mechanical Engineering, National Central University, Taoyuan, Taiwan (China); Huang, J.C. [Department of Materials and Optoelectronic Science, National Sun Yat-Sen University, Kaohsiung, Taiwan (China)

2017-06-01

Safety and reliability are crucial issues for medical instruments and implants. In the past few decays, bulk metallic glasses (BMGs) have drawn attentions due to their superior mechanical properties, good corrosion resistance, antibacterial and good biocompatibility. However, most Zr-based and Ti-based BMGs contain Ni as an important element which is prone to human allergy problem. In this study, the Ni-free Ti-based and Zr-based BMGs, Ti{sub 40}Zr{sub 10}Cu{sub 36}Pd{sub 14}, and Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8}, were selected for systematical evaluation of their biocompatibility. Several biocompatibility tests, co-cultural with L929 murine fibroblast cell line, were carried out on these two BMGs, as well as the comparison samples of Ti6Al4V and pure Cu. The results in terms of cellular adhesion, cytotoxicity, and metallic ion release affection reveal that the Ti{sub 40}Zr{sub 10}Cu{sub 36}Pd{sub 14} BMG and Ti6Al4V exhibit the optimum biocompatibility; cells still being attached on the petri dish with good adhesion and exhibiting the spindle shape after direct contact test. Furthermore, the Ti{sub 40}Zr{sub 10}Cu{sub 36}Pd{sub 14} BMG showed very low Cu ion release level, in agreement with the MTT results. Based on the current findings, it is believed that Ni-free Ti-based BMG can act as an ideal candidate for medical implant. - Highlight: • Ni-free bulk metallic glass is promising material for medical implants. • Ni-free Ti-based BMG presents similar cellular adhesion as Ti6Al4V. • Ni-free Ti-based BMG shows less cytotoxicity, and metallic ion release than Ti6Al4V.

Influence of spark plasma sintering parameters on the mechanical properties of Cu{sub 50}Zr{sub 45}Al{sub 5} bulk metallic glass obtained using metallic glass powder

Energy Technology Data Exchange (ETDEWEB)

Cardinal, S. [Université de Lyon, CNRS (France); INSA-Lyon, MATEIS UMR5510, F-69621 Villeurbanne (France); Pelletier, J.M., E-mail: jean-marc.pelletier@insa-lyon.fr [Université de Lyon, CNRS (France); INSA-Lyon, MATEIS UMR5510, F-69621 Villeurbanne (France); Qiao, J.C. [School of Mechanics, Civil Engineering and Architecture, Northwestern Polytechnical University, Xi’an 710072 (China); Bonnefont, G. [Université de Lyon, CNRS (France); INSA-Lyon, MATEIS UMR5510, F-69621 Villeurbanne (France); Xie, G. [Institute for Materials Research, Tohoku University, Sendai (Japan)

2016-11-20

Gas atomized Cu{sub 50}Zr{sub 45}Al{sub 5} amorphous powder was densified by spark plasma sintering, in order to obtain bulk metallic glasses with larger size than that obtained by the conventional casting strategy. The influence of different parameters was investigated: sintering temperature, isothermal holding time as well as size of the specimens. After optimization of the processing parameters, dense and amorphous specimens were elaborated with a diameter up to 30 mm. Thermal stability and mechanical properties of consolidated samples are similar to those of Cu{sub 50}Zr{sub 45} Al{sub 5} cast alloy. A hardness of 535 HV and a compressive strength of 1600 MPa have been obtained. Fractographic investigation indicated an intergranular rupture mode which leads to lower toughness compared to as the cast material, but for these samples the size is limited to 3 mm. However an increase in applied pressure (from 90 MPa to 1 GPa) induces a significant improvement in bonding between powder particles.

Risk assessment of excessive CO{sub 2} emission on diatom heavy metal consumption

Energy Technology Data Exchange (ETDEWEB)

Liu, Fengjiao; Li, Shunxing, E-mail: shunxing_li@aliyun.com; Zheng, Fengying; Huang, Xuguang

2016-10-01

Diatoms are the dominant group of phytoplankton in the modern ocean, accounting for approximately 40% of oceanic primary productivity and critical foundation of coastal food web. Rising dissolution of anthropogenic CO{sub 2} in seawater may directly/indirectly cause ocean acidification and desalination. However, little is known about dietary diatom-associated changes, especially for diatom heavy metal consumption sensitivity to these processes, which is important for seafood safety and nutrition assessment. Here we show some links between ocean acidification/desalination and heavy metal consumption by Thalassiosira weissflogii. Excitingly, under desalination stress, the relationships between Cu, Zn, and Cd were all positively correlated, especially between Cu and Zn (r = 0.989, total intracellular concentration) and between Zn and Cd (r = 0.962, single-cell intracellular concentration). Heavy metal consumption activity in decreasing order was acidification < acidification + desalination < desalination for Zn, acidification < desalination < acidification + desalination for Cu and Cd, i.e., heavy metal uptake (or release) were controlled by environmental stress. Our findings showed that heavy metal uptake (or release) was already responded to ongoing excessive CO{sub 2} emission-driven acidification and desalination, which was important for risk assessment of climate change on diatom heavy metal consumption, food web and then seafood safety in future oceans. - Highlights: • Excessive CO{sub 2} in seawater may causes ocean acidification and desalination. • The relationships between Cu, Zn, and Cd were all positively correlated by desalination. • Significant effects of salinity on intracellular concentration of Cu and Cd • Cu and Cd in marine phytoplankton could be regulated by metal excretion. • Heavy metal consumption was affect by excessive CO{sub 2}.

V{sub 1+x}Nb{sub 1-x}IrB{sub 2} (x ∼ 0.1), the first quaternary metal-rich -boride adopting the Mo{sub 2}IrB{sub 2}-type structure: Synthesis, crystal and electronic structure and bonding analysis

Energy Technology Data Exchange (ETDEWEB)

Goerens, Christian; Fokwa, Boniface P.T. [Institute of Inorganic Chemistry, RWTH Aachen University (Germany)

2013-02-15

Polycrystalline samples and single crystals of the new metal-rich boride V{sub 1+x}Nb{sub 1-x}IrB{sub 2} (x ∼ 0.1), were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-ray diffraction and EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase adopts the Mo{sub 2}IrB{sub 2}-type structure (space group Pnnm, no. 58) with the lattice parameters a = 7.301(7) Aa, b = 9.388(9) Aa and c = 3.206(5) Aa. It is the first quaternary representative of Mo{sub 2}IrB{sub 2}-type structure. The structure contains zigzag B{sub 4}-fragments with boron-boron distances of 1.83-1.85 Aa. The electronic density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the zigzag B{sub 4}-fragment and two significantly different Ir-B interactions are observed in the new phase and the prototype Mo{sub 2}IrB{sub 2}. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Chemical potential pinning due to equilibrium electron transfer at metal/C{sub 60}-doped polymer interfaces

Energy Technology Data Exchange (ETDEWEB)

Heller, C.M.; Campbell, I.H.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Barashkov, N.N.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75080 (United States)

1997-04-01

We report electroabsorption measurements of the built-in electrostatic potential in metal/C{sub 60}-doped polymer/metal structures to investigate chemical potential pinning due to equilibrium electron transfer from a metal contact to the electron acceptor energy level of C{sub 60} molecules in the polymer film. The built-in potentials of a series of structures employing thin films of both undoped and C{sub 60}-doped poly[2-methoxy, 5-(2{sup {prime}}-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were measured. For undoped MEH-PPV, which has an energy gap of about 2.4 eV, the maximum built-in potential is about 2.1 eV, whereas for C{sub 60}-doped MEH-PPV the maximum built-in potential decreases to 1.5 eV. Electron transfer to the C{sub 60} molecules close to the metal interface pins the chemical potential of the metal contact near the electron acceptor energy level of C{sub 60} and decreases the built-in potential of the structure. From the systematic dependence of the built-in potential on the metal work function we find that the electron acceptor energy level of C{sub 60} in MEH-PPV is about 1.7 eV above the hole polaron energy level of MEH-PPV. {copyright} {ital 1997 American Institute of Physics.}

Monodisperse Ni{sub x}Fe{sub 3-x}O{sub 4} nanospheres: Metal-ion-steered size/composition control mechanism, static magnetic and enhanced microwave absorbing properties

Energy Technology Data Exchange (ETDEWEB)

Jiang, Kedan, E-mail: 17858961652@163.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Liu, Yun, E-mail: liuyun650403@163.com [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Pan, Yefei, E-mail: 3083780256@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Wang, Ru, E-mail: 631081137@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Hu, Panbing, E-mail: 1036855954@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); He, Rujia, E-mail: 634185782@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Zhang, Lingli, E-mail: 786510121@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Tong, Guoxiu, E-mail: tonggx@zjnu.cn [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China)

2017-05-15

Highlights: • A metal-ion-steered solvothermal method for synthesizing Ni{sub x}Fe{sub 3-x}O{sub 4} nanospheres. • Proposing an in situ-reduction, coordination-precipitation transformation mechanism. • Investigating size- and composition-dependent static magnetic properties. • Investigating size- and composition-dependent microwave absorbing properties. - Abstract: An easy metal-ion-steered solvothermal method was developed for the one-step synthesis of monodisperse, uniform Ni{sub x}Fe{sub 3-x}O{sub 4} polycrystalline nanospheres with tunable sphere diameter (40–400 nm) and composition (0 ≤ x ≤ 0.245) via changing just Ni{sup 2+}/Fe{sup 3+} molar ratio (γ). With g increased from 0:1 to 2:1, sphere diameter gradually decreased and crystal size exhibited an inversed U-shaped change tendency, followed by increased Ni/Fe atom ratio from 0% to 0.0888%. An in situ-reduction, coordination-precipitation transformation mechanism was proposed to interpret the metal-ion-steered growth. Size- and composition-dependent static magnetic and microwave absorbing properties were systematically investigated. Saturation magnetization declines with g in a Boltzmann model due to the changes of crystal size, sphere diameter, and Ni content. The coercivity reaches a maximum at γ = 0.75:1 because of the critical size of Fe{sub 3}O{sub 4} single domain (25 nm). Studies on microwave absorption reveal that 150–400 nm Fe{sub 3}O{sub 4} nanospheres mainly obey the quarter-wavelength cancellation model with the single-band absorption; 40–135 nm Ni{sub x}Fe{sub 3-x}O{sub 4} nanospheres (0 ≤ x ≤ 0.245) obey the one and three quarter-wavelength cancellation model with the multi-band absorption. 150 nm Fe{sub 3}O{sub 4} nanospheres exhibit the optimal EM wave-absorbing property with an absorbing band of 8.94 GHz and the maximum R{sub L} of −50.11 dB.

Metal-insulator transition in nanocomposite VO{sub x} films formed by anodic electrodeposition

Energy Technology Data Exchange (ETDEWEB)

Tsui, Lok-kun; Lu, Jiwei; Zangari, Giovanni, E-mail: gz3e@virginia.edu [Department of Materials Science and Engineering, University of Virginia, 395 McCormick Rd., Charlottesville, Virginia 22904 (United States); Hildebrand, Helga; Schmuki, Patrik [Department for Materials Science LKO, University of Erlangen-Nuremberg, Martensstr. 7, D-91058 Erlangen (Germany)

2013-11-11

The ability to grow VO{sub 2} films by electrochemical methods would open a low-cost, easily scalable production route to a number of electronic devices. We have synthesized VO{sub x} films by anodic electrodeposition of V{sub 2}O{sub 5}, followed by partial reduction by annealing in Ar. The resulting films are heterogeneous, consisting of various metallic/oxide phases and including regions with VO{sub 2} stoichiometry. A gradual metal insulator transition with a nearly two order of magnitude change in film resistance is observed between room temperature and 140 °C. In addition, the films exhibit a temperature coefficient of resistance of ∼ −2.4%/ °C from 20 to 140 °C.

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.

Characterization, integration and reliability of HfO{sub 2} and LaLuO{sub 3} high-κ/metal gate stacks for CMOS applications

Energy Technology Data Exchange (ETDEWEB)

Nichau, Alexander

2013-07-15

The continued downscaling of MOSFET dimensions requires an equivalent oxide thickness (EOT) of the gate stack below 1 nm. An EOT below 1.4 nm is hereby enabled by the use of high-κ/metal gate stacks. LaLuO{sub 3} and HfO{sub 2} are investigated as two different high-κ oxides on silicon in conjunction with TiN as the metal electrode. LaLuO{sub 3} and its temperature-dependent silicate formation are characterized by hard X-ray photoemission spectroscopy (HAXPES). The effective attenuation length of LaLuO{sub 3} is determined between 7 and 13 keV to enable future interface and diffusion studies. In a first investigation of LaLuO{sub 3} on germanium, germanate formation is shown. LaLuO{sub 3} is further integrated in a high-temperature MOSFET process flow with varying thermal treatment. The devices feature drive currents up to 70μA/μm at 1μm gate length. Several optimization steps are presented. The effective device mobility is related to silicate formation and thermal budget. At high temperature the silicate formation leads to mobility degradation due to La-rich silicate formation. The integration of LaLuO{sub 3} in high-T processes delicately connects with the optimization of the TiN metal electrode. Hereby, stoichiometric TiN yields the best results in terms of thermal stability with respect to Si-capping and high-κ oxide. Different approaches are presented for a further EOT reduction with LaLuO{sub 3} and HfO{sub 2}. Thereby the thermodynamic and kinetic predictions are employed to estimate the behavior on the nanoscale. Based on thermodynamics, excess oxygen in the gate stack, especially in oxidized metal electrodes, is identified to prevent EOT scaling below 1.2 nm. The equivalent oxide thickness of HfO{sub 2} gate stacks is scalable below 1 nm by the use of thinned interfacial SiO{sub 2}. The prevention of oxygen incorporation into the metal electrode by Si-capping maintains the EOT after high temperature annealing. Redox systems are employed within the

Ferroelectric and piezoelectric properties of lead-free BaTiO{sub 3} doped Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} thin films from metal-organic solution deposition

Energy Technology Data Exchange (ETDEWEB)

Acharya, Susant Kumar [Division of Advanced Materials Engineering, Hydrogen and Fuel Cell Research Center, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Department of Semiconductor Science and Technology, Basic Research Laboratory (BRL), Semiconductor Physics Research Center (SPRC), Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Lee, Sang-Kwon; Hyung, Jung-Hwan [Department of Semiconductor Science and Technology, Basic Research Laboratory (BRL), Semiconductor Physics Research Center (SPRC), Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Yang, Yun-Ho; Kim, Bok-Hee [Division of Advanced Materials Engineering, Hydrogen and Fuel Cell Research Center, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Ahn, Byung-Guk, E-mail: bkahn@jbnu.ac.kr [Division of Advanced Materials Engineering, Hydrogen and Fuel Cell Research Center, Chonbuk National University, Jeonju 561-756 (Korea, Republic of)

2012-11-05

Highlights: Black-Right-Pointing-Pointer Lead-free BNT-BT thin films from an optimized metal-organic solution deposition. Black-Right-Pointing-Pointer Phase and microstructure evolution with annealing temperature. Black-Right-Pointing-Pointer A relatively low leakage current density. Black-Right-Pointing-Pointer Good dielectric constant of 613 at a frequency of 1 kHz. Black-Right-Pointing-Pointer High remanent polarization and piezoelectric constant comparable to PZT thin films. - Abstract: Lead-free 0.94Bi{sub 0.5}Na{sub 0.5}TiO{sub 3}-0.06BaTiO{sub 3} (BNT-BT) piezoelectric thin films were prepared by metal-organic solution deposition onto a Pt/Ti/SiO{sub 2}/Si substrate. A dense and well crystallized thin film with a perovskite phase was obtained by annealing these films at 700 Degree-Sign C. Atomic force microscopy showed that these films were smooth and crack-free with an average grain size on the order of 200 nm. Thin films of 356 nm thickness exhibited a small signal dielectric constant and a loss tangent at 1 kHz of 613 and 0.044, respectively. Ferroelectric hysteresis measurements indicated a remanent polarization value of 21.5 {mu}C/cm{sup 2} with a coercive field of 164.5 kV/cm. The leakage current density of the thin film was 4.08 Multiplication-Sign 10{sup -4} A/cm{sup 2} at an applied electric field of 200 kV/cm. A typical butterfly-shaped piezoresponse loop was observed and the effective piezoelectric coefficient (d{sub 33}) of the BNT-BT thin film was approximately 51.6 pm/V.

Synthesis, structures, and luminescent properties of sodium rare-earth metal(III) chloride oxotellurates(IV), Na{sub 2}Ln{sub 3}Cl{sub 3}[TeO{sub 3}]{sub 4} (Ln = Sm, Eu, Gd, Tb, Dy, and Ho)

Energy Technology Data Exchange (ETDEWEB)

Charkin, Dmitri O.; Dorofeev, Sergey G.; Berdonosov, Peter S.; Dolgikh, Valery A. [Department of Chemistry, Lomonosov Moscow State University (Russian Federation); Zitzer, Sabine; Greiner, Stefan; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Olenev, Andrei V. [Department of Chemistry, Lomonosov Moscow State University (Russian Federation); Sine Theta Ltd., Moscow (Russian Federation)

2017-11-17

Six sodium rare-earth metal(III) chloride oxotellurates(IV), Na{sub 2}Ln{sub 3}Cl{sub 3}[TeO{sub 3}]{sub 4}, isostructural to Na{sub 2}Y{sub 3}Cl{sub 3}[TeO{sub 3}]{sub 4}, were synthesized by flux techniques and characterized by single-crystal XRD. The compounds crystallize in the monoclinic space group C2/c with lattice constants a = 23.967(1), b = 5.6342(3), c = 16.952(1) Aa, β = 134.456(5) for Ln = Sm, a = 23.932(2), b = 5.6044(5), c = 17.134(1) Aa, β = 135.151(6) for Ln = Eu, a = 23.928(1), b = 5.5928(1), c = 17.1133(8) Aa, β = 135.366(3) for Ln = Gd, a = 23.907(1), b = 5.569(3), c = 16.745(1) Aa, β = 134.205(3) for Ln = Tb, a = 23.870(1), b = 5.547(3), c = 16.665(1) Aa, β = 134.102(3) for Ln = Dy, and a = 23.814(1), b = 5.526(3), c = 16.626(1) Aa, β = 134.016(3) for Ln = Ho and Z = 4. Their crystal structure can be considered as a framework built of intergrowing Ln-O and Na-(O,Cl) slabs with channel walls decorated by tellurium atoms of [TeO{sub 3}]{sup 2-} groups. The luminescent properties of the new compounds due to the Ln{sup 3+} cations are described and discussed. We also discuss the crystal chemistry of various alkali-metal rare-earth metal(III) halide oxochalcogenates(IV). (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Study of half-metallic ferromagnetism and elastic properties of Cd{sub 1-x}Cr{sub x}Z (Z=S, Se)

Energy Technology Data Exchange (ETDEWEB)

Rani, Anita [Guru Nanak College for Girls, Sri Muktsar Sahib, Punjab (India); Kumar, Ranjan [Panjab University Chandigarh, Department of Physics, Chandigarh (India)

2016-12-15

We have studied the structural, electronic and magnetic properties of Cd{sub 1-x}Cr{sub x}S and Cd{sub 1-x}Cr{sub x}Se diluted magnetic semiconductors in zinc blende (B3) phase at x = 0.25, 0.125 and 0.0625. The calculations have been performed using DFT (density functional theory) as implemented in SIESTA code using LDA (local density approximation) as exchange-correlation (XC) potential. Study of band structures and DOS (density of states) shows HMF (half-metallic ferromagnetic) nature of Cd{sub 1-x}Cr{sub x}S and Cd{sub 1-x}Cr{sub x}Se alloys. The calculated values of s-d exchange constant Nα and p-d exchange constant Nβ show the magnetic behavior of these compounds. Moreover, both DMSs retain their half-metallic nature at 0.25, 0.125 and 0.0625 concentrations with 100% spin polarization at Fermi level (E{sub F}). Total magnetic moment of these compounds is due to 3d states of Cr atom and also existence of small induced magnetic moment on other non-magnetic atoms as well. HM robustness is also calculated as a function of lattice constants. (orig.)

A celiac cellular phenotype, with altered LPP sub-cellular distribution, is inducible in controls by the toxic gliadin peptide P31-43.

Directory of Open Access Journals (Sweden)

Merlin Nanayakkara

Full Text Available Celiac disease (CD is a frequent inflammatory intestinal disease, with a genetic background, caused by gliadin-containing food. Undigested gliadin peptides P31-43 and P57-68 induce innate and adaptive T cell-mediated immune responses, respectively. Alterations in the cell shape and actin cytoskeleton are present in celiac enterocytes, and gliadin peptides induce actin rearrangements in both the CD mucosa and cell lines. Cell shape is maintained by the actin cytoskeleton and focal adhesions, sites of membrane attachment to the extracellular matrix. The locus of the human Lipoma Preferred Partner (LPP gene was identified as strongly associated with CD using genome-wide association studies (GWAS. The LPP protein plays an important role in focal adhesion architecture and acts as a transcription factor in the nucleus. In this study, we examined the hypothesis that a constitutive alteration of the cell shape and the cytoskeleton, involving LPP, occurs in a cell compartment far from the main inflammation site in CD fibroblasts from skin explants. We analyzed the cell shape, actin organization, focal adhesion number, focal adhesion proteins, LPP sub-cellular distribution and adhesion to fibronectin of fibroblasts obtained from CD patients on a Gluten-Free Diet (GFD and controls, without and with treatment with A-gliadin peptide P31-43. We observed a "CD cellular phenotype" in these fibroblasts, characterized by an altered cell shape and actin organization, increased number of focal adhesions, and altered intracellular LPP protein distribution. The treatment of controls fibroblasts with gliadin peptide P31-43 mimics the CD cellular phenotype regarding the cell shape, adhesion capacity, focal adhesion number and LPP sub-cellular distribution, suggesting a close association between these alterations and CD pathogenesis.

Gate-controlled metal-insulator transition in the LaAlO{sub 3}/SrTiO{sub 3} system with sub-critical LaAlO{sub 3} thickness

Energy Technology Data Exchange (ETDEWEB)

Lee, Joon Sung; Lee, Seung Ran; Chang, Jung-Won; Noh, Hyunho; Baasandorj, Lkhagvasuren; Shim, Seung-Bo; Kim, Jinhee [Korea Research Institute of Standards and Science, Daejeon 305-600 (Korea, Republic of); Seung, Sang Keun; Shin, Hyun Sup; Song, Jonghyun [Department of Physics, Chungnam National University, Daejeon 305-764 (Korea, Republic of)

2012-12-15

We studied the electrical conduction in the LaAlO{sub 3}/SrTiO{sub 3} (LAO/STO) interface electron system with a sub-critical LAO layer thickness of {proportional_to}3.5 unit cells (uc). It was found that the true dividing point between metallic and insulating behaviour without gating lies near the LAO thickness of 3.5 uc. Our marginally metallic 3.5 uc sample showed a sharp transition to insulating state at temperatures which strongly depended on the applied negative back-gate voltage. The superior gate-controllability of the sample was attributed to its sheet carrier density which was an order of magnitude lower than those of conducting LAO/STO samples with 4 uc or more of LAO layers. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Flexible Aperture Tuning Solution for Cellular Main Antenna in Metallic Back Cover Mobile Phone

Directory of Open Access Journals (Sweden)

Yew Choon Mark Tan

2017-10-01

Full Text Available Metal housing has been used extensively on portable communication devices such as on mobile phones and tablets. The choice of metal housing ranges from metallic rim to metallic back cover. This metal housing tends to improve the outlook appearance of the mobile devices, and add mechanical strength towards the mobile devices. However, from the aspect of the communication antenna, the metal housing often posts great challenges towards the flexibility in antenna design and reduction in antenna performance. This paper presents an approach to overcome the challenges by integrating the metal housing of the mobile phone as part of the antenna, along with the introduction of tunable antenna concept to provide different forms of Aperture Tuning to the Cellular Main Antenna, to satisfy its wide frequency band coverages for the 2nd, 3rd and 4th Generation (2G, 3G and 4G mobile network.

Rare-earth metal transition metal borocarbide and nitridoborate superconductors

Energy Technology Data Exchange (ETDEWEB)

Niewa, Rainer; Shlyk, Larysa; Blaschkowski, Bjoern [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

2011-07-01

Few years after the discovery of superconductivity in high-T{sub c} cuprates, borocarbides and shortly after nitridoborates with reasonably high T{sub c}s up to about 23 K attracted considerable attention. Particularly for the rare-earth metal series with composition RNi{sub 2}[B{sub 2}C] it turned out, that several members exhibit superconductivity next to magnetic order with both T{sub c} above or below the magnetic ordering temperature. Therefore, these compounds have been regarded as ideal materials to study the interplay and coexistence of superconductivity and long range magnetic order, due to their comparably high ordering temperatures and similar magnetic and superconducting condensation energies. This review gathers information on the series RNi{sub 2}[B{sub 2}C] and isostructural compounds with different transition metals substituting Ni as well as related series like RM[BC], RM[BN], AM[BN] and R{sub 3}M{sub 2}[BN]{sub 2}N (all with R = rare-earth metal, A = alkaline-earth metal, M = transition metal) with special focus on synthesis, crystal structures and structural trends in correspondence to physical properties. (orig.)

CsSc{sub 3}F{sub 6}[SeO{sub 3}]{sub 2}. A new rare-earth metal(III) fluoride oxoselenate(IV) with sections of the ReO{sub 3}-type structure

Energy Technology Data Exchange (ETDEWEB)

Greiner, Stefan; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany)

2017-09-04

A new representative of rare-earth metal(III) fluoride oxoselenates(IV) derivatized with alkali metals could be synthesized via solid-state reactions. Colorless single crystals of CsSc{sub 3}F{sub 6}[SeO{sub 3}]{sub 2} were obtained through the reaction of Sc{sub 2}O{sub 3}, ScF{sub 3}, and SeO{sub 2} (molar ratio 1:1:3) with CsBr as reactant and fluxing agent. For this purpose, corundum crucibles embedded as liners into evacuated silica ampoules were applied as containers for these reactions at 700 C for seven days. The new quintenary compound crystallizes in the trigonal space group P3m1 with a = 565.34(4) and c = 1069.87(8) pm (c/a = 1.892) for Z = 1. The crystal structure of CsSc{sub 3}F{sub 6}[SeO{sub 3}]{sub 2} contains two crystallographically different Sc{sup 3+} cations. Each (Sc1){sup 3+} is surrounded by six fluoride anions as octahedron, while the octahedra about (Sc2){sup 3+} are formed by three fluoride anions and three oxygen atoms from three terminal [SeO{sub 3}]{sup 2-} anions. The [(Sc1)F{sub 6}]{sup 3-} octahedra link via common F{sup -} vertices to six fac-[(Sc2)F{sub 3}O{sub 3}]{sup 6-} octahedra forming {sup 2}{sub ∞}{[Sc_3F_6O_6]"9"-} layers parallel to (001). These layers are separated by oxygen-coordinated Cs{sup +} cations (C.N. = 12), arranging for the charge compensation, while Se{sup 4+} cations within the layers surrounded by three oxygen atoms as ψ{sup 1}-tetrahedral [SeO{sub 3}]{sup 2-} units complete the structure. EDX measurements confirmed the composition of the title compound and single-crystal Raman studies showed the typical vibrational modes of isolated [SeO{sub 3}]{sup 2-} anions with ideal C{sub 3v} symmetry. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Reoxidation of uranium metal immersed in a Li{sub 2}O-LiCl molten salt after electrolytic reduction of uranium oxide

Energy Technology Data Exchange (ETDEWEB)

Choi, Eun-Young, E-mail: eychoi@kaeri.re.kr [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of); Jeon, Min Ku [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of); Department of Quantum Energy Chemical Engineering, University of Science and Technology, Gajeong-ro 217, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Lee, Jeong [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of); Kim, Sung-Wook [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of); Department of Quantum Energy Chemical Engineering, University of Science and Technology, Gajeong-ro 217, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Lee, Sang Kwon [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of); Lee, Sung-Jai [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of); Department of Quantum Energy Chemical Engineering, University of Science and Technology, Gajeong-ro 217, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Heo, Dong Hyun; Kang, Hyun Woo; Jeon, Sang-Chae; Hur, Jin-Mok [Korea Atomic Energy Research Institute, Daedoek-daero 989-111, Yuseong-gu, Daejeon 34057 (Korea, Republic of)

2017-03-15

We present our findings that uranium (U) metal prepared by using the electrolytic reduction process for U oxide (UO{sub 2}) in a Li{sub 2}O–LiCl salt can be reoxidized into UO{sub 2} through the reaction between the U metal and Li{sub 2}O in LiCl. Two salt types were used for immersion of the U metal: one was the salt used for electrolytic reduction, and the other was applied to the unused LiCl salts with various concentrations of Li{sub 2}O and Li metal. Our results revealed that the degree of reoxidation increases with the increasing Li{sub 2}O concentration in LiCl and that the presence of the Li metal in LiCl suppresses the reoxidation of the U metal. - Highlights: • Uranium (U) metal can be reoxidized into UO{sub 2} through the reaction between the U metal and Li{sub 2}O in LiCl. • The degree of reoxidation increases with the Li{sub 2}O concentration in LiCl. • The presence of the Li metal in LiCl suppresses the reoxidation of the U metal.

Removal of heavy metals from aqueous solutions using Fe{sub 3}O{sub 4}, ZnO, and CuO nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Mahdavi, Shahriar, E-mail: smahdaviha@yahoo.com; Jalali, Mohsen, E-mail: jalali@basu.ac.ir [College of Agriculture, Bu-Ali Sina University, Department of Soil Science (Iran, Islamic Republic of); Afkhami, Abbas, E-mail: afkhami@basu.ac.ir [College of Chemistry, Bu-Ali Sina University, Department of Analytical Chemistry (Iran, Islamic Republic of)

2012-08-15

This study investigated the removal of Cd{sup 2+}, Cu{sup 2+}, Ni{sup 2+}, and Pb{sup 2+} from aqueous solutions with novel nanoparticle sorbents (Fe{sub 3}O{sub 4}, ZnO, and CuO) using a range of experimental approaches, including, pH, competing ions, sorbent masses, contact time, scanning electron microscopy, transmission electron microscopy, and X-ray diffraction. The images showed that Fe{sub 3}O{sub 4}, ZnO, and CuO particles had mean diameters of about 50 nm (spheroid), 25 nm (rod shape), and 75 nm (spheroid), respectively. Tests were performed under batch conditions to determine the adsorption rate and uptake at equilibrium from single and multiple component solutions. The maximum uptake values (sum of four metals) in multiple component solutions were 360.6, 114.5, and 73.0 mg g{sup -1}, for ZnO, CuO, and Fe{sub 3}O{sub 4}, respectively. Based on the average metal removal by the three nanoparticles, the following order was determined for single component solutions: Cd{sup 2+} > Pb{sup 2+} > Cu{sup 2+} > Ni{sup 2+}, while the following order was determined in multiple component solutions: Pb{sup 2+} > Cu{sup 2+} > Cd{sup 2+} > Ni{sup 2+}. Sorption equilibrium isotherms could be described using the Freundlich model in some cases, whereas other isotherms did not follow this model. Furthermore, a pseudo-second order kinetic model was found to correctly describe the experimental data for all nanoparticles. Scanning electron microscopy, energy dispersive X-ray before and after metal sorption, and soil solution saturation indices showed that the main mechanism of sorption for Cd{sup 2+} and Pb{sup 2+} was adsorption, whereas both Cu{sup 2+} and Ni{sup 2+} sorption were due to adsorption and precipitation. These nanoparticles have potential for use as efficient sorbents for the removal of heavy metals from aqueous solutions and ZnO nanoparticles were identified as the most promising sorbent due to their high metal uptake.

Atomic layer deposition of HfO{sub 2} for integration into three-dimensional metal-insulator-metal devices

Energy Technology Data Exchange (ETDEWEB)

Assaud, Loic [Aix Marseille Univ, CNRS, CINAM, Marseille (France); ICMMO-ERIEE, Universite Paris-Sud / Universite Paris-Saclay, CNRS, Orsay (France); Pitzschel, Kristina; Barr, Maissa K.S.; Petit, Matthieu; Hanbuecken, Margrit; Santinacci, Lionel [Aix Marseille Univ, CNRS, CINAM, Marseille (France); Monier, Guillaume [Universite Clermont Auvergne, Universite Blaise Pascal, CNRS, Institut Pascal, Clermont-Ferrand (France)

2017-12-15

HfO{sub 2} nanotubes have been fabricated via a template-assisted deposition process for further use in three-dimensional metal-insulator-metal (MIM) devices. HfO{sub 2} thin layers were grown by Atomic Layer Deposition (ALD) in anodic alumina membranes (AAM). The ALD was carried out using tetrakis(ethylmethylamino)hafnium and water as Hf and O sources, respectively. Long exposure durations to the precursors have been used to maximize the penetration depth of the HfO{sub 2} layer within the AAM and the effect of the process temperature was investigated. The morphology, the chemical composition, and the crystal structure were studied as a function of the deposition parameters using transmission and scanning electron microscopies, X-ray photoelectron spectroscopy, and X-ray diffraction, respectively. As expected, the HfO{sub 2} layers grown at low-temperature (T = 150 C) were amorphous, while for a higher temperature (T = 250 C), polycrystalline films were observed. The electrical characterizations have shown better insulating properties for the layers grown at low temperature. Finally, TiN/HfO{sub 2}/TiN multilayers were grown in an AAM as proof-of-concept for three-dimensional MIM nanostructures. (orig.)

Chlorobenzene, chloroform, and carbon tetrachloride adsorption on undoped and metal-doped sol-gel substrates (SiO{sub 2}, Ag/SiO{sub 2}, Cu/SiO{sub 2} and Fe/SiO{sub 2})

Energy Technology Data Exchange (ETDEWEB)

Hernandez, M.A. [Postgrado de Ciencias Ambientales and Departamento de Investigacion en Zeolitas, Instituto de Ciencias, Universidad Autonoma de Puebla, Edificio 76, Complejo de Ciencias, Ciudad Universitaria, CP 72570 Puebla (Mexico)], E-mail: mighern@siu.buap.mx; Gonzalez, A.I.; Corona, L.; Hernandez, F. [Postgrado de Ciencias Ambientales and Departamento de Investigacion en Zeolitas, Instituto de Ciencias, Universidad Autonoma de Puebla, Edificio 76, Complejo de Ciencias, Ciudad Universitaria, CP 72570 Puebla (Mexico); Rojas, F.; Asomoza, M.; Solis, S. [Departamento de Quimica, Universidad Autonoma Metropolitana-Iztapalapa, P.O. Box 55-534, D.F. Mexico (Mexico); Portillo, R.; Salgado, M.A. [Facultad de Ciencias Quimicas, Universidad Autonoma de Puebla (Mexico)

2009-02-15

Adsorption isotherms of chlorobenzene, chloroform and carbon tetrachloride vapors on undoped SiO{sub 2}, and metal-doped Ag/SiO{sub 2}, Cu/SiO{sub 2} and Fe/SiO{sub 2} substrates were measured in the temperature range of 398-593 K. These substrates were prepared from a typical sol-gel technique in the presence of metal dopants that rendered an assortment of microporous-mesoporous solids. The relevant characteristic of these materials was the different porosities and micropore to mesopore volume ratios that were displayed; this was due to the effect that the cationic metal valence exerts on the size of the sol-gel globules that compose the porous solid. The texture of these SiO{sub 2} materials was analyzed by X-ray diffraction (XRD), FTIR, and diverse adsorption methods. The pore-size distributions of the adsorbents confirmed the existence of mesopores and supermicropores, while ultramicropores were absent. The Freundlich adsorption model approximately fitted the chlorinated compounds adsorption data on the silica substrates by reason of a heterogeneous energy distribution of adsorption sites. The intensity of the interaction between these organic vapors and the surface of the SiO{sub 2} samples was analyzed through evaluation of the isosteric heat of adsorption and standard adsorption energy; from these last results it was evident that the presence of metal species within the silica structure greatly affected the values of both the amounts adsorbed as well as of the isosteric heats of adsorption.

A CRITICAL LOOK AT THE MASS-METALLICITY-STAR FORMATION RATE RELATION IN THE LOCAL UNIVERSE. I. AN IMPROVED ANALYSIS FRAMEWORK AND CONFOUNDING SYSTEMATICS

Energy Technology Data Exchange (ETDEWEB)

Salim, Samir; Salzer, John J. [Department of Astronomy, Indiana University, Bloomington, IN 47404 (United States); Lee, Janice C. [Space Telescope Science Institute, Baltimore, MD 21218 (United States); Ly, Chun [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Brinchmann, Jarle [Leiden Observatory, Leiden University, NL-2300 RA Leiden (Netherlands); Davé, Romeel [University of the Western Cape, Bellville, Cape Town 7535 (South Africa); Dickinson, Mark [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Charlot, Stéphane, E-mail: salims@indiana.edu [Institut d' Astrophysique de Paris, CNRS, F-75014 Paris (France)

2014-12-20

It has been proposed that the (stellar) mass-(gas) metallicity relation of galaxies exhibits a secondary dependence on star formation rate (SFR), and that the resulting M {sub *}-Z-SFR relation may be redshift-invariant, i.e., ''fundamental''. However, conflicting results on the character of the SFR dependence, and whether it exists, have been reported. To gain insight into the origins of the conflicting results, we (1) devise a non-parametric, astrophysically motivated analysis framework based on the offset from the star-forming ({sup m}ain{sup )} sequence at a given M {sub *} (relative specific SFR); (2) apply this methodology and perform a comprehensive re-analysis of the local M {sub *}-Z-SFR relation, based on SDSS, GALEX, and WISE data; and (3) study the impact of sample selection and of using different metallicity and SFR indicators. We show that metallicity is anti-correlated with specific SFR regardless of the indicators used. We do not find that the relation is spurious due to correlations arising from biased metallicity measurements or fiber aperture effects. We emphasize that the dependence is weak/absent for massive galaxies (log M {sub *} > 10.5), and that the overall scatter in the M {sub *}-Z-SFR relation does not greatly decrease from the M {sub *}-Z relation. We find that the dependence is stronger for the highest SSFR galaxies above the star-forming sequence. This two-mode behavior can be described with a broken linear fit in 12+log(O/H) versus log (SFR/M {sub *}), at a given M {sub *}. Previous parameterizations used for comparative analysis with higher redshift samples that do not account for the more detailed behavior of the local M {sub *}-Z-SFR relation may incorrectly lead to the conclusion that those samples follow a different relationship.

Differences in metal sequestration between zebra mussels from clean and polluted field locations.

Science.gov (United States)

Voets, Judith; Redeker, Erik Steen; Blust, Ronny; Bervoets, Lieven

2009-06-04

Organisms are able to detoxify accumulated metals by, e.g. binding them to metallothionein (MT) and/or sequestering them in metal-rich granules (MRG). The different factors involved in determining the capacity or efficiency with which metals are detoxified are not yet known. In this work we studied how the sub-cellular distribution pattern of cadmium, copper and zinc in whole tissue of zebra mussels from clean and polluted surface waters is influenced by the total accumulated metal concentration and by its physiological condition. Additionally we measured the metallothionein concentration in the mussel tissue. Metal concentration increased gradually in the metal-sensitive and detoxified sub-cellular fractions with increasing whole tissue concentrations. However, metal concentrations in the sensitive fractions did not increase to the same extent as metal concentrations in whole tissues. In more polluted mussels the contribution of MRG and MT became more important. Nevertheless, metal detoxification was not sufficient to prevent metal binding to heat-sensitive low molecular weight proteins (HDP fraction). Finally we found an indication that metal detoxification was influenced by the condition of the zebra mussels. MT content could be explained for up to 83% by variations in Zn concentration and physiological condition of the mussels.

Differences in metal sequestration between zebra mussels from clean and polluted field locations

International Nuclear Information System (INIS)

Voets, Judith; Redeker, Erik Steen; Blust, Ronny; Bervoets, Lieven

2009-01-01

Organisms are able to detoxify accumulated metals by, e.g. binding them to metallothionein (MT) and/or sequestering them in metal-rich granules (MRG). The different factors involved in determining the capacity or efficiency with which metals are detoxified are not yet known. In this work we studied how the sub-cellular distribution pattern of cadmium, copper and zinc in whole tissue of zebra mussels from clean and polluted surface waters is influenced by the total accumulated metal concentration and by its physiological condition. Additionally we measured the metallothionein concentration in the mussel tissue. Metal concentration increased gradually in the metal-sensitive and detoxified sub-cellular fractions with increasing whole tissue concentrations. However, metal concentrations in the sensitive fractions did not increase to the same extent as metal concentrations in whole tissues. In more polluted mussels the contribution of MRG and MT became more important. Nevertheless, metal detoxification was not sufficient to prevent metal binding to heat-sensitive low molecular weight proteins (HDP fraction). Finally we found an indication that metal detoxification was influenced by the condition of the zebra mussels. MT content could be explained for up to 83% by variations in Zn concentration and physiological condition of the mussels.

Differences in metal sequestration between zebra mussels from clean and polluted field locations

Energy Technology Data Exchange (ETDEWEB)

Voets, Judith [Laboratory for Ecophysiology, Biochemistry and Toxicology, Department of Biology, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Redeker, Erik Steen [Laboratory for Ecophysiology, Biochemistry and Toxicology, Department of Biology, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Institute for Materials Research, Chemistry Division, Hasselt University, Agoralaan Building D G1-36, B 3590 Diepenbeek (Belgium); Blust, Ronny [Laboratory for Ecophysiology, Biochemistry and Toxicology, Department of Biology, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Bervoets, Lieven, E-mail: Lieven.bervoets@ua.ac.be [Laboratory for Ecophysiology, Biochemistry and Toxicology, Department of Biology, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)

2009-06-04

Organisms are able to detoxify accumulated metals by, e.g. binding them to metallothionein (MT) and/or sequestering them in metal-rich granules (MRG). The different factors involved in determining the capacity or efficiency with which metals are detoxified are not yet known. In this work we studied how the sub-cellular distribution pattern of cadmium, copper and zinc in whole tissue of zebra mussels from clean and polluted surface waters is influenced by the total accumulated metal concentration and by its physiological condition. Additionally we measured the metallothionein concentration in the mussel tissue. Metal concentration increased gradually in the metal-sensitive and detoxified sub-cellular fractions with increasing whole tissue concentrations. However, metal concentrations in the sensitive fractions did not increase to the same extent as metal concentrations in whole tissues. In more polluted mussels the contribution of MRG and MT became more important. Nevertheless, metal detoxification was not sufficient to prevent metal binding to heat-sensitive low molecular weight proteins (HDP fraction). Finally we found an indication that metal detoxification was influenced by the condition of the zebra mussels. MT content could be explained for up to 83% by variations in Zn concentration and physiological condition of the mussels.

Femtosecond laser nanosurgery of sub-cellular structures in HeLa cells by employing Third Harmonic Generation imaging modality as diagnostic tool.

Science.gov (United States)

Tserevelakis, George J; Psycharakis, Stylianos; Resan, Bojan; Brunner, Felix; Gavgiotaki, Evagelia; Weingarten, Kurt; Filippidis, George

2012-02-01

Femtosecond laser assisted nanosurgery of microscopic biological specimens is a relatively new technique which allows the selective disruption of sub-cellular structures without causing any undesirable damage to the surrounding regions. The targeted structures have to be stained in order to be clearly visualized for the nanosurgery procedure. However, the validation of the final nanosurgery result is difficult, since the targeted structure could be simply photobleached rather than selectively destroyed. This fact comprises a main drawback of this technique. In our study we employed a multimodal system which integrates non-linear imaging modalities with nanosurgery capabilities, for the selective disruption of sub-cellular structures in HeLa cancer cells. Third Harmonic Generation (THG) imaging modality was used as a tool for the identification of structures that were subjected to nanosurgery experiments. No staining of the biological samples was required, since THG is an intrinsic property of matter. Furthermore, cells' viability after nanosurgery processing was verified via Two Photon Excitation Fluorescence (TPEF) measurements. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The substitution effect of chromium on the magnetic properties of (Fe{sub 1−x}Cr{sub x}){sub 80}Si{sub 6}B{sub 14} metallic glasses (0.02≤x≤0.14)

Energy Technology Data Exchange (ETDEWEB)

Álvarez-Alonso, Pablo [Departamento de Electricidad y Electrónica, Universidad del País Vasco, Barrio Sarriena s/n, 48940 Leioa (Spain); Santos, J.D.; Pérez, María J. [Departamento de Física, Universidad de Oviedo, c/ Calvo Sotelo s/n, 33007 Oviedo (Spain); Sánchez-Valdes, C.F.; Sánchez Llamazares, J.L. [División de Materiales Avanzados, Instituto Potosino de Investigación Científica y Tecnológica A.C., Camino a la presa San José 2055, CP 78216 San Luis Potosí (Mexico); Gorria, Pedro, E-mail: pgorria@uniovi.es [Departamento de Física, EPI, Universidad de Oviedo, 33203 Gijón (Spain)

2013-12-15

Magnetization studies were carried out to characterize the magnetic properties of the Iron-rich metallic glasses (Fe{sub 1−x}Cr{sub x}){sub 80}Si{sub 6}B{sub 14} with 0.02≤x≤0.14. The Curie temperature T{sub C} diminishes almost linearly with the increase in the Cr-content from 401 K (x=0.10) to 291 K (x=0.14), while the saturation magnetization M{sub S} at T=5 K also undergoes a linear reduction from 169 Am{sup 2} kg{sup −1} (x=0.02) to 87 Am{sup 2} kg{sup −1} (x=0.14). These results suggest that the system should become paramagnetic for x≈0.22. The magneto-caloric properties of samples with T{sub C} near room temperature, i.e., with x=0.12 and 0.14, were investigated up to a maximum magnetic field change of 8 T. Both ribbons are characterized by a very broad temperature dependence of the magnetic entropy change ΔS{sub M}(T) and moderate peak values of 2.9 Jkg{sup −1} K{sup −1} and 2.6 Jkg{sup −1} K{sup −1}, respectively. - Highlights: • We report on the magnetic properties of (Fe{sub 1−x}Cr{sub x}){sub 80}Si{sub 6}B{sub 14} metallic glasses with 0.02≤x≤0.14. • Curie temperature and saturation magnetization values reduce linearly as the chromium content increases. • The magneto-caloric response up to 8 T has been measured for samples with x=0.12 and 0.14.

Effects of halogens on interactions between a reduced TiO{sub 2} (110) surface and noble metal atoms: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Tada, Kohei, E-mail: k-tada@aist.go.jp [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka, 563-8577 (Japan); Koga, Hiroaki [Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan); Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan)

2017-07-31

Highlights: • We investigated the halogen effect on the interactions of noble metals with TiO{sub 2}. • Halogen atoms inhibit electron transfer from TiO{sub 2} to noble metals. • Iodine stabilizes the adsorption of noble metals especially for Ag and Cu. • Electron transfer from the TiO{sub 2} is effective in anchoring Au and Pt atoms. • Covalent interaction with the support is effective in anchoring Ag and Cu atoms. - Abstract: Using DFT calculation, we investigate the effects of halogens on the interactions between rutile TiO{sub 2} (110) and noble metal atoms (Au, Ag, Cu, Pt, and Pd). Fluorine, chlorine, and bromine atoms occupy the oxygen defect sites of TiO{sub 2}, decreasing the stability of noble metal atoms on the surface. This decrease occurs because the halogens inhibit electron transfer from TiO{sub 2} to the noble metal atoms; the electron transfer from reduced TiO{sub 2} to the noble metal atom stabilizes the noble metal atom adsorption. In contrast, iodine strengthens the interactions between TiO{sub 2} and some noble metal atoms, namely Ag and Cu. This stabilization occurs because of the covalent interaction between iodine-doped TiO{sub 2} and the noble metal atom. Therefore, the stabilization is explained well by chemical hardness. This result suggests that iodine-doping of a TiO{sub 2} surface would be an effective method for the preparation of highly stabilized noble metal clusters.

ORIGIN OF THE GALAXY MASS-METALLICITY-STAR FORMATION RELATION

Energy Technology Data Exchange (ETDEWEB)

Harwit, Martin; Brisbin, Drew, E-mail: harwit@verizon.net [Center for Radiophysics and Space Research, Cornell University, Ithaca, NY 14853 (United States)

2015-02-20

We describe an equilibrium model that links the metallicity of low-redshift galaxies to stellar evolution models. It enables the testing of different stellar initial mass functions and metal yields against observed galaxy metallicities. We show that the metallicities of more than 80,000 Sloan Digital Sky Survey galaxies in the low-redshift range 0.07 ≤ z ≤ 0.3 considerably constrain stellar evolution models that simultaneously relate galaxy stellar mass, metallicity, and star formation rates to the infall rate of low-metallicity extragalactic gas and outflow of enriched matter. A feature of our model is that it encompasses both the active star forming phases of a galaxy and epochs during which the same galaxy may lie fallow. We show that the galaxy mass-metallicity-star formation relation can be traced to infall of extragalactic gas mixing with native gas from host galaxies to form stars of observed metallicities, the most massive of which eject oxygen into extragalactic space. Most consequential among our findings is that, on average, extragalactic infall accounts for one half of the gas required for star formation, a ratio that is remarkably constant across galaxies with stellar masses ranging at least from M* = 2 × 10{sup 9} to 6 × 10{sup 10} M {sub ☉}. This leads us to propose that star formation is initiated when extragalactic infall roughly doubles the mass of marginally stable interstellar clouds. The processes described may also account quantitatively for the metallicity of extragalactic space, though to check this the fraction of extragalactic baryons will need to be more firmly established.

Electrochemical Stability of Li{sub 6.5}La{sub 3}Zr{sub 1.5}M{sub 0.5}O{sub 12} (M = Nb or Ta) against Metallic Lithium

Energy Technology Data Exchange (ETDEWEB)

Kim, Yunsung [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI (United States); Yoo, Aeri [Department of Advanced Materials Engineering, Korea Polytechnic University, Siheung (Korea, Republic of); Schmidt, Robert; Sharafi, Asma [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI (United States); Lee, Heechul [Department of Advanced Materials Engineering, Korea Polytechnic University, Siheung (Korea, Republic of); Wolfenstine, Jeff [Army Research Laboratory, RDRL-SED-C, Adelphi, MD (United States); Sakamoto, Jeff, E-mail: jeffsaka@umich.edu [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI (United States)

2016-05-20

The electrochemical stability of Li{sub 6.5}La{sub 3}Zr{sub 1.5}Nb{sub 0.5}O{sub 12} (LLZNO) and Li{sub 6.5}La{sub 3}Zr{sub 1.5}Ta{sub 0.5}O{sub 12} (LLZTO) against metallic Li was studied using direct current (DC) and electrochemical impedance spectroscopy (EIS). Dense polycrystalline LLZNO (ρ = 97%) and LLZTO (ρ = 92%) were made using sol–gel synthesis and rapid induction hot-pressing at 1100°C and 15.8 MPa. During DC cycling tests at room temperature (± 0.01 mA/cm{sup 2} for 36 cycles), LLZNO exhibited an increase in Li–LLZNO interface resistance and eventually short-circuiting while the LLZTO was stable. After DC cycling, LLZNO appeared severely discolored while the LLZTO did not change in appearance. We believe the increase in Li–LLZNO interfacial resistance and discoloration are due to reduction of Nb{sup 5+} to Nb{sup 4+}. The negligible change in interfacial resistance and no color change in LLZTO suggest that Ta{sup 5+} may be more stable against reduction than Nb{sup 5+} in cubic garnet versus Li during cycling.

Improving the Kinetics and Thermodynamics of Mg(BH<sub>4sub>)>2sub> for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Wood, Brandon [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Klebanoff, Lennie [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stavila, Vitalie [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Heo, Tae Wook [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ray, Keith [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lee, Jonathan [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Baker, Alex [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Kang, ShinYoung [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Yu, Hui-Chia [Univ. of Michigan, Ann Arbor, MI (United States); Thornton, Katsuyo [Univ. of Michigan, Ann Arbor, MI (United States)

2017-10-31

The objective of this project is to (1) combine theory, synthesis, and characterization across multiple scales to understand the intrinsic kinetic and thermodynamic limitations in MgB<sub>2sub>/Mg(BH>4sub>)>2sub>; (2) construct and apply a flexible, validated, multiscale theoretical framework for modeling (de)hydrogenation kinetics of the Mg-B-H system and related metal hydrides; and (3) devise strategies for improving kinetics and thermodynamics, particularly through nanostructuring and doping. The project has an emphasis on understanding and improving rehydrogenation of MgB<sub>2sub>, which has generally been less explored and is key to enabling practical use.

Submicron and nano formulations of titanium dioxide and zinc oxide stimulate unique cellular toxicological responses in the green microalga Chlamydomonas reinhardtii

Energy Technology Data Exchange (ETDEWEB)

Gunawan, Cindy, E-mail: c.gunawan@unsw.edu.au [ARC Centre of Excellence for Functional Nanomaterials, School of Chemical Engineering, The University of New South Wales, Sydney, NSW (Australia); Sirimanoonphan, Aunchisa [ARC Centre of Excellence for Functional Nanomaterials, School of Chemical Engineering, The University of New South Wales, Sydney, NSW (Australia); Teoh, Wey Yang [Clean Energy and Nanotechnology (CLEAN) Laboratory, School of Energy and Environment, City University of Hong Kong, Kowloon, Hong Kong Special Administrative Region (Hong Kong); Marquis, Christopher P., E-mail: c.marquis@unsw.edu.au [School of Biotechnology and Biomolecular Sciences, The University of New South Wales, Sydney, NSW (Australia); Amal, Rose [ARC Centre of Excellence for Functional Nanomaterials, School of Chemical Engineering, The University of New South Wales, Sydney, NSW (Australia)

2013-09-15

Highlights: • Uptake of TiO{sub 2} solids by C. reinhardtii generates ROS as an early stress response. • Submicron and nanoTiO{sub 2} exhibit benign effect on cell proliferation. • Uptake of ZnO solids and leached zinc by C. reinhardtii inhibit the alga growth. • No cellular oxidative stress is detected with submicron and nano ZnO exposure. • The toxicity of particles is not necessarily mediated by cellular oxidative stress. -- Abstract: The work investigates the eco-cytoxicity of submicron and nano TiO{sub 2} and ZnO, arising from the unique interactions of freshwater microalga Chlamydomonas reinhardtii to soluble and undissolved components of the metal oxides. In a freshwater medium, submicron and nano TiO{sub 2} exist as suspended aggregates with no-observable leaching. Submicron and nano ZnO undergo comparable concentration-dependent fractional leaching, and exist as dissolved zinc and aggregates of undissolved ZnO. Cellular internalisation of solid TiO{sub 2} stimulates cellular ROS generation as an early stress response. The cellular redox imbalance was observed for both submicron and nano TiO{sub 2} exposure, despite exhibiting benign effects on the alga proliferation (8-day EC50 > 100 mg TiO{sub 2}/L). Parallel exposure of C. reinhardtii to submicron and nano ZnO saw cellular uptake of both the leached zinc and solid ZnO and resulting in inhibition of the alga growth (8-day EC50 ≥ 0.01 mg ZnO/L). Despite the sensitivity, no zinc-induced cellular ROS generation was detected, even at 100 mg ZnO/L exposure. Taken together, the observations confront the generally accepted paradigm of cellular oxidative stress-mediated cytotoxicity of particles. The knowledge of speciation of particles and the corresponding stimulation of unique cellular responses and cytotoxicity is vital for assessment of the environmental implications of these materials.

Continuous preparation of Fe{sub 3}O{sub 4} nanoparticles through Impinging Stream-Rotating Packed Bed reactor and their electrochemistry detection toward heavy metal ions

Energy Technology Data Exchange (ETDEWEB)

Fan, Hong-Lei [Shanxi Province Key Laboratory of Higee-Oriented Chemical Engineering, North University of China, Taiyuan, 030051 (China); Zhou, Shao-Feng [Shanxi Province Key Laboratory of Functional Nanocomposites, North University of China, Taiyuan, 030051 (China); Gao, Jing [Shanxi Province Key Laboratory of Higee-Oriented Chemical Engineering, North University of China, Taiyuan, 030051 (China); Liu, You-Zhi, E-mail: lyzzhongxin@126.com [Shanxi Province Key Laboratory of Higee-Oriented Chemical Engineering, North University of China, Taiyuan, 030051 (China)

2016-06-25

We reported the continuous preparation and electrochemical behavior toward heavy metal ions of the Fe{sub 3}O{sub 4} nanoparticles (Fe{sub 3}O{sub 4} NPs). This Fe{sub 3}O{sub 4} NPs were fabricated through a novel Impinging Stream-Rotating Packed Bed reactor with a high production rate of 2.23 kg/hour. The as-prepared Fe{sub 3}O{sub 4} NPs were quasi-spherical with a mean diameter of about 10 nm and shown the characteristics of superparamagnetism with the saturated magnetization of 60.5 emu/g. The electrochemical characterization of the as-prepared Fe{sub 3}O{sub 4} NPs toward heavy metal ions were evaluated using square wave anodic stripping voltammetry (SWASV) analysis. The results indicated that the modified electrode could be used to individual detection of Pb(II), Cu(II), Hg(II) and Cd(II). In particular, the modified electrode exhibited the selective detection toward Pb(II) with higher sensitivity of 14.9 μA/μM, while the response to Cu(II), Hg(II) and Cd(II) were negligible. Besides, the modified electrode shown good stability and potential practical applicability in the electrochemical determination of Pb(II). This above results offered a simple method for continuous preparation sensing materials in the application field of electrochemical detection of toxic metal ions through the technology of process intensification. - Highlights: • Fe{sub 3}O{sub 4} nanoparticles were continuous prepared through IS-RPB reactor. • The Fe{sub 3}O{sub 4} nanoparticles showed selective detection of heavy metal ions. • It exhibited favorable sensitivity (14.9 μA μM{sup −1}) and LOD (0.119 μM) for Pb(II). • The as-prepared nanoparticles showed favorable potential application.

Preparation and properties of Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Zhang, Ling; Ma, XiuHua [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Li, Qiang, E-mail: qli@xju.edu.cn [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Zhang, Jijun [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Dong, Yaqiang; Chang, Chuntao [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China)

2014-09-01

Highlights: • Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} (x = 20–50 at.%) BMGs were prepared by fluxing and J-quenching techniques. • The highest GFA is reached at x = 40 and the corresponding critical diameter is up to 2.5 mm. • The present FeNi-based BMGs exhibit very large ε{sub p} and the ε{sub p} of Fe{sub 30}Ni{sub 50}P{sub 14}B{sub 6} BMG is 11.7%. • The present FeNi-based BMGs have much higher corrosion resistance than stainless steel. - Abstract: Bulk Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} (x = 20, 30, 40, 50 at.%) glassy alloy rods with the diameters of 1.0–2.5 mm were synthesized by combining fluxing technique and J-quenching technique. The glassy alloy rods were characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and vibrating sample magnetometer (VSM). It is found that the range of supercooled liquid region (ΔT{sub x}) is 27–32 K. The saturation magnetization of Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} (x = 20, 30, 40, 50 at.%) bulk glassy alloys gradually decreases from 1.13 T to 0.58 T with increasing Ni content from x = 20 to x = 50. More importantly, the present quaternary FeNiPB bulk metallic glasses (BMGs) shows a significant plastic strain, in particular, the plastic strain of Fe{sub 30}Ni{sub 50}P{sub 14}B{sub 6} BMG reaches as high as 11.7%. The corrosion resistance of the present FeNiPB BMGs was studied by weight-loss method, potentiodynamic polarization curves and scanning electron microscopy (SEM). It is shown that the corrosion resistance of the present FeNiPB BMGs in 0.5 M NaCl and 1 M HCl solution increases with Ni content, and further the present FeNiPB BMGs exhibit larger E{sub corr} values and lower I{sub corr} values, i.e. higher corrosion resistances, than that of stainless steel.

Damage free Ar ion plasma surface treatment on In{sub 0.53}Ga{sub 0.47}As-on-silicon metal-oxide-semiconductor device

Energy Technology Data Exchange (ETDEWEB)

Koh, Donghyi; Shin, Seung Heon; Ahn, Jaehyun; Sonde, Sushant; Banerjee, Sanjay K. [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, 10100 Burnet Road, Austin, Texas 78758 (United States); Kwon, Hyuk-Min [SK Hynix, Icheon, 2091, Gyeongchung-daero, Bubal-eub, Icheon-si, Gyeonggi-do 136-1 (Korea, Republic of); Orzali, Tommaso; Kim, Tae-Woo, E-mail: twkim78@gmail.com [SEMATECH Inc., 257 Fuller Rd #2200, Albany, New York 12203 (United States); Kim, Dae-Hyun [Kyungpook National University, 80, Daehak-ro, Buk-gu, Daegu 702-701 (Korea, Republic of)

2015-11-02

In this paper, we investigated the effect of in-situ Ar ion plasma surface pre-treatment in order to improve the interface properties of In{sub 0.53}Ga{sub 0.47}As for high-κ top-gate oxide deposition. X-ray photoelectron spectroscopy (XPS) and metal-oxide-semiconductor capacitors (MOSCAPs) demonstrate that Ar ion treatment removes the native oxide on In{sub 0.53}Ga{sub 0.47}As. The XPS spectra of Ar treated In{sub 0.53}Ga{sub 0.47}As show a decrease in the AsO{sub x} and GaO{sub x} signal intensities, and the MOSCAPs show higher accumulation capacitance (C{sub acc}), along with reduced frequency dispersion. In addition, Ar treatment is found to suppress the interface trap density (D{sub it}), which thereby led to a reduction in the threshold voltage (V{sub th}) degradation during constant voltage stress and relaxation. These results outline the potential of surface treatment for III-V channel metal-oxide-semiconductor devices and application to non-planar device process.

Parameters affecting the production of Al-Al/sub 2/O/sub 3/ metal matrix particulate composite, (MMPC)

International Nuclear Information System (INIS)

Zaid, A.I.O.; Jaber, F.

2003-01-01

Aluminum-ceramic composites were made by powder metallurgy up to early 80's. Since then several attempts Metal have been made to produce these composites by liquid metallurgy method. Different techniques have been reported to produce these composites by this method and many difficulties have been encountered in wetting the particles by the molten metal due to the difference in densities which caused non uniform distribution of the particles in the matrix resulting in poor mechanical strength. In this paper, the production of aluminum-aluminum oxide (Al-Al/sub 2/O/sub 3/) metal matrix composite by different techniques is investigated. These include injection, centrifugal vortex, compocasting and a newly suggested method, modified vortex technique. The effect of the process parameters are investigated and discussed and the optimum process conditions were determined. It was found that preheating of the alumina powder for one hour at 1050 deg. before introducing it to the aluminum melt is vital to be accepted by the melt. Incorporation of the alumina particles by injecting them below the surface of the melt resulted in better wettability of the particles but no more than 10% volume fraction was achieved. Similarly, in the centrifuged casting technique, the same volume fraction of the Al/sub 2/O/sub 3/ particles was obtained and in both techniques existence of porosity was observed. The vortex technique, when its parameters were optimized resulted in higher volume fraction, as 25% of alumina particles was achieved with better particle distribution than those obtained by the injection and centrifuged casting methods. Comparison among the different techniques is made based on volume fraction, particle distribution, soundness and micro segregation. A new method, based on modifying the vortex technique is given and discussed. The mechanical strength and hardness of Al-Al/sub 2/O/sub 3/ MMPC produced by this method were determined. It was found that an increase of 100% in

Electronic properties of new superconductors based on Ca(Al sub x Si sub 1 sub - sub x) sub 2 and Sr(Ga sub x Si sub 1 sub - sub x) sub 2 in crystal and nanotubular states

CERN Document Server

Shein, I R; Medvedeva, N I; Ivanovskij, A L

2002-01-01

The zone structures of the new Ca(Al sub x Si sub 1 sub - sub x) sub 2 and Sr(Ga sub x Si sub 1 sub - sub x) sub 2 layered superconductors (AlB sub 2 -type) are studied through the LMTO first-principle full-potential method. It is shown that the superconducting properties of the ternary silicides is conditioned by high density of the (Ca, Sr)d-states near the Fermi level, whereas the T sub C growth by the Sr(Ga sub x Si sub 1 sub - sub x) sub 2 -> Ca(Al sub x Si sub 1 sub - sub x) sub 2 transition is related to the increase in the photon frequencies due to the atoms mass decrease. Modeling the electron properties of the hypothetical (11, 11) and (20, 0) CaAlSi and SrGaSi nanotubes is accomplished. The silicide systems by transition from the crystalline to nanotubular state retain the metal-like properties. The template and film convolution methods may become the methods for obtaining the silicide nanotubes

Genetic toxicology of metal compounds. I. Induction of lambda prophage in E coli WP2/sub s/(lambda)

Energy Technology Data Exchange (ETDEWEB)

Rossman, T.G.; Molina, M.; Meyer, L.W.

1984-01-01

A number of metal compounds have been shown to be human carcinogens. Others, while not proven human carcinogens, are able to cause tumors in laboratory animals. Short-term bacterial assays for genotoxic effects have not been successful in predicting the carcinogenicity of metal compounds. The authors report here the ability of some metal compounds to cause the induction of lambda prophage in E coli WP2/sub s/(lambda). By far the strongest inducing ability was observed with K/sub 2/CrO/sub 4/, followed by Pb(NO/sub 3/)/sub 2/ > Ni(OOCCH/sub 3/)/sub 2/ > CrCl/sub 2/ > NaWO/sub 4/ > Na/sub 2/MoO/sub 4/ > KMnO/sub 4/. With the exception of chromate, long-term exposures in a narrow, subtoxic dose range were required in order to demonstrate phage induction. A new microtiter assay for lambda prophage induction, which incorporates these features, is described. This system also was able to detect very small amounts of organic carcinogens.

AC losses of single-core MgB{sub 2} wires with different metallic sheaths

Energy Technology Data Exchange (ETDEWEB)

Kováč, J., E-mail: elekjkov@savba.sk; Šouc, J.; Kováč, P.; Hušek, I.

2015-12-15

Highlights: • AC losses in single-core MgB{sub 2} wires with different metallic sheaths have been measured. • It has been shown that metallic sheath can affect the measured AC loss considerably. • GlidCop and Stainless Steel have negligible effect to the overall loss. • Strong contribution of eddy currents has been found in the wire with well conductive copper sheath. • Due to Monel sheath AC loss of MgB{sub 2} core is not visible. - Abstract: AC losses of single-core MgB{sub 2} superconductors with different metallic sheaths (Cu, GlidCop, stainless steel and Monel) have been measured and analyzed. These wires were exposed to external magnetic field with frequencies 72 and 144 Hz and amplitudes up to 0.1 T at temperatures ranged from 18 to 40 K. The obtained results have shown that applied metallic sheath can affect the measured AC loss considerably. In the case of GlidCop and Stainless Steel a negligible small effect of metallic sheath was observed. Strong contribution of eddy currents has been found in the wire with well conductive copper sheath. In the case of Monel sheath, the hysteresis loss of magnetic sheath is dominated and AC loss of MgB{sub 2} core is practically not visible.

O{sub 2} adsorption and dissociation on the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) tri-metallic nanoparticles: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Li, Sha; Yang, Yongpeng; Huang, Shiping, E-mail: huangsp@mail.buct.edu.cn

2017-07-15

Highlights: • O{sub 2} adsorption and dissociation on Pd{sub 13-n}Ni{sub n}@Pt{sub 42} NPs are performed by DFT. • Adsorption energies of O{sub 2} and O are strongly affected by the coordination number. • Adsorption energy and d-band center displays the opposite change tendency. • Ni{sub 13}@Pt{sub 42} is the most active catalyst among Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) NPs. - Abstract: Density functional theory calculations are performed to investigate O{sub 2} adsorption and dissociation on the icosahedral Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) tri-metallic nanoparticles. The parallel adsorption of O{sub 2} on Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) is stronger than the vertical adsorption. The adsorption of O{sub 2} on the bridge site (B1) is favorable in the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) nanoparticles, while the adsorption of O atom on the hollow site (H1) is preferred. The adsorption energies of O{sub 2} and O are strongly affected by the coordination number. Low coordination site shows strong adsorption of O{sub 2} and O on the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) nanoparticles. The adsorption energies of O{sub 2} and O atoms are found to be correlated well with the d-band center of surface Pt. For the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and13) nanoparticles catalysts, the ORR activity follows the order of Ni{sub 13}@Pt{sub 42} > Pd{sub 13}@Pt{sub 42} > Pd{sub 12}Ni{sub 1}@Pt{sub 42} > Pd{sub 1}Ni{sub 12}@Pt{sub 42}, illustrating that the Ni{sub 13}@Pt{sub 42} is the strongest ORR activity among the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and13) nanoparticles catalysts. Our results have important significance to understand the mechanism of O{sub 2} dissociation on the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) tri-metallic nanoparticles.

Quantifying the Sub-Cellular Distributions of Gold Nanospheres Uptaken by Cells through Stepwise, Site-Selective Etching.

Science.gov (United States)

Xia, Younan; Huo, Da

2018-04-10

A quantitative understanding of the sub-cellular distributions of nanoparticles uptaken by cells is important to the development of nanomedicine. With Au nanospheres as a model system, here we demonstrate, for the first time, how to quantify the numbers of nanoparticles bound to plasma membrane, accumulated in cytosol, and entrapped in lysosomes, respectively, through stepwise, site-selective etching. Our results indicate that the chance for nanoparticles to escape from lysosomes is insensitive to the presence of targeting ligand although ligand-receptor binding has been documented as a critical factor in triggering internalization. Furthermore, the presence of serum proteins is shown to facilitate the binding of nanoparticles to plasma membrane lacking the specific receptor. Collectively, these findings confirm the potential of stepwise etching in quantitatively analyzing the sub-cellular distributions of nanoparticles uptaken by cells in an effort to optimize the therapeutic effect. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sub-cellular mRNA localization modulates the regulation of gene expression by small RNAs in bacteria

Science.gov (United States)

Teimouri, Hamid; Korkmazhan, Elgin; Stavans, Joel; Levine, Erel

2017-10-01

Small non-coding RNAs can exert significant regulatory activity on gene expression in bacteria. In recent years, substantial progress has been made in understanding bacterial gene expression by sRNAs. However, recent findings that demonstrate that families of mRNAs show non-trivial sub-cellular distributions raise the question of how localization may affect the regulatory activity of sRNAs. Here we address this question within a simple mathematical model. We show that the non-uniform spatial distributions of mRNA can alter the threshold-linear response that characterizes sRNAs that act stoichiometrically, and modulate the hierarchy among targets co-regulated by the same sRNA. We also identify conditions where the sub-cellular organization of cofactors in the sRNA pathway can induce spatial heterogeneity on sRNA targets. Our results suggest that under certain conditions, interpretation and modeling of natural and synthetic gene regulatory circuits need to take into account the spatial organization of the transcripts of participating genes.

Uranium metalla-allenes with carbene imido R{sub 2}C=U{sup IV}=NR' units (R=Ph{sub 2}PNSiMe{sub 3}; R'=CPh{sub 3}): alkali-metal-mediated push-pull effects with an amido auxiliary

Energy Technology Data Exchange (ETDEWEB)

Lu, Erli; Tuna, Floriana; Kaltsoyannis, Nikolas; Liddle, Stephen T. [School of Chemistry, The University of Manchester (United Kingdom); Lewis, William [School of Chemistry, The University of Nottingham (United Kingdom)

2016-08-08

We report uranium(IV)-carbene-imido-amide metalla-allene complexes [U(BIPM{sup TMS})(NCPh{sub 3})(NHCPh{sub 3})(M)] (BIPM{sup TMS}=C(PPh{sub 2}NSiMe{sub 3}){sub 2}; M=Li or K) that can be described as R{sub 2}C=U=NR' push-pull metalla-allene units, as organometallic counterparts of the well-known push-pull organic allenes. The solid-state structures reveal that the R{sub 2}C=U=NR' units adopt highly unusual cis-arrangements, which are also reproduced by gas-phase theoretical studies conducted without the alkali metals to remove their potential structure-directing roles. Computational studies confirm the double-bond nature of the U=NR' and U=CR{sub 2} interactions, the latter increasingly attenuated by potassium then lithium when compared to the hypothetical alkali-metal-free anion. Combined experimental and theoretical data show that the push-pull effect induced by the alkali metal cations and amide auxiliary gives a fundamental and tunable structural influence over the C=U{sup IV}=N units. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Transesterification of palm oil on K{sub y}Mg{sub 1} {sub -} {sub x}Zn{sub 1} {sub +} {sub x}O{sub 3} catalyst: Effect of Mg-Zn interaction

Energy Technology Data Exchange (ETDEWEB)

Olutoye, M.A.; Hameed, B.H. [School of Chemical Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia)

2010-06-15

The Mg-Zn interaction effect of K{sub y}Mg{sub 1} {sub -} {sub x}Zn{sub 1} {sub +} {sub x}O{sub 3} heterogeneous type catalyst and its performance on transesterification of palm oil have been studied using the response surface methodology and the factorial design of experiments. The catalyst was synthesized using the co-precipitation method and the activity was assessed by transesterification of palm oil into fatty acid methyl esters. The ratio of the Mg/Zn metal interaction, temperature and time of calcination were found to have positive influence on the conversion of palm oil to fatty acid methyl ester (FAME) with the effect of metal to metal ratio and temperature of calcination being more significant. The catalytic activity was found to decrease at higher calcination temperature and the catalyst type K{sub 2}Mg{sub 0.34}Zn{sub 1.66}O{sub 3} with Mg/Zn ratio of 4.81 gave FAME content of 73% at a catalyst loading of 1.404 wt.% of oil with molar ratio of methanol to oil being 6:1 at temperature of 150 C in 6 h. A regression model was obtained to predict conversions to methyl esters as a function of metal interaction ratio, temperature of calcination and time. The observed activity of the synthesized catalyst was due to its synergetic structure and composition. (author)

The coloring problem in the solid-state metal boride carbide ScB{sub 2}C{sub 2}. A theoretical analysis

Energy Technology Data Exchange (ETDEWEB)

Lassoued, Souheila [Universite de Rennes, Ecole Nationale Superieure de Chimie, UMR 6226 CNRS (France). Inst. des Sciences Chimiques; Universite Kasdi Merbah-Ouargla (Algeria). Faculte des Mathematiques et des Sciences de la Matiere; Boucher, Benoit [Universite de Rennes, Ecole Nationale Superieure de Chimie, UMR 6226 CNRS (France). Inst. des Sciences Chimiques; Max-Planck-Institut fuer Chemische Physik Fester Stoffe, Dresden (Germany); Boutarfaia, Ahmed [Universite Kasdi Merbah-Ouargla (Algeria). Faculte des Mathematiques et des Sciences de la Matiere; Gautier, Regis; Halet, Jean-Francois [Universite de Rennes, Ecole Nationale Superieure de Chimie, UMR 6226 CNRS (France). Inst. des Sciences Chimiques

2016-08-01

The electronic properties of the layered ternary metal boride carbide ScB{sub 2}C{sub 2}, the structure of which consists of B/C layers made of fused five- and seven-membered rings alternating with scandium sheets, are analyzed. In particular, the respective positions of the B and C atoms (the so-called coloring problem) are tackled using density functional theory, quantum theory of atoms in molecules, and electron localizability indicator calculations. Results reveal that (i) the most stable coloring minimizes the number of B-B and C-C contacts and maximizes the number of boron atoms in the heptagons, (ii) the compound is metallic in character, and (iii) rather important covalent bonding occurs between the metallic sheets and the boron-carbon network.

First-principles calculations of a half-metallic ferromagnet zinc blende Zn{sub 1−x}V{sub x}Te

Energy Technology Data Exchange (ETDEWEB)

El Amine Monir, M.; Baltache, H. [Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 (Algeria); Murtaza, G. [Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar (Pakistan); Azam, Sikander [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University Setif 1, 19000 Setif (Algeria); Al-Douri, Y. [Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Ali, Roshan [Materials Modeling Lab, Department of Physics, Post Graduate Jahanzeb College, Swat (Pakistan)

2015-03-15

First-principles calculations have been used to study the structural, elastic, electronic, magnetic and thermal properties of zinc blende Zn{sub 1−x}V{sub x}Te for x=0, 0.25, 0.50, 0.75 and 1 using the full-potential linearized augmented plane wave method (FP-LAPW) based on spin-polarized density functional theory (DFT). The electronic exchange-correlation potential is approached using the spin generalized gradient approximation (spin-GGA). The structural properties of the Zn{sub 1−x}V{sub x}Te alloys (x=0, 0.25, 0.50, 0.75 and 1) are given for the lattice constants and the bulk moduli and their pressure derivatives. The elastic constants C{sub 11}, C{sub 12} and C{sub 44} are calculated using numerical first-principles calculations implemented in the WIEN2k package. An analysis of the band structures and the densities of states reveals that Zn{sub 0.50}V{sub 0.50}Te and Zn{sub 0.75}V{sub 0.25}Te exhibit a half-metallic character, while Zn{sub 0.25}V{sub 0.75}Te is nearly half-metallic. The band structure calculations are used to estimate the spin-polarized splitting energies Δ{sub x}(d) and Δ{sub x}(pd) produced by the V(3d)-doped and s(p)–d exchange constants N{sub 0α} (conduction band) and N{sub 0β} (valence band). The p–d hybridization reduces the magnetic moment of V from its atomic charge value of 3µ{sub B} and creates small local magnetic moments on the nonmagnetic Zn and Te sites. Finally, we present the thermal effect on the macroscopic properties of these alloys, such as the thermal expansion coefficient, heat capacity and Debye temperature, based on the quasi-harmonic Debye model. - Highlights: • Some physical properties of Vanadium doped ZnTe have been investigated. • Structural parameters for the parent compounds compare well with the available data. • The elastic and thermal properties are studied for the first time.

Investigation of SiO{sub 2}:Na{sub 2}O ratio as a corrosion inhibitor for metal alloys

Energy Technology Data Exchange (ETDEWEB)

Mohamad, N.; Othman, N. K. [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia); Jalar, A. [Institute of Micro Engineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia)

2013-11-27

The silicate is one of the potential compounds used as a corrosion inhibitor for metal alloys. The mixture between silica and sodium hydroxide (NaOH) succeeded to produce the silicate product. The formulation of a silicate product normally variable depended by the different ratio of SiO{sub 2}:Na{sub 2}O. This research utilized the agriculture waste product of paddy using its rice husk. In this study, the amorphous silica content in rice husk ash was used after rice husk burnt in a muffle furnace at a certain temperature. The X-ray diffraction (XRD) analysis was done to determine the existence of amorphous phase of silica in the rice husk ash. There are several studies that recognized rice husk as an alternative source that obtained high silica content. The X-ray fluorescence (XRF) analysis was carried out to clarify the percentage amount of Si and O elements, which referred the silica compound in rice husk ash. The preparation of sodium silicate formulation were differ based on the SiO{sub 2}:Na{sub 2}O ratio (SiO{sub 2}:Na{sub 2}O ratio = 1.00, 2.00 and 3.00). These silicate based corrosion inhibitors were tested on several testing samples, which were copper (99.9%), aluminum alloy (AA 6061) and carbon steel (SAE 1045). The purpose of this study is to determine the appropriate SiO{sub 2}:Na{sub 2}O ratio and understand how this SiO{sub 2}:Na{sub 2}O ratio can affect the corrosion rate of each metal alloys immersed in acidic medium. In order to investigate this study, weight loss test was conducted in 0.5 M hydrochloric acid (HCl) for 24 hours at room temperature.

Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi{sub 2}CuSe{sub 3}I and Bi{sub 6}Cu{sub 3}S{sub 10}I

Energy Technology Data Exchange (ETDEWEB)

Liang, I-Chu [Department of Chemistry, and Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan 701, Taiwan (China); Bilc, Daniel I. [Department of Molecular & Biomolecular Physics, National Institute for Research & Development of Isotopic & Molecular Technologies, Cluj-Napoca 400293 (Romania); Manoli, Maria [Department of Mechanical and Manufacturing Engineering, University of Cyprus, 1678 Nicosia (Cyprus); Chang, Wei-Yun; Lin, Wen-Fu [Department of Chemistry, and Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan 701, Taiwan (China); Kyratsi, Theodora [Department of Mechanical and Manufacturing Engineering, University of Cyprus, 1678 Nicosia (Cyprus); Hsu, Kuei-Fang [Department of Chemistry, and Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan 701, Taiwan (China)

2016-02-15

Two new metal chalcoiodides were synthesized by solid-state reactions at 400 °C. Crystal Data: Bi{sub 2}CuSe{sub 3}I, 1, monoclinic, C2/m, a=14.243(2) Å, b=4.1937(7) Å, c=14.647(2) Å, β=116.095(2)°, V=785.7(2) Å{sup 3}, and Z=4; Bi{sub 6}Cu{sub 3}S{sub 10}I, 2, orthorhombic, Pnma, a=17.476(2) Å, b=4.0078(4) Å, c=27.391(2) Å, V=1918.5(3) Å{sup 3}, and Z=4. Compound 1 adopts a three-dimensional structure formed by two alternative layers, which consist of BiSe{sub 5} square pyramids, BiSe{sub 4}I{sub 2} octahedra, CuSe{sub 4} tetrahedra, and CuSe{sub 2}I{sub 2} tetrahedra. Compound 2 possesses a new open framework built up of BiS{sub 5} square pyramides, BiS{sub 6} octahedra, BiS{sub 8} polyhedra, and CuS{sub 4} tetrahedra where I{sup −} anions are uniquely trapped within the tunnels. Both electronic structures reveal that bismuth and chalcogenide orbitals dominate the bandgaps. The Cu d and I p states contribute to the top of valence bands, in which the distribution of I orbitals may correspond to the relative bonding interactions in 1 and 2. The optical bandgaps determined by the diffuse reflectance spectra are 0.68 eV and 0.72 eV for 1 and 2, respectively. 1 is a p-type semiconductor with high Seebeck coefficients of 460–575 μV/K in the temperature range of 300–425 K. The electrical conductivity is 0.02 S/cm at 425 K for the undoped sample. The thermal conductivity is 0.22 W/mK at 425 K. - Graphical abstract: The hybridization of chalcogenides and iodides produces two new solids Bi2CuSe3I and Bi6Cu3S10I. The I{sup −} anions participate in distinct bonding interactions within the two structures and that is consistent with the analyses of density of states. 1 is a p-type semiconductor with an optical bandgap of 0.68 eV, which possesses high Seebeck coefficient and low lattice thermal conductivity in 300–425 K.

Conduction and rectification in NbO{sub x}- and NiO-based metal-insulator-metal diodes

Energy Technology Data Exchange (ETDEWEB)

Osgood, Richard M., E-mail: richard.m.osgood.civ@mail.mil; Giardini, Stephen; Carlson, Joel [US Army Natick Soldier Research Development and Engineering Center (NSRDEC), 15 General Greene Ave., Natick, Massachusetts 01760 (United States); Periasamy, Prakash; Guthrey, Harvey; O' Hayre, Ryan [Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado 80401 (United States); Chin, Matthew; Nichols, Barbara; Dubey, Madan [RF and Electronics Division, US Army Research Laboratory, Adelphi, Maryland 20783 (United States); Fernandes, Gustavo; Kim, Jin Ho; Xu, Jimmy [Division of Engineering, Brown University, Box D, Providence, Rhode Island 02912 (United States); Parilla, Philip; Berry, Joseph; Ginley, David [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)

2016-09-15

Conduction and rectification in nanoantenna-coupled NbO{sub x}- and NiO-based metal-insulator-metal (MIM) diodes (“nanorectennas”) are studied by comparing new theoretical predictions with the measured response of nanorectenna arrays. A new quantum mechanical model is reported and agrees with measurements of current–voltage (I–V) curves, over 10 orders of magnitude in current density, from [NbO{sub x}(native)-Nb{sub 2}O{sub 5}]- and NiO-based samples with oxide thicknesses in the range of 5–36 nm. The model, which introduces new physics and features, including temperature, electron effective mass, and image potential effects using the pseudobarrier technique, improves upon widely used earlier models, calculates the MIM diode's I–V curve, and predicts quantitatively the rectification responsivity of high frequency voltages generated in a coupled nanoantenna array by visible/near-infrared light. The model applies both at the higher frequencies, when high-energy photons are incident, and at lower frequencies, when the formula for classical rectification, involving derivatives of the I–V curve, may be used. The rectified low-frequency direct current is well-predicted in this work's model, but not by fitting the experimentally measured I–V curve with a polynomial or by using the older Simmons model (as shown herein). By fitting the measured I–V curves with our model, the barrier heights in Nb-(NbO{sub x}(native)-Nb{sub 2}O{sub 5})-Pt and Ni-NiO-Ti/Ag diodes are found to be 0.41/0.77 and 0.38/0.39 eV, respectively, similar to literature reports, but with effective mass much lower than the free space value. The NbO{sub x} (native)-Nb{sub 2}O{sub 5} dielectric properties improve, and the effective Pt-Nb{sub 2}O{sub 5} barrier height increases as the oxide thickness increases. An observation of direct current of ∼4 nA for normally incident, focused 514 nm continuous wave laser beams are reported, similar in magnitude to recent reports

Metal-free indoline dye sensitized solar cells based on nanocrystalline Zn{sub 2}SnO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Huang, Lihua [Institute of New Energy Technology and Nano-Materials, Fuzhou University, Fuzhou, Fujian 350002 (China); Jiang, Lilong; Wei, Mingding [Institute of New Energy Technology and Nano-Materials, Fuzhou University, Fuzhou, Fujian 350002 (China); National Engineering Research Center for Chemical Fertilizer Catalyst, Fuzhou University, Fuzhou, Fujian 350002 (China)

2010-02-15

Zn{sub 2}SnO{sub 4} nanocrystals were synthesized and first used as the electrode materials for the metal-free indoline dyes sensitized solar cells (DSSCs). The highest efficiency of 3.08% was achieved for a D131 DSSC. This might be attributed to the fact that the D131 dye has a greater positive oxidation potential, which can lead to rapid dye regeneration, avoiding the geminate charge recombination between oxidized dye molecules and injected electrons in the Zn{sub 2}SnO{sub 4} film. The efficiency can be improved significantly using a mixture solution of D131 and N719 dyes for which an efficiency of 3.6% was obtained. (author)

Glass forming ability and magnetic properties of Co{sub (40.2−x)}Fe{sub (20.1+x)}Ni{sub 6.7}B{sub 22.7}Si{sub 5.3}Nb{sub 5} (x=0–10) bulk metallic glasses produced by suction casting

Energy Technology Data Exchange (ETDEWEB)

Sarlar, Kagan [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey); Physics Department, Kamil Ozdag Faculty of Sciences, Karamanoglu Mehmetbey University, YunusEmre Campus, 70100 Karaman (Turkey); Kucuk, Ilker, E-mail: ikucuk@uludag.edu.tr [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey)

2015-01-15

The effect of Fe concentration on the glass forming ability (GFA) and magnetic properties in Co{sub (40.2−x)}Fe{sub (20.1+x)}Ni{sub 6.7}B{sub 22.7}Si{sub 5.3}Nb{sub 5} (x=0–10) bulk metallic glasses were investigated. By suction casting method, the bulk metallic glasses with diameters up to 2 mm were produced. We try to find out which Fe concentration makes an influence on Co based system's magnetic properties and glass forming ability. The curves of thermal analysis, obtained using differential scanning calorimetry (DSC), show that the Co{sub (40.2−x)}Fe{sub (20.1+x)}Ni{sub 6.7}B{sub 22.7}Si{sub 5.3}Nb{sub 5} (x=0–10) have a supercooled liquid region (∆T{sub x}) of about 44 K. The saturation magnetizations (J{sub s}) for as-cast BMG alloys were in the range of 0.62 T−0.81 T. - Highlights: • The effect of Fe concentration on the glass forming ability. • The substitution of an appropriate amount of Fe can enhance the GFA. • The substitution of Fe for Co also improves soft magnetic properties of the BMGs. • The high of J{sub s} 0.62−0.81 T with a low H{sub c} of 2−289 A/m of the alloys.

Reacciones en estado sólido para el sistema Al-MoO<sub>3sub> en la fabricación de materiales compuestos Al<sub>2sub>O>3sub>-aluminuros de Mo

Directory of Open Access Journals (Sweden)

Marín, J.

2002-02-01

Full Text Available Ceramic matrix composites reinforced with metallic particles exhibit good mechanical properties. One research line has involved the fabrication of 3A (alumina-aluminide alloys composites via in situ consolidation of aluminum reactive powders mixed with a metallic oxide. In this paper the solid state reactions for the Al-MoO<sub>3sub> system and the effect of the precursor compositions for obtaining Al<sub>2sub>O>3sub> composites and intermetallic aluminides are studied. The reactions in vacuum for the 25 °C to 750 °C temperature range, and the microstructural evolution up to 1200 °C were studied. DTA-TG and DSC were used to determine that a heating rate of 1 °C/min at the critical range of 500-600 °C, resulted in controlled aluminothermic reactions. XRD and SEM showed that in the sintered composites a microstructure composed of an Al<sub>2sub>O>3sub> matrix and a Mo aluminide /metallic Mo dispersed phase was present. The precursor composition affects the dispersed phase in the composite (Mo aluminides and/or metallic Mo, the relative Al<sub>2sub>O>3sub> /second phase quantities, and the hardness of the composite sintered at 1450 °C.

Los materiales compuestos de matriz cerámica (CMC's de Al<sub>2sub>O>3sub> reforzados con partículas metálicas tienen propiedades mecánicas muy atractivas. Un área de investigación emergente es la fabricación de compuestos 3A (Alumina-Aluminide-Alloys, mediante la formación in situ de Al<sub>2sub>O>3sub> reforzada con metal elemental y/o aluminuros del metal, partiendo de polvos de aluminio y de óxidos metálicos. En este trabajo se estudian las reacciones en estado sólido para el sistema Al-MoO<sub>3sub>. Las reacciones de aluminotermia se estudian en vacío para el rango de temperaturas entre 25 °C y 750 °C y su evolución microestructural hasta 1.200 °C. Mediante análisis calorimétrico (DTA-TG y DSC se determinó que para una

The effect of metal cluster deposition route on structure and photocatalytic activity of mono- and bimetallic nanoparticles supported on TiO{sub 2} by radiolytic method

Energy Technology Data Exchange (ETDEWEB)

Klein, Marek [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Institute of Fluid-Flow Machinery, Polish Academy of Sciences, 80-231 Gdansk (Poland); Nadolna, Joanna, E-mail: joanna.nadolna@ug.edu.pl [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Department of Environmental Technology, University of Gdansk, 80-308 Gdansk (Poland); Gołąbiewska, Anna [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Mazierski, Paweł [Department of Environmental Technology, University of Gdansk, 80-308 Gdansk (Poland); Klimczuk, Tomasz [Department of Solid State Physics, Faculty of Applied Physics and Mathematics, Gdansk University of Technology, 80-233 Gdansk (Poland); Remita, Hynd [Laboratoire de Chimie Physique, CNRS-UMR 8000, Université Paris-Sud, Université Paris-Saclay, 91405 Orsay (France); CNRS, Laboratoire de Chimie Physique, UMR 8000, 91405 Orsay (France); Zaleska-Medynska, Adriana [Department of Chemical Technology, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Department of Environmental Technology, University of Gdansk, 80-308 Gdansk (Poland)

2016-08-15

Highlights: • Pd-Pt decorated TiO{sub 2} shows the highest activity under visible light among all. • Concurrent addition of metal precursors results in rise of BNPs size and Vis-activity. • Subsequent addition of metal precursors enhances UV–vis stability of modified TiO{sub 2}. • Superoxide radicals are responsible for pollutants degradation over BNPs-TiO{sub 2}. - Abstract: TiO{sub 2} (P25) was modified with small and relatively monodisperse mono- and bimetallic clusters (Ag, Pd, Pt, Ag/Pd, Ag/Pt and Pd/Pt) induced by radiolysis to improve its photocatalytic activity. The as-prepared samples were characterized by X-ray fluorescence spectrometry (XRF), photoluminescence spectrometry (PL), diffuse reflectance spectroscopy (DRS), X-ray powder diffractometry (XRD), scanning transition electron microscopy (STEM) and BET surface area analysis. The effect of metal type (mono- and bimetallic modification) as well as deposition method (simultaneous or subsequent deposition of two metals) on the photocatalytic activity in toluene removal in gas phase under UV–vis irradiation (light-emitting diodes- LEDs) and phenol degradation in liquid phase under visible light irradiation (λ > 420 nm) were investigated. The highest photoactivity under Vis light was observed for TiO{sub 2} co-loaded with platinum (0.1%) and palladium (0.1%) clusters. Simultaneous addition of metal precursors results in formation of larger metal nanoparticles (15–30 nm) on TiO{sub 2} surface and enhances the Vis-induced activity of Ag/Pd-TiO{sub 2} up to four times, while the subsequent metal ions addition results in formation of metal particle size ranging from 4 to 20 nm. Subsequent addition of metal precursors results in formation of BNPs (bimetallic nanoparticle) composites showing higher stability in four cycles of toluene degradation under UV–vis. Obtained results indicated that direct electron transfer from the BNPs to the conduction band of the semiconductor is responsible for

Cellular and molecular responses of E. fetida coelomocytes exposed to TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Bigorgne, Emilie, E-mail: emilie.bigorgne@univ-lorraine.fr; Foucaud, Laurent [Universite de Lorraine-Laboratoire des Interactions Ecotoxicologique Biodiversite Ecosystemes (LIEBE) (France); Caillet, Celine [Universite de Lorraine-Laboratoire Environnement et Mineralurgie (LEM) CNRS UMR7569 (France); Giamberini, Laure; Nahmani, Johanne [Universite de Lorraine-Laboratoire des Interactions Ecotoxicologique Biodiversite Ecosystemes (LIEBE) (France); Thomas, Fabien [Universite de Lorraine-Laboratoire Environnement et Mineralurgie (LEM) CNRS UMR7569 (France); Rodius, Francois [Universite de Lorraine-Laboratoire des Interactions Ecotoxicologique Biodiversite Ecosystemes (LIEBE) (France)

2012-07-15

An in vitro approach using coelomocytes of Eisenia fetida was investigated to evaluate toxicity of TiO{sub 2} nanoparticles. Coelomocytes were exposed to well-dispersed suspension of small aggregates (130 nm) of TiO{sub 2} nanoparticles (1-25 {mu}g/ml) during 4, 12 and 24 h. Intracellular localisation suggested that the main route of uptake was endocytosis. Cellular responses showed that TiO{sub 2} nanoparticles were not cytotoxic and had no effect on phagocytosis at any of the four concentrations for each time tested. Concerning molecular responses, an increase of fetidin and metallothionein mRNA expression was observed starting from 4 h of exposure. In contrast, expression of coelomic cytolytic factor mRNA decreased for 10 and 25 {mu}g/ml after 4 h. Superoxide dismutase, catalase and glutathione-S-transferase expression were not modified suggesting that oxidative stress was not induced by TiO{sub 2} in our experimental conditions. This in vitro approach showed that TiO{sub 2} nanoparticles were taken up by coelomocytes and they could modify the molecular response of immune and detoxification system.

Syntheses, crystal structures, and properties of the isotypic pair [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O and [In(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Van, Nguyen-Duc; Kleeberg, Fabian M.; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany)

2015-11-15

Single crystals of [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O and [In(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O were obtained by reactions of aqueous solutions of the acid (H{sub 3}O){sub 2}[B{sub 12}H{sub 12}] with chromium(III) hydroxide and indium metal shot, respectively. The title compounds crystallize isotypically in the trigonal system with space group R anti 3c (a = 1157.62(3), c = 6730.48(9) pm for the chromium, a = 1171.71(3), c = 6740.04(9) pm for the indium compound, Z = 6). The arrangement of the quasi-icosahedral [B{sub 12}H{sub 12}]{sup 2-} dianions can be considered as stacking of two times nine layers with the sequence..ABCCABBCA.. and the metal trications arrange in a cubic closest packed..abc.. stacking sequence. The metal trications are octahedrally coordinated by six water molecules of hydration, while another fifteen H{sub 2}O molecules fill up the structures as zeolitic crystal water or second-sphere hydrating species. Between these free and the metal-bonded water molecules, bridging hydrogen bonds are found. Furthermore, there is also evidence of hydrogen bonding between the anionic [B{sub 12}H{sub 12}]{sup 2-} clusters and the free zeolitic water molecules according to B-H{sup δ-}..{sup δ+}H-O interactions. Vibrational spectroscopy studies prove the presence of these hydrogen bonds and also show slight distortions of the dodecahydro-closo-dodecaborate anions from their ideal icosahedral symmetry (I{sub h}). Thermal decomposition studies for the example of [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O gave no hints for just a simple multi-stepwise dehydration process. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Studies on advanced superconductors for fusion device. Pt. 2. Metallic superconductors other than Nb{sub 3}Sn

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, K.; Yamamoto, J.; Mito, T. [eds.

1997-03-01

A comprehensive report on the present status of the development of Nb{sub 3}Sn superconductors was published as the NIFS-MEMO-20 in March, 1996 (Part 1 of this report series). The second report of this study covers various progress so far achieved in the research and development on advanced metallic superconductors other than Nb{sub 3}Sn. Among different A15 crystal-type compounds, Nb{sub 3}Al has been fabricated into cables with large current-carrying capacity for fusion device referring its smaller sensitivity to mechanical strain than Nb{sub 3}Sn. Other high-field A15 superconductors, e.g. V{sub 3}Ga, Nb{sub 3}Ge and Nb{sub 3}(Al,Ge), have been also fabricated through different novel processes as promising alternatives to Nb{sub 3}Sn conductors. Meanwhile, B1 crystal-type NbN and C15 crystal-type V{sub 2}(Hf,Zr) high-field superconductors are characterized by their excellent tolerance to mechanical strain and neutron irradiation. Chevrel-type PbMo{sub 6}S{sub 8} compound has gained much interests due to its extremely high upper critical field. In addition, this report includes the recent progress in ultra-fine filamentary NbTi wires for AC use, and that in NbTi/Cu magnetic shields necessary in the application of high magnetic field. The data on the decay of radioactivity in a variety of metals relating to fusion superconducting magnet are also attached as appendices. We hope that this report might contribute substantially as a useful reference for the planning of fusion apparatus of next generation as well as that of other future superconducting devices. (author)

Optimization of Additive-Powder Characteristics for Metallic Micro-Cell UO{sub 2} Fuel Pellet Fabrication

Energy Technology Data Exchange (ETDEWEB)

Kim, Dong-Joo; Kim, Keon Sik; Rhee, Young Woo; Kim, Jong Hun; Oh, Jang Soo; Yang, Jae Ho; Koo, Yang-Hyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2015-05-15

The improvement in the thermal conductivity of the UO{sub 2} fuel pellet can enhance the fuel performance in various aspects. The mobility of the fission gases is reduced by the lower temperature gradient in the UO{sub 2} fuel pellet. That is to say, the capability of the fission gas retention of the fuel pellet can increase. In addition, the lower centerline temperature of the fuel pellet affects the accident tolerance for nuclear fuel as well as the enhancement of fuel safety and fuel pellet integrity under normal operation conditions. The nuclear reactor power can be uprated owing to the higher safety margin. Thus, many researches on enhancing the thermal conductivity of a nuclear fuel pellet for LWRs have been performed. Typically, an enhancement of the thermal conductivity of the UO{sub 2} fuel pellet can be obtained by the addition of a higher thermal conductive material in the fuel pellet. To maximize the effect of the thermal conductivity enhancement, a continuous and uniform channel of the thermal conductive material in the UO{sub 2} matrix must be formed. To enhance the thermal conductivity of a UO{sub 2} fuel pellet, the development of fabrication process of a Cr metallic micro-cell UO{sub 2} pellet with a continuous and uniform channel of the Cr metallic phase was carried out. The formation of the Cr-oxide phases was prevented and the uniformity of the Cr-metal phase distribution was enhanced simultaneously, through the optimization of the additive-powder characteristics. In the results, the Cr metallic micro-cell pellet with continuous and uniform Cr metallic channel could be obtained.

Inelastic neutron scattering studies of TbNiAlH sub 1 sub . sub 4 and UNiAlH sub 2 sub . sub 0 hydrides

CERN Document Server

Bordallo, H N; Kolomiets, A V; Kalceff, W; Nakotte, H; Eckert, J

2003-01-01

The optical vibrations of hydrogen in TbNiAlH sub 1 sub . sub 4 and UNiAlH sub 2 sub . sub 0 were investigated by means of inelastic neutron scattering. The experimental data were analysed, including multiphonon neutron scattering contributions, calculated in an isotropic harmonic approximation. At least two fundamental H optical peaks were observed in TbNiAlH sub 1 sub . sub 4 , and were assigned to the vibrational modes of hydrogen atoms occupying different interstitial sites in the metal sublattice. The high-energy part of the UNiAlH sub 2 sub . sub 0 spectra is characterized by strong anharmonicity, and a broad fundamental band. The latter can be accounted for by a large dispersion of phonon modes due to the strong H-H interactions, and/or different metal-hydrogen force constants, which may originate from different metal atoms surrounding the H atoms in the unit cell.

Composition controlled spin polarization in Co{sub 1-x}Fe{sub x}S{sub 2} alloys

Energy Technology Data Exchange (ETDEWEB)

Leighton, C [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Manno, M [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Cady, A [Advanced Photon Source, Argonne National Laboratory (United States); Freeland, J W [Advanced Photon Source, Argonne National Laboratory (United States); Wang, L [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Umemoto, K [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Wentzcovitch, R M [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Chen, T Y [Department of Physics and Astronomy, Johns Hopkins University (United States); Chien, C L [Department of Physics and Astronomy, Johns Hopkins University (United States); Kuhns, P L [National High Magnetic Field Laboratory, Florida State University (United States); Hoch, M J R [National High Magnetic Field Laboratory, Florida State University (United States); Reyes, A P [National High Magnetic Field Laboratory, Florida State University (United States); Moulton, W G [National High Magnetic Field Laboratory, Florida State University (United States); Dahlberg, E D [School of Physics and Astronomy, University of Minnesota (United States); Checkelsky, J [Physics Department, Harvey Mudd College (United States); Eckert, J [Physics Department, Harvey Mudd College (United States)

2007-08-08

The transition metal (TM) chalcogenides of the form TMX{sub 2} (X = S or Se) have been studied for decades due to their interesting electronic and magnetic properties such as metamagnetism and metal-insulator transitions. In particular, the Co{sub 1-x}Fe{sub x}S{sub 2} alloys were the subject of investigation in the 1970s due to general interest in itinerant ferromagnetism. In recent years (2000-present) it has been shown, both by electronic structure calculations and detailed experimental investigations, that Co{sub 1-x}Fe{sub x}S{sub 2} is a model system for the investigation of highly spin polarized ferromagnetism. The radically different electronic properties of the two endpoint compounds (CoS{sub 2} is a narrow bandwidth ferromagnetic metal, while FeS{sub 2} is a diamagnetic semiconductor), in a system forming a substitutional solid solution allows for composition control of the Fermi level relative to the spin split bands, and therefore composition-controlled conduction electron spin polarization. In essence, the recent work has shown that the concept of 'band engineering' can be applied to half-metallic ferromagnets and that high spin polarization can be deliberately engineered. Experiments reveal tunability in both sign and magnitude of the spin polarization at the Fermi level, with maximum values obtained to date of 85% at low temperatures. In this paper we review the properties of Co{sub 1-x}Fe{sub x}S{sub 2} alloys, with an emphasis on properties of relevance to half-metallicity. Crystal structure, electronic structure, synthesis, magnetic properties, transport properties, direct probes of the spin polarization, and measurements of the total density of states at the Fermi level are all discussed. We conclude with a discussion of the factors that influence, or even limit, the spin polarization, along with a discussion of opportunities and problems for future investigation, particularly with regard to fundamental studies of spintronic devices.

Evidence for photo-induced monoclinic metallic VO{sub 2} under high pressure

Energy Technology Data Exchange (ETDEWEB)

Hsieh, Wen-Pin, E-mail: wphsieh@stanford.edu; Mao, Wendy L. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Geological and Environmental Sciences, Stanford University, Stanford, California 94305 (United States); Trigo, Mariano [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Reis, David A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Photon Science and Applied Physics, Stanford University, Stanford, California 94305 (United States); Andrea Artioli, Gianluca; Malavasi, Lorenzo [Dipartimento di Chimica, Sezione di Chimica Fisica, INSTM (UdR Pavia), Università di Pavia, Viale Taramelli 16, 27100 Pavia (Italy)

2014-01-13

We combine ultrafast pump-probe spectroscopy with a diamond-anvil cell to decouple the insulator-metal electronic transition from the lattice symmetry changing structural transition in the archetypal strongly correlated material vanadium dioxide. Coherent phonon spectroscopy enables tracking of the photo-excited phonon vibrational frequencies of the low temperature, monoclinic (M{sub 1})-insulating phase that transforms into the metallic, tetragonal rutile structured phase at high temperature or via non-thermal photo-excitations. We find that in contrast with ambient pressure experiments where strong photo-excitation promptly induces the electronic transition along with changes in the lattice symmetry, at high pressure, the coherent phonons of the monoclinic (M{sub 1}) phase are still clearly observed upon the photo-driven phase transition to a metallic state. These results demonstrate the possibility of synthesizing and studying transient phases under extreme conditions.

Superconductivity in Ba sub 1 sub - sub x K sub x BiO sub 3 : possible scenario of spatially separated Fermi-Bose mixture

CERN Document Server

Menushenkov, A P; Kuznetsov, A V; Kagan, M Y

2001-01-01

A new scenario for the metal-insulator phase transition and superconductivity in the perovskite-like bismuthates Ba sub 1 sub - sub x K sub x BiO sub 3 (BKBO) is proposed. It is shown that two types of charge carriers, the local pairs (real-space bosons) and the itinerant electrons, exist in the metallic compound BKBO (x >= 0.37). The real-space bosons are responsible for the charge transport in semiconducting BaBiO sub 3 and for superconductivity in the metallic BKBO. The appearance of the Fermi-liquid state as the percolation threshold is overcome (x >= 0.37) explains the observed metal-insulator phase transition. Because bosons and fermions occupy different types of the octahedral BiO sub 6 complexes, they are separated in real space, and therefore, the spatially separated Fermi-Bose mixture of a new type is likely to be realized in the bismuthates. The nature of superconductivity is consistently explained in the framework of this scenario. A new superconducting oxide Ba sub 1 sub - sub x La sub x PbO sub ...

Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Li, X. D.; Fang, Y. M.; Wu, S. Q., E-mail: zzhu@xmu.edu.cn, E-mail: wsq@xmu.edu.cn [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China); Zhu, Z. Z., E-mail: zzhu@xmu.edu.cn, E-mail: wsq@xmu.edu.cn [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China); Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005 (China)

2015-05-15

Single adsorption of different atoms on pristine two-dimensional monolayer MoS{sub 2} have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS{sub 2}. Additionally, local or long-range magnetic moments of two-dimensional MoS{sub 2} sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS{sub 2} monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

Preparation of Photo catalytic Materials Based on Bi{sub 4}Ti{sub 3}O{sub 1}2 Doped with Transition Metals; Preparacion de Materiales Fotocatalizadores Basados en Bi{sub 4}Ti{sub 3}O{sub 1}2 Dopados con Metales de Transicion

Energy Technology Data Exchange (ETDEWEB)

Calatalyud, D. G.; Rodriguez, M.; Gallego, B.; Fernandez-Hevia, D.; Jardiel, T.

2012-07-01

The production of hydrogen from water using ceramic semiconductors with photo catalytic properties has gained special relevance in the last years, due to their potential use for the generation of hydrogen in a direct and clean way. Doping with transition metals has demonstrated to be an effective method to obtain new active photo catalysts in the visible range of the solar spectrum by changing the band gap of the material. In this paper we study the effect of the addition of various dopants (Fe, Ni, Cr, Mn, Co, Cu) in the structure and band gap of Bi{sub 4}Ti{sub 3}O{sub 1}2, in order to improve its photo catalytic activity and make it visible light active. Accordingly, doped BIT based materials have been obtained by solid state processing and different amounts of an additional phase with sillenite structure, Bi{sub 1}2TiO{sub 2}0, have been detected. With the dopant a shift of the absorption spectra is produced towards higher wavelengths and consequently towards lower band gap values. The band gap values obtained for many of the prepared compositions are quite promising, promoting the study of their catalytic properties.. (Author)

Reversible Exsolution of Nanometric Fe<sub>2sub>O>3 sub> Particles in BaFe<sub>2-xsub>(PO>4sub>)>2sub> (0 ≤ x ≤ 2/3):The Logic of Vacancy Ordering in Novel Metal-Depleted Two-Dimensional Lattices

Energy Technology Data Exchange (ETDEWEB)

Alcover, Ignacio Blazquez; David, Rénald; Daviero-Minaud, Sylvie; Filimonov, Dmitry; Huvé, Marielle; Roussel, Pascal; Kabbour, Houria; Mentré, Olivier [CNRS-UMR

2015-08-12

We show here that the exsolution of Fe²⁺ ions out of two-dimensional (2D) honeycomb layers of BaFe<sub>2sub>(PO>4sub>)>2 sub>into iron-deficient BaFe<sub>2–xsub>(PO>4sub>)>2sub> phases and nanometric α-Fe<sub>2sub>O>3sub> (typically 50 nm diameter at the grain surface) is efficient and reversible until x = 2/3 in mild oxidizing/reducing conditions. It corresponds to the renewable conversion of 12 wt % of the initial mass into iron oxide. After analyzing single crystal X-ray diffraction data of intermediate members x = 2/7, x = 1/3, x = 1/2 and the ultimate Fe-depleted x = 2/3 term, we then observed a systematic full ordering between Fe ions and vacancies (V<sub>Fe>) that denote unprecedented easy in-plane metal diffusion driven by the Fe²⁺/Fe³⁺ redox. Besides the discovery of a diversity of original depleted triangular <sub>∞>{Fe^2/3+<sub>2–xsub>O>6sub>} topologies, we propose a unified model correlating the x Fe-removal and the experimental Fe/V<sub>Fe> ordering into periodic one-dimensional motifs paving the layers, gaining insights into predictive crystahemistry of complex low dimensional oxides. When we increased the x values it led to a progressive change of the materials from 2D ferromagnets (Fe2+) to 2D ferrimagnets (Fe2/3+) to antiferromagnets for x = 2/3 (Fe3+).

Electronic structure of Ti/sub 2/O/sub 3/, V/sub 2/O/sub 3/, and Cr/sub 2/O/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Bondarenko, T N; Zhurakovskii, E A; Dzeganovskii, V P [AN Ukrainskoj SSR, Kiev. Inst. Problem Materialovedeniya

1975-11-01

Electronic structure of oxides Ti/sub 2/O/sub 3/, V/sub 2/O/sub 3/, Cr/sub 2/O/sub 3/ was elucidated by means of X-ray and ESCA methods and the results were compared with the data obtained by other methods and with the available models of electronic structures. Energy diagram of V/sub 2/O/sub 3/ and common energy scale of X-ray spectra of Ti and Cr in Ti/sub 2/O/sub 3/ and Cr/sub 2/O/sub 3/ are presented. X-ray spectra show that these oxides possess the states which are related genetically to the M4p-states i.e. the X-ray data complement essentially to the result of optical and electrophysical measurements. MO and M/sub 2/O/sub 3/ compounds in the region of Fermi level have overlapping emission and absorption spectra which is specific to the matters with the metallic type of bonding. Actually TiO, VO, Ti/sub 2/O/sub 3/ and V/sub 2/O/sub 3/ have metallic type of bonding. However such overlap was observed in Cr/sub 2/O/sub 3/ as well whose forbidden zone according to photoconductivity measurments is about 3 eV. Absence of energy gap between emission and absorption spectra in Cr/sub 2/O/sub 3/ may be explained by traces of impurities which convert dielectrics conductors - impurities act as agents caus:ng filling or generation of vacancies rather than independent allowing additives. On the other hand this may be due to the defects in Cr/sub 2/O/sub 3/ lattice which may cause appearance of excited states in forbidden zone. These investigations enable to draw energy diagram of V/sub 2/O/sub 3/ and to combine the spectra of M in Ti/sub 2/O/sub 3/ into common energy scheme. Analysis of the diagram and combined spectra revealed great similarity in the electronic structures of M/sub 2/O/sub 3/ oxides (M - Ti, V, Cr) .

Microstructural and superconducting properties of high current metal-organic chemical vapor deposition YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} coated conductor wires

Energy Technology Data Exchange (ETDEWEB)

Holesinger, T G; Maiorov, B; Ugurlu, O; Civale, L [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chen, Y; Xiong, X; Xie, Y; Selvamanickam, V [SuperPower, Inc., Schenectady, NY 12304 (United States)

2009-04-15

Metal-organic chemical vapor deposition (MOCVD) on flexible, ion beam assisted deposition MgO templates has been used to produce high critical current density (J{sub c}) (Y,Sm){sub 1}Ba{sub 2}Cu{sub 3}O{sub y} (REBCO) films suitable for use in producing practical high temperature superconducting (HTS) coated conductor wires. Thick films on tape were produced with sequential additions of 0.7 {mu}m of REBCO via a reel-to-reel progression through a custom-designed MOCVD reactor. Multi-pass processing for thick film deposition is critically dependent upon minimizing surface secondary phase formation. Critical currents (I{sub c}s) of up to 600 A/cm width (t = 2.8 {mu}m, J{sub c} = 2.6 MA cm{sup -2}, 77 K, self-field) were obtained in short lengths of HTS wires. These high performance MOCVD films are characterized by closely spaced (Y,Sm){sub 2}O{sub 3} nanoparticle layers that may be tilted relative to the film normal and REBCO orientation. Small shifts in the angular dependence of J{sub c} in low and intermediate applied magnetic fields can be associated with the tilted nanoparticle layers. Also present in these films were YCuO{sub 2} nanoplates aligned with the YBCO matrix (short dimension perpendicular to the film normal), threading dislocations, and oriented composite defects (OCDs). The latter structures consist of single or multiple a-axis oriented grains coated on each side with insulating (Y,Sm){sub 2}O{sub 3} or CuO. The OCDs formed a connected network of insulating phases by the end of the fourth pass. Subsequent attempts at adding additional layers did not increase I{sub c}. There is an inconsistency between the measured J{sub c} and the observed microstructural degradation that occurs with each additional layer, suggesting that previously deposited layers are improving with each repeated reactor pass. These dynamic changes suggest a role for post-processing to optimize superconducting properties of as-deposited films, addressing issues associated with

Photocurrent increase by metal modification of Fe{sub 2}O{sub 3} photoanodes and its effect on photoelectrocatalytic hydrogen production by degradation of organic substances

Energy Technology Data Exchange (ETDEWEB)

Iervolino, Giuseppina [Department of Industrial Engineering, University of Salerno, Via Giovanni Paolo II, 132, Fisciano, Salerno, Italy, (Italy); Tantis, Iosif [Department of Chemical Engineering, University of Patras, 26500, Patras (Greece); Sygellou, Lamprini [FORTH/ICE-HT, P.O. Box 1414, 26504, Patras (Greece); Vaiano, Vincenzo, E-mail: vvaiano@unisa.it [Department of Industrial Engineering, University of Salerno, Via Giovanni Paolo II, 132, Fisciano, Salerno, Italy, (Italy); Sannino, Diana [Department of Industrial Engineering, University of Salerno, Via Giovanni Paolo II, 132, Fisciano, Salerno, Italy, (Italy); Lianos, Panagiotis, E-mail: lianos@upatras.gr [Department of Chemical Engineering, University of Patras, 26500, Patras (Greece)

2017-04-01

Highlights: • Metals-modified hematite photoanodes prepared by electrodeposition method. • Ti and Ni-modified hematite thin films showed the higher photocurrents values. • The optimal loading of modifier was found at nominal 1% for Ni and 3% for Ti. • The highest H2 production was obtained on 3%Ti-Fe2O3 in the presence of glucose. - Abstract: The present work reports the investigation of photocurrent increase by metal modification of Fe{sub 2}O{sub 3} photoanodes and its effect on photoelectrocatalytic hydrogen production using aqueous solutions containing various organic compounds. Fe{sub 2}O{sub 3} photoanodes were prepared by the electrodeposition method. The efficiency of various metal modifiers of the hematite structure (Ti, Ni, Sn, Co and Cu) has been tested by monitoring the photoelectrochemical behavior of the ensuing photoanodes. Hydrogen production was monitored in an H-shaped reactor using pure and metal-modified hematite films deposited on FTO electrodes as photocatalyst while a combination of commercial carbon paste with dispersed Pt nanoparticles was used as electrocatalyst. In all cases, hydrogen production was obtained by application of a small external electric bias (in the range 0.5- 0.7 V vs Ag/AgCl electrode). Highest photocurrent production has been achieved with a Ti-modified Fe{sub 2}O{sub 3} photoanode in the presence of glucose as sacrificial agent.

Capability of defective graphene-supported Pd{sub 13} and Ag{sub 13} particles for mercury adsorption

Energy Technology Data Exchange (ETDEWEB)

Meeprasert, Jittima; Junkaew, Anchalee; Rungnim, Chompoonut; Kunaseth, Manaschai [National Nanotechnology Center, NSTDA, 111 Thailand Science Park, Klong Luang, Pathum Thani 12120 Thailand (Thailand); Kungwan, Nawee [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Promarak, Vinich [School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology, Wangchan, Rayong 21210 (Thailand); Namuangruk, Supawadee, E-mail: supawadee@nanotec.or.th [National Nanotechnology Center, NSTDA, 111 Thailand Science Park, Klong Luang, Pathum Thani 12120 Thailand (Thailand)

2016-02-28

Graphical abstract: Defective graphene (DG) supported Ag{sub 13} and Pd{sub 13} nanoparticles acts as sorbents for elementary mercury (Hg{sup 0}) adsorption. Hg is inert to DG surface, but it moderately adsorbs on deposited Ag{sub 13}-DG and strongly adsorbs on deposited Pd{sub 13}-DG. - Highlights: • Pd{sub 13}-DG composite has highest stability. • Pd{sub 13}-DG composite is the most reactive sorbent for Hg{sup 0} adsorption. • Hg{sup 0} adsorption abilities of Pd-DG composites are relatively higher than those of Ag-DG composites. • The d-band center of deposited metal is an adsorption descriptor of composite models. - Abstract: Reactivity of single-vacancy defective graphene (DG) and DG-supported Pd{sub n} and Ag{sub n} (n = 1, 13) for mercury (Hg{sup 0}) adsorption has been studied using density functional theory calculation. The results show that Pd{sub n} binds defective site of DG much stronger than the Ag{sub n}, while metal nanocluster binds DG stronger than single metal atom. Metal clustering affects the adsorption ability of Pd composite while that of Ag is comparatively less. The binding strength of −8.49 eV was found for Pd{sub 13} binding on DG surface, indicating its high stability. Analyses of structure, energy, partial density of states, and d-band center (ε{sub d}) revealed that the adsorbed metal atom or cluster enhances the reactivity of DG toward Hg adsorption. In addition, the Hg adsorption ability of M{sub n}-DG composite is found to be related to the ε{sub d} of the deposited M{sub n}, in which the closer ε{sub d} of M{sub n} to the Fermi level correspond to the higher adsorption strength of Hg on M{sub n}-DG composite. The order of Hg adsorption strength on M{sub n}-DG composite are as follows: Pd{sub 13} (−1.68 eV) >> Ag{sub 13} (−0.67 eV) ∼ Ag{sub 1} (−0.69 eV) > Pd{sub 1} (−0.62 eV). Pd{sub 13}-DG composite is therefore more efficient sorbent for Hg{sup 0} removal in terms of high stability and high adsorption

Palladium mixed-metal surface-modified AB<sub>5sub>-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>5sub>-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>5sub>-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.

Persistent semi-metal-like nature of epitaxial perovskite CaIrO{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Biswas, Abhijit; Jeong, Yoon Hee, E-mail: yhj@postech.ac.kr [Department of Physics, POSTECH, Pohang 790-784 (Korea, Republic of)

2015-05-21

Strong spin-orbit coupled 5d transition metal based ABO{sub 3} oxides, especially iridates, allow tuning parameters in the phase diagram and may demonstrate important functionalities, for example, by means of strain effects and symmetry-breaking, because of the interplay between the Coulomb interactions and strong spin-orbit coupling. Here, we have epitaxially stabilized high quality thin films of perovskite (Pv) CaIrO{sub 3}. Film on the best lattice-matched substrate shows semi-metal-like characteristics. Intriguingly, imposing tensile or compressive strain on the film by altering the underlying lattice-mismatched substrates still maintains semi-metallicity with minute modification of the effective correlation as tensile (compressive) strain results in tiny increases (decreases) of the electronic bandwidth. In addition, magnetoresistance remains positive with a quadratic field dependence. This persistent semi-metal-like nature of Pv-CaIrO{sub 3} thin films with minute changes in the effective correlation by strain may provide new wisdom into strong spin-orbit coupled 5d based oxide physics.

Imaging of Caenorhabditis elegans samples and sub-cellular localization of new generation photosensitizers for photodynamic therapy, using non-linear microscopy

Energy Technology Data Exchange (ETDEWEB)

Filippidis, G [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, PO Box 1527, 71110 Heraklion (Greece); Kouloumentas, C [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, PO Box 1527, 71110 Heraklion (Greece); Kapsokalyvas, D [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, PO Box 1527, 71110 Heraklion (Greece); Voglis, G [Institute of Molecular Biology and Biotechnology, Foundation of Research and Technology, Heraklion 71110, Crete (Greece); Tavernarakis, N [Institute of Molecular Biology and Biotechnology, Foundation of Research and Technology, Heraklion 71110, Crete (Greece); Papazoglou, T G [Institute of Electronic Structure and Laser, Foundation of Research and Technology-Hellas, PO Box 1527, 71110 Heraklion (Greece)

2005-08-07

Two-photon excitation fluorescence (TPEF) and second-harmonic generation (SHG) are relatively new promising tools for the imaging and mapping of biological structures and processes at the microscopic level. The combination of the two image-contrast modes in a single instrument can provide unique and complementary information concerning the structure and the function of tissues and individual cells. The extended application of this novel, innovative technique by the biological community is limited due to the high price of commercial multiphoton microscopes. In this study, a compact, inexpensive and reliable setup utilizing femtosecond pulses for excitation was developed for the TPEF and SHG imaging of biological samples. Specific cell types of the nematode Caenorhabditis elegans were imaged. Detection of the endogenous structural proteins of the worm, which are responsible for observation of SHG signals, was achieved. Additionally, the binding of different photosensitizers in the HL-60 cell line was investigated, using non-linear microscopy. The sub-cellular localization of photosensitizers of a new generation, very promising for photodynamic therapy (PDT) (Hypericum perforatum L. extracts) was achieved. The sub-cellular localization of these novel photosensitizers was linked with their photodynamic action during PDT, and the possible mechanisms for cell killing have been elucidated.

Elemental characterization and source apportionment of PM{sub 10} and PM{sub 2.5} in the western coastal area of central Taiwan

Energy Technology Data Exchange (ETDEWEB)

Hsu, Chin-Yu; Chiang, Hung-Che [National Environmental Health Research Center, National Health Research Institutes, 35 Keyan Road, Zhunan Town, Miaoli 35053, Taiwan (China); Lin, Sheng-Lun [Super Micro Mass Research and Technology Center, Cheng Shiu University, No. 840, Chengcing Rd., Kaohsiung 83347, Taiwan (China); Chen, Mu-Jean; Lin, Tzu-Yu [National Environmental Health Research Center, National Health Research Institutes, 35 Keyan Road, Zhunan Town, Miaoli 35053, Taiwan (China); Chen, Yu-Cheng, E-mail: yucheng@nhri.org.tw [National Environmental Health Research Center, National Health Research Institutes, 35 Keyan Road, Zhunan Town, Miaoli 35053, Taiwan (China); Department of Occupational Safety and Health, China Medical University, 91 Hsueh-Shih Road, Taichung 40402, Taiwan (China)

2016-01-15

ABSTRACT: This study investigated seasonal variations in PM{sub 10} and PM{sub 2.5} mass and associated trace metal concentrations in a residential area in proximity to the crude oil refinery plants and industrial parks of central Taiwan. Particle measurements were conducted during winter, spring and summer in 2013 and 2014. Twenty-six trace metals in PM{sub 10} and PM{sub 2.5} were analyzed using ICP-MS. Multiple approaches of the backward trajectory model, enrichment factor (EF), Lanthanum enrichment and positive matrix fraction (PMF) were used to identify potential sources of particulate metals. Mean concentrations of PM{sub 10} in winter, spring and summer were 76.4 ± 22.6, 33.2 ± 9.9 and 37.4 ± 17.0 μg m{sup −3}, respectively, while mean levels of PM{sub 2.5} in winter, spring and summer were 47.8 ± 20.0, 23.9 ± 11.2 and 16.3 ± 8.2 μg m{sup −3}, respectively. The concentrations of carcinogenic metals (Ni, As and adjusted Cr(VI)) in PM{sub 10} and PM{sub 2.5} exceeded the guideline limits published by WHO. The result of EF analysis confirmed that Mo, Sb, Cd, Zn, Mg, Cr, As, Pb, Cu, Ni and V were attributable to anthropogenic emission. PMF analysis demonstrated that trace metals in PM{sub 10} and PM{sub 2.5} were from the similar sources, such as coal combustion, oil combustion and traffic-related emission, except for soil dust and crustal element emissions only observed in PM{sub 10} and secondary aluminum smelter only observed in PM{sub 2.5}. Considering health-related particulate metals, the traffic-related emission and coal combustion for PM{sub 10} and PM{sub 2.5}, respectively, are important to control for reducing potential carcinogenic risk. The results could aid efforts to clarify the impact of source-specific origins on human health. - Highlights: • Multiple approaches to identify sources of PM{sub 10} and PM{sub 2.5} metals were used. • Four similar sources contributed to metals in PM{sub 10} and PM{sub 2.5} in the study area. • Six

A new anion-deficient fluorite-related superstructure of Bi{sub 28}V{sub 8}O{sub 62}

Energy Technology Data Exchange (ETDEWEB)

Đorđević, T., E-mail: tamara.djordjevic@univie.ac.at [Institut für Mineralogie und Kristallographie-Geozentrum, Universität Wien, Althansstr. 14, A-1090 Wien (Austria); Karanović, Lj., E-mail: ljika2002@yahoo.com [Laboratory for Crystallography, Faculty of Mining and Geology, University of Belgrade, Đušina 7, 11000 Belgrade (Serbia)

2014-12-15

New hydrothermally synthesized Bi{sub 28}V{sub 8}O{sub 62} was structurally characterized using single-crystal X-ray diffraction data. Bi{sub 28}V{sub 8}O{sub 62} crystallizes in the novel type of defect fluorite structure related to the face-centered cubic δ-Bi{sub 2}O{sub 3}. It is monoclinic, s. g. P2{sub 1}/c, and the relation to the fluorite subcell is given as a∼(3/2)a{sub F}+(3/2)c{sub F}; b∼ −b{sub F}; c∼2a{sub F} −4c{sub F} (F in subscript indicate the unit cell parameter of fluorite). Its structure is characterized by slabs of edge sharing OBi{sub 4} tetrahedra surrounded by the OBi{sub 3} triangles. As a part of these OBi{sub 3} triangles, two positionally disordered Bi{sup 3+} cations were observed in the marginal part of the slabs. The slabs are extending along b axis and are linked by inter-slab portion of the structure composed of VO{sub 4} tetrahedra and BiO{sub 6−x} coordination polyhedra, where x is a number of vacant oxygen sites. Raman spectra verified the coordination environment of vanadium atoms in the structure. - Graphical abstract: The [4{sup ¯}01] projection of two slabs and inter-slab part of the structure in one layer parallel to the (3{sup ¯}08)=(002{sup ¯}){sub F} plane (F in subscript indicate a fluorite type structure). The large green circles are Bi atoms. Small blue circles represent partly and fully occupied O sites, respectively. Pink (hatched black) are V1O{sub 4} and blue (hatched white) are V2O{sub 4} coordination tetrahedra. - Highlights: • Single crystals of Bi{sub 28}V{sub 8}O{sub 62} were grown using hydrothermal technique. • The crystal structure of Bi{sub 28}V{sub 8}O{sub 62} was solved using single-crystal XRD method. • Bi{sub 28}V{sub 8}O{sub 62} has an anion-deficient fluorite-related superstructure. • Raman spectrum confirmed the coordination environment of vanadium atoms. • Relation to the structurally related compound was discussed.

Targeting Mitochondria to Counteract Age-Related Cellular Dysfunction

Directory of Open Access Journals (Sweden)

Corina T. Madreiter-Sokolowski

2018-03-01

Full Text Available Senescence is related to the loss of cellular homeostasis and functions, which leads to a progressive decline in physiological ability and to aging-associated diseases. Since mitochondria are essential to energy supply, cell differentiation, cell cycle control, intracellular signaling and Ca2+ sequestration, fine-tuning mitochondrial activity appropriately, is a tightrope walk during aging. For instance, the mitochondrial oxidative phosphorylation (OXPHOS ensures a supply of adenosine triphosphate (ATP, but is also the main source of potentially harmful levels of reactive oxygen species (ROS. Moreover, mitochondrial function is strongly linked to mitochondrial Ca2+ homeostasis and mitochondrial shape, which undergo various alterations during aging. Since mitochondria play such a critical role in an organism’s process of aging, they also offer promising targets for manipulation of senescent cellular functions. Accordingly, interventions delaying the onset of age-associated disorders involve the manipulation of mitochondrial function, including caloric restriction (CR or exercise, as well as drugs, such as metformin, aspirin, and polyphenols. In this review, we discuss mitochondria’s role in and impact on cellular aging and their potential to serve as a target for therapeutic interventions against age-related cellular dysfunction.

Atomic structure of Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} bulk metallic glass alloy

Energy Technology Data Exchange (ETDEWEB)

Hui, X. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)], E-mail: huixd01@hotmail.com; Fang, H.Z.; Chen, G.L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Shang, S.L.; Wang, Y. [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Qin, J.Y. [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University - Southern Campus, Jinan 250061 (China); Liu, Z.K. [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

2009-01-15

Ab initio molecular dynamics (AIMD) calculations were performed on the atomic configuration of Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} bulk metallic glass. The local structures were characterized in terms of structure factors (SF), pair correlation functions (PCF), coordinate numbers, bond pairs and Voronoi polyhedra. The glass transition temperature, generalized PCF and SF predicated by AIMD are in good agreement with the experimental data. Icosahedral short-range orders (ISRO) are found to be the most dominant, in view of the presence of the majority of bond pairs with 1551, 1541 and 1431, and Voronoi polyhedra with <0,3,6,1>, <0,2,8,1>, <0,0,12,0> and <0,2,8,4>. Icosahedral medium range orders (IMROs) are formed from icosahedra via the linkage of vertex-, edge-, face- and intercross-shared atoms. The glass structure on the nanometer scale is accumulated by polyhedra through an efficient packing mode. It is suggested that the extraordinary glass-forming ability of this alloy is essentially attributable to the formation of ISRO and IMRO, and the dense packing of atoms.

Synthesis and photoluminescent properties of Sr{sub (1−x)}Si{sub 2}O{sub 2}N{sub 2}: xEu{sup 2+} phosphor prepared by polymer metal complex method for WLEDs applications

Energy Technology Data Exchange (ETDEWEB)

Hassan, Dhia A., E-mail: dhia_hassan@yahoo.com [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Department of Chemistry, College of Education for Pure Science, University of Basrah, Basrah 61004 (Iraq); Xu, Jian; Chen, Yibin; Li, Langkai [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Zeng, Renjie, E-mail: rjzeng@xmu.edu.cn [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Fujian Key Lab of Advanced Special Materials, Xiamen University, Xiamen 361005 (China)

2016-07-15

Highlights: • SrSi{sub 2}O{sub 2}N{sub 2}: Eu{sup 2+} phosphor was prepared by polymer metal complex (pechini method). • The annealing time was decreased from 6 h in solid state method to 3 h. • The particles are crystalline and dispersed well with average size 6.5 μm. - Abstract: Green emitting Sr{sub (1−x)}Si{sub 2}O{sub 2}N{sub 2}: xEu{sup 2+} (x = 0, 0.02, 0.04, 0.06, 0.08 and 0.1) phosphors were synthesized by polymer metal complex or pechini method. The XRD results confirm the formation of a pure phase at 1400 °C for 3 h. The SEM and particles size results indicate that the prepared phosphor consists of a polyhedral crystalline shape with well dispersed and the average particle size around 6.5 μm. The maximum PL intensity was found at 0.04% Eu{sup 2+} with a wide emission band between 460 and 640 nm and a green emission peak at 531.4 nm. The external quantum efficiency of 0.04% Eu{sup 2+} sample was 43.13%. The results indicate that pechini method is an alternative way and close in efficiency to the solid state method to prepare SrSi{sub 2}O{sub 2}N{sub 2} phosphor with higher homogeneity and more uniform size distribution for near UV and blue region applications for white light emitting diodes WLEDs.

Residual Salt Separation from the Metal Products Reduced in a LiCl-Li{sub 2}O Molten Salt

Energy Technology Data Exchange (ETDEWEB)

Hur, Jin Mok; Hong, Sun Seok; Kang, Dae Seung; Jeong, Meong Soo; Seo, Chung Seok

2006-02-15

The electrochemical reduction of spent nuclear fuel in a LiCl-Li{sub 2}O molten salt for the conditioning of spent nuclear fuel requires the separation of the residual salts from a reduced metal product after the reduction process. Considering the behavior of spent nuclear fuel during the electrochemical reduction process, a surrogate material matrix was constructed and inactive tests on a salt separation were carried out to produce the data required for the active tests. Fresh uranium metal prepared from the electrochemical reduction of U{sub 3}O{sub 8} powder was used as the surrogates of the spent nuclear fuel components which might be metallized by the electrochemical reduction process. LiCl, Li{sub 2}O, Y{sub 2}O{sub 3} and SrCl{sub 2} were selected as the components of the residual salts. Interactions between the salts and their influence on the separation of the residual salts were analyzed by differential scanning calorimetry (DSC) and thermogravimetry (TG). Eutectic melting of LiCl-Li{sub 2}O and LiCl-SrCl{sub 2} led to a melting point which was lower than that of a LiCl molten salt was observed. Residual salts were separated by a vaporization method. Co-vaporization of LiCl-Li{sub 2}O and LiCl-SrCl{sub 2} was achieved below temperatures which could make the uranium metal oxidation by Li{sub 2}O possible. The salt vaporization rates at 950 .deg. C were measured as follows: LiCl-8 wt% Li{sub 2}O > LiCl > LiCl-8 wt% SrCl{sub 2} > SrCl{sub 2}.

Processing and characterisation of novel metal-reinforced Al{sub 2}O{sub 3}-composites; Herstellung und Charakterisierung neuartiger metallverstaerkter Al{sub 2}O{sub 3}-Verbundwerkstoffe

Energy Technology Data Exchange (ETDEWEB)

Guenther, R. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Werkstofforschung

1999-07-01

Using a new processing route, Al{sub 2}O{sub 3}-based ceramic composites have been prepared, that consist of 3-d networks of the ceramic and different metallic phases. The damage tolerance of these composites could be significantly improved over monolithic Al{sub 2}O{sub 3}: fracture strength and fracture toughness were increased by a factor of 4 up to 1393 MPa and 11.8 MPa {radical}(m), respectively. Similarly, resistance against abrasive wear was successfully improved by a factor of two over monolithic Al{sub 2}O{sub 3}. In combination with the good electrical and thermal conductivity, these superior mechanical properties are of great interest for automotive and biomedical industries. (orig.) [German] Mit einem neu entwickelten Verfahren werden keramische Al{sub 2}O{sub 3}-Verbundwerkstoffe hergestellt, die sich durch eine dreidimensionale Vernetzung der (inter)metallischen und der keramischen Phase auszeichnen. Die Schadenstoleranz derartiger Verbundwerkstoffe konnte im Vergleich zu monolithischer Al{sub 2}O{sub 3}-Keramik deutlich gesteigert werden: Die Bruchfestigkeit und die Bruchzaehigkeit wurden jeweils um einen Faktor 4 auf 1393 MPa bzw. 11,8 MPa {radical}(m) erhoeht, die Abriebfestigkeit um einen Faktor 2 verbessert. In Kombination mit der elektrischen und thermischen Leitfaehigkeit sind diese aussergewoehnlichen mechanischen Eigenschaften in Automobilbau und in der Medizintechnik von grossem Interesse. (orig.)

(CaFeAs){sub 10}Pt{sub z}As{sub 8} superconductors and related compounds

Energy Technology Data Exchange (ETDEWEB)

Stuerzer, Tobias

2015-04-13

The main topic of this dissertation is the identification of new compounds, structure determination, and substitution dependent investigation of properties in this new branch of the family of iron arsenide superconductors (Chapter 2). Chapter 2.1 presents the identification of the superconducting compounds and the corresponding structure elucidation identifying two dif-ferent species (CaFeAs){sub 10}Pt{sub 3}As{sub 8} and (CaFeAs){sub 10}Pt{sub 4}As{sub 8} in this family (abbreviated as 1038 and 1048 according to their stoichiometry). However, a closer look revealed a more challenging structure chemistry which is covered in Chapter 2.2. The following two Chapters 2.3 and 2.4 are devoted to (CaFeAs){sub 10}Pt{sub 3}As{sub 8} and more detailed investigations on this parent compound of the new superconductor family. Furthermore, transition metal substitution series (CaFe{sub 1-x}M{sub x}As){sub 10}Pt{sub 3}As{sub 8} were synthesized to investigate the resemblance to model systems Ba(Fe{sub 1-x}M{sub x}){sub 2}As{sub x} and LaO(Fe{sub 1-x}M{sub x})As in the scope of structural changes and superconductivity as described in Chapter 2.5. Initially amazing differences in superconducting properties com-paring 1038 and 1048 compounds are analyzed in Chapter 2.6 establishing an universal dop-ing model in the (CaFe{sub 1-x}M{sub x}As){sub 10}Pt{sub z}As{sub 8} family. Additionally substituent dependent properties upon rare earth substitution in electron doped (Ca{sub 1-y}RE{sub y}FeAs){sub 10}Pt{sub 3}As{sub 8} are investigated in Chapter 2.7, while a detailed study of superconducting properties and magnetism in (Ca{sub 1-y}La{sub y}FeAs){sub 10}Pt{sub 3}As{sub 8} by the local μSR technique is presented in Chapter 2.8. In Chapter 2.9 a comparison of direct and electron doping is discussed based on codoping experiments in (Ca{sub 1-y}La{sub y}Fe{sub 1-x}Pt{sub x}As){sub 10}Pt{sub 3}As{sub 8} and (CaFe{sub 1-x}Pt{sub x}As){sub 10}Pt{sub 4}As{sub 8}. Finally, in Chapter 2

Observation of semiconductor to metallic transition and polaron hopping in double perovskite Pr{sub 2}CoTiO{sub 6} ceramics

Energy Technology Data Exchange (ETDEWEB)

Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800005 (India); Sinha, T.P. [Department of Physics, Bose Institute, 93/1, APC Road, Kolkata 700009 (India)

2017-05-01

This paper describes semiconductor to metal transition and polaron conduction in double perovskite Pr{sub 2}CoTiO{sub 6} (PCTO) ceramics. The XRD pattern recorded at room temperature confirmed the pure phase, single crystalline structure. The semicircle arc in the impedance plot at each temperature can be attributed to the grain boundary contribution, indicating one dominating response in the measurement frequency range. The semiconductor to metallic transition was also confirmed by the variation of grain boundary resistance (R{sub gb}) with temperature. The activation energy estimated from the imaginary part of electrical modulus and impedance are found to be the characteristic of polaron conduction in PCTO. Ac conductivity followed power law dependence σ{sub ac} = Bω{sup n}. The observed variation of the exponent ‘n’ with temperature suggests the typical of charge transport assisted by a hopping process. The observed minimum in the temperature dependence of frequency exponent ‘n’ strongly suggests that the large polaron tunneling is the dominant transport process.

Chelation in metal intoxication. V. Lowering of manganese content in poisoned rat organs

Energy Technology Data Exchange (ETDEWEB)

Tandon, S K; Mathur, A K

1976-01-01

Metal chelation has been considered useful in the management of manganese poisoning to a considerable extent. Our own studies in this direction have shown that some polyaminocarboxylic acids and a few amino acids are effective in not only removing manganese from the vital organs of experimentally poisoned animals but also in restoring certain metal induced biochemical and histological changes in such organs. Further, the success of p-aminosalicylic acid (PAS), a chemotherapeutic agent for tuberculosis, in manganese mobilization has led us to examine some other structurally related compounds together with a few other possible metal binding agents for their ability to remove excess metal from the organs, their sub-cellular fractions and blood cells of manganese administered rats and to investigate if there exists any relationship between the structure of such compounds and their metal mobilizing capacity. The present communication deals with the results of these investigations.

Selective Rutherford backscattering techniques in the study of transition-metal implanted YBa{sub 2}C{sub 3}O{sub 7-{delta}}

Energy Technology Data Exchange (ETDEWEB)

Martin, J.W.; Russell, G.J. [New South Wales Univ., Kensington, NSW (Australia). School of Physics; Cohen, D.D.; Evans, P.J. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia)

1993-12-31

Using a metal-vapor vacuum arc ion source, several as-grown, large single crystal YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} were implanted with a dose of 1x10{sup 17} zinc, nickel and iron ions. After implantation the crystal was subjected to two anneal cycles that has allowed to examine crystal structure, superconducting transitions and composition, through X-ray diffraction, rutherford backscattering spectroscopy (RBS) and AC susceptibility measurements respectively. Although RBS discriminates strongly against light elements, such as oxygen, the use of resonant reaction {sup 16}O ({alpha}, {alpha}){sup 16}O at 3.4 MeV was beneficial, as its cross section is nearly 23 times that of the rutherford cross section. 4 figs.

Selective Rutherford backscattering techniques in the study of transition-metal implanted YBa{sub 2}C{sub 3}O{sub 7-{delta}}

Energy Technology Data Exchange (ETDEWEB)

Martin, J W; Russell, G J [New South Wales Univ., Kensington, NSW (Australia). School of Physics; Cohen, D D; Evans, P J [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia)

1994-12-31

Using a metal-vapor vacuum arc ion source, several as-grown, large single crystal YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} were implanted with a dose of 1x10{sup 17} zinc, nickel and iron ions. After implantation the crystal was subjected to two anneal cycles that has allowed to examine crystal structure, superconducting transitions and composition, through X-ray diffraction, rutherford backscattering spectroscopy (RBS) and AC susceptibility measurements respectively. Although RBS discriminates strongly against light elements, such as oxygen, the use of resonant reaction {sup 16}O ({alpha}, {alpha}){sup 16}O at 3.4 MeV was beneficial, as its cross section is nearly 23 times that of the rutherford cross section. 4 figs.

Transition metal-centered trigonal prisms as building units in RE{sub 14}T{sub 3}In{sub 3} (RE = Y, Ho, Er, Tm, Lu; T = Pd, Ir, Pt) and Y{sub 4}IrIn

Energy Technology Data Exchange (ETDEWEB)

Zaremba, R.; Rodewald, U.C.; Poettgen, R. [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany)

2007-12-15

The indides RE{sub 14}T{sub 3}In{sub 3} (RE = Y, Ho, Er, Tm, Lu; T = Pd, Ir, Pt) and Y{sub 4}IrIn were synthesized from the elements by are-melting and subsequent annealing for crystal growth. Their structures were characterized on the basis of X-ray powder and single crystal data: Lu{sub 14}Co{sub 3}In{sub 3}-type, space group P4{sub 2}/nmc, a = 970.2(1), c = 2340.7(5) pm for Y{sub 13.95}Pd{sub 3}In{sub 3.05}, a = 959.7(1), c = 2309.0(5) pm for Ho{sub 14}Pd{sub 2.95}In{sub 3}, a = 955.5(1), c = 2305.1(5) pm for Er{sub 14}Pd{sub 3}In{sub 3}, a = 950.9(1), c = 2291.6(5) pm for Tm{sub 13.90}Pd{sub 3}In{sub 3.10}, a = 944.4(1), c = 2275.5(5) pm for Lu{sub 13.93}Pd{sub 3}In{sub 3.07}, a = 962.9(1), c = 2343.0(5) pm for Y{sub 13.86}Ir{sub 2.97}In{sub 3.02}, a = 967.6(1), c = 2347.8(5) pm for Y{sub 13.92}Pt{sub 3.05}In{sub 2.91}, and Gd{sub 4}RhIn-type, space group F anti 43m, a = 1368.6(2) pm for Y{sub 4}IrIn. The main structural motifs are transition metal-centered trigonal prisms of the rare Earth elements which are condensed to two-dimensional networks in the RE{sub 14}T{sub 3}In{sub 3} indides and to a three-dimensional one in Y{sub 4}IrIn. The indium atoms in both structure types show segregation in the metal-rich matrix, i.e. In{sub 2} dumbbells in the RE{sub 14}T{sub 3}In{sub 3} indides (309 pm In2-In2 in Y{sub 13.86}Ir{sub 2.97}In{sub 3.02}) and In{sub 4} tetrahedra (322 pm In-In) in Y{sub 4}IrIn. The crystal chemical peculiarities of both structure types are discussed. (orig.)

Micromechanics of Amorphous Metal/Polymer Hybrid Structures with 3D Cellular Architectures: Size Effects, Buckling Behavior, and Energy Absorption Capability.

Science.gov (United States)

Mieszala, Maxime; Hasegawa, Madoka; Guillonneau, Gaylord; Bauer, Jens; Raghavan, Rejin; Frantz, Cédric; Kraft, Oliver; Mischler, Stefano; Michler, Johann; Philippe, Laetitia

2017-02-01

By designing advantageous cellular geometries and combining the material size effects at the nanometer scale, lightweight hybrid microarchitectured materials with tailored structural properties are achieved. Prior studies reported the mechanical properties of high strength cellular ceramic composites, obtained by atomic layer deposition. However, few studies have examined the properties of similar structures with metal coatings. To determine the mechanical performance of polymer cellular structures reinforced with a metal coating, 3D laser lithography and electroless deposition of an amorphous layer of nickel-boron (NiB) is used for the first time to produce metal/polymer hybrid structures. In this work, the mechanical response of microarchitectured structures is investigated with an emphasis on the effects of the architecture and the amorphous NiB thickness on their deformation mechanisms and energy absorption capability. Microcompression experiments show an enhancement of the mechanical properties with the NiB thickness, suggesting that the deformation mechanism and the buckling behavior are controlled by the brittle-to-ductile transition in the NiB layer. In addition, the energy absorption properties demonstrate the possibility of tuning the energy absorption efficiency with adequate designs. These findings suggest that microarchitectured metal/polymer hybrid structures are effective in producing materials with unique property combinations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modification of MWCNT@TiO{sub 2} core–shell nanocomposites with transition metal oxide dopants for photoreduction of carbon dioxide into methane

Energy Technology Data Exchange (ETDEWEB)

Gui, Meei Mei [Low Carbon Economy (LCE) Group, Chemical Engineering Discipline, School of Engineering, Monash University, Jalan Lagoon Selatan, 46150 Bandar Sunway, Selangor (Malaysia); Chai, Siang-Piao, E-mail: chai.siang.piao@monash.edu [Low Carbon Economy (LCE) Group, Chemical Engineering Discipline, School of Engineering, Monash University, Jalan Lagoon Selatan, 46150 Bandar Sunway, Selangor (Malaysia); Mohamed, Abdul Rahman [Low Carbon Economy (LCE) Group, School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, Seri Ampangan, 14300 Nibong Tebal, Pulau Pinang (Malaysia)

2014-11-15

Graphical abstract: - Highlights: • Metal oxide-doped MWCNT@TiO{sub 2} core–shell nanocomposites were prepared. • Red-shift of absorption band positions was observed in CuO- and Fe{sub 2}O{sub 3}-MWCNT@TiO{sub 2}. • Total methane formation of 0.93 μmol/g-catalyst was achieved using CuO-MWCNT@TiO{sub 2}. - Abstract: Titanium dioxide (TiO{sub 2}) doped with visible-light-responsive metal oxides has been widely reported for improving the visible light absorption performance of TiO{sub 2} and its photocatalytic activity. The metal oxides could function as ‘charge-carrier traps’ that transport electrons from TiO{sub 2} through the heterojunction of the TiO{sub 2}-metal oxides. In this work, the common transition metal oxides, i.e. FeO{sub x}, CuO{sub x}, NiO, CoO{sub x} and ZnO, were doped onto MWCNT@TiO{sub 2} core–shell nanocomposites. The effects of the metal oxide dopants on the photoactivity of the core–shell nanocomposites on CO{sub 2} reduction were studied. Characterization with diffuse-reflectance UV–vis showed significant improvement on visible light absorption after doping MWCNT@TiO{sub 2} with CuO{sub x}, FeO{sub x} and CoO{sub x} with the adsorption band-edge position red-shifted into the wavelength range of 480–630 nm. CuO-MWCNT@TiO{sub 2} appeared to be the most active one among all the studied photocatalysts, achieving a total methane formation of 0.93 μmol/g-catalyst.

Metal contamination in benthic macroinvertebrates in a sub-basin in the southeast of Brazil

Directory of Open Access Journals (Sweden)

WAC Chiba

Full Text Available Benthic macroinvertebrates have many useful properties that make possible the use of these organisms as sentinel in biomonitoring programmes in freshwater. Combined with the characteristics of the water and sediment, benthic macroinvertebrates are potential indicators of environmental quality. Thus, the spatial occurrence of potentially toxic metals (Al, Zn, Cr, Co, Cu, Fe, Mn and Ni in the water, sediment and benthic macroinvertebrates samples were investigated in a sub-basin in the southeast of Brazil in the city of São Carlos, São Paulo state, with the aim of verifying the metals and environment interaction with benthic communities regarding bioaccumulation. Hypothetically, there can be contamination by metals in the aquatic environment in the city due to lack of industrial effluent treatment. All samples were analysed by the USEPA adapted method and processed in an atomic absorption spectrophotometer. The sub-basin studied is contaminated by toxic metals in superficial water, sediment and benthic macroinvertebrates. The Bioaccumulation Factor showed a tendency for metal bioaccumulation by the benthic organisms for almost all the metal species. The results show a potential human and ecosystem health risk, contributing to metal contamination studies in aquatic environments in urban areas.

Sub-cellular localisation of a 15N-labelled peptide vector using NanoSIMS imaging

Science.gov (United States)

Römer, Winfried; Wu, Ting-Di; Duchambon, Patricia; Amessou, Mohamed; Carrez, Danièle; Johannes, Ludger; Guerquin-Kern, Jean-Luc

2006-07-01

Dynamic SIMS imaging is proposed to map sub-cellular distributions of isotopically labelled, exogenous compounds. NanoSIMS imaging allows the characterisation of the intracellular transport pathways of exogenous molecules, including peptide vectors employed in innovative therapies, using stable isotopes as molecular markers to detect the compound of interest. Shiga toxin B-subunit (STxB) was chosen as a representative peptide vector. The recombinant protein ( 15N-STxB) was synthesised in Escherichia coli using 15NH 4Cl as sole nitrogen source resulting in 15N enrichment in the molecule. Using the NanoSIMS 50 ion microprobe (Cameca), different ion species ( 12C 14N -, 12C 15N -, 31P -) originating from the same sputtered micro volume were simultaneously detected. High mass resolving power enabled the discrimination of 12C 15N - from its polyatomic isobars of mass 27. We imaged the membrane binding and internalisation of 15N-STxB in HeLa cells at spatial resolutions of less than 100 nm. Thus, the use of rare stable isotopes like 15N with dynamic SIMS imaging permits sub-cellular detection of isotopically labelled, exogenous molecules and imaging of their transport pathways at high mass and spatial resolution. Application of stable isotopes as markers can replace the large and chemically complex tags used for fluorescence microscopy, without altering the chemical and physical properties of the molecule.

Mixed valent perovskites Ba/sub 3/B/sup 3 +/Ru/sub 2/sup(4. 5+)O/sub 9/. Catalytic activity of perovskite oxides with noble metals

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S; Ehmann, A; Schaller, H U; Duerrschmidt, E; Thumm, I; Bader, H [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-10-01

The black compounds Ba/sub 3/B/sup 3 +/Ru/sub 2/O/sub 9/ crystallize with B/sup 3 +/ = La, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Yb, and Y in a hexagonal BaTiO/sub 3/ structure (6L, sequence (hcc)/sub 2/) with an ordered distribution (1:2 order) of B/sup 3 +/ and ruthenium (BO/sub 6/ single octahedra; Ru/sub 2/O/sub 9/ double groups). The mean oxidation state of ruthenium is about +4.5. The properties are compared with those of other isotypic stacking polytypes Ba/sub 3/B/sup 3 +/M/sub 2/sup(4.5)O/sub 9/ (M/sub 2/ = IrRu, Ir/sub 2/, PtRu) and Ba/sub 3/B/sup 2 +/M/sub 2//sup 5 +/O/sub 9/ (M = Ru, Ir). The results of activity tests concerning the efficiency of perovskite oxides with noble metals in respect of the oxidation of CO or CHsub(x) and the reduction of NOsub(x) are reported.

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.

Synthesis of mixed-valent {alpha}- and {beta}-NaFe{sub 2}O{sub 3} polymorphs under controlled partial oxygen pressure

Energy Technology Data Exchange (ETDEWEB)

Bruno, Shaun R.; Blakely, Colin K. [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Poltavets, Viktor V., E-mail: poltavets@chemistry.msu.edu [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States)

2012-08-15

Synthesis of mixed valent compounds, especially when multiple polymorphs exist, requires careful control of the preparation conditions. {alpha}- and {beta}-NaFe{sub 2}O{sub 3} polymorphs were synthesized under controlled partial oxygen pressure (pO{sub 2}). pO{sub 2} regions of stability at 850 Degree-Sign C were determined for both phases for the first time. A modified oxygen buffer method was developed for the facile preparation of mixed valent oxides under controlled pO{sub 2}. {beta}-NaFe{sub 2}O{sub 3} is the only known n=2 member of the AM{sub n}O{sub n+1} (A=alkali metal, M=3d metal) rock-salt related homolog series with layered cation ordering. The possibility of new members of the homolog series with other 3d metals is considered. - Graphical abstract: Schematic section of phase composition vs. partial O{sub 2} pressure diagram at 850 Degree-Sign C for Na/Fe=1/2 and structure models of {alpha}- and {beta}-NaFe{sub 2}O{sub 3}. Highlights: Black-Right-Pointing-Pointer {alpha}- and {beta}-NaFe{sub 2}O{sub 3} polymorphs were synthesized under controlled oxygen pressure. Black-Right-Pointing-Pointer {beta}-NaFe{sub 2}O{sub 3} has rock-salt related structure with layered cation ordering. Black-Right-Pointing-Pointer Existence of the rock-salt related homolog series AM{sub n}O{sub n+1} is discussed.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-11-15

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

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.)

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-08-15

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

Visible light active TiO{sub 2} films prepared by electron beam deposition of noble metals

Energy Technology Data Exchange (ETDEWEB)

Hou Xinggang, E-mail: hou226@163.co [Department of Physics, Tianjin Normal University, Tianjin 300387 (China); Ma Jun [Department of Physics, Tianjin Normal University, Tianjin 300387 (China); Liu Andong [Key Laboratory of Beam Technology and Material Modification of Ministry of Education, Beijing Normal University, Beijing 100875 (China); Li Dejun; Huang Meidong; Deng Xiangyun [Department of Physics, Tianjin Normal University, Tianjin 300387 (China)

2010-03-15

TiO{sub 2} films prepared by sol-gel method were modified by electron beam deposition of noble metals (Pt, Pd, and Ag). Effects of noble metals on the chemical and surface characteristics of the films were studied using XPS, TEM and UV-Vis spectroscopy techniques. Photocatalytic activity of modified TiO{sub 2} films was evaluated by studying the degradation of methyl orange dye solution under visible light UV irradiation. The result of TEM reveals that most of the surface area of TiO{sub 2} is covered by tiny particles of noble metals with diameter less than 1 nm. Broad red shift of UV-Visible absorption band of modified photocatalysts was observed. The catalytic degradation of methyl orange in aqueous solutions under visible light illumination demonstrates a significant enhancement of photocatalytic activity of these films compared with the un-loaded films. The photocatalytic efficiency of modified TiO{sub 2} films by this method is affected by the concentration of impregnating solution.

Short-term acute hypercapnia affects cellular responses to trace metals in the hard clams Mercenaria mercenaria.

Science.gov (United States)

Ivanina, Anna V; Beniash, Elia; Etzkorn, Markus; Meyers, Tiffany B; Ringwood, Amy H; Sokolova, Inna M

2013-09-15

Estuarine and coastal habitats experience large fluctuations of environmental factors such as temperature, salinity, partial pressure of CO2 ( [Formula: see text] ) and pH; they also serve as the natural sinks for trace metals. Benthic filter-feeding organisms such as bivalves are exposed to the elevated concentrations of metals in estuarine water and sediments that can strongly affect their physiology. The effects of metals on estuarine organisms may be exacerbated by other environmental factors. Thus, a decrease in pH caused by high [Formula: see text] (hypercapnia) can modulate the effects of trace metals by affecting metal bioavailability, accumulation or binding. To better understand the cellular mechanisms of interactions between [Formula: see text] and trace metals in marine bivalves, we exposed isolated mantle cells of the hard clams (Mercenaria mercenaria) to different levels of [Formula: see text] (0.05, 1.52 and 3.01 kPa) and two major trace metal pollutants - cadmium (Cd) and copper (Cu). Elevated [Formula: see text] resulted in a decrease in intracellular pH (pHi) of the isolated mantle cells from 7.8 to 7.4. Elevated [Formula: see text] significantly but differently affected the trace metal accumulation by the cells. Cd uptake was suppressed at elevated [Formula: see text] levels while Cu accumulation has greatly accelerated under hypercapnic conditions. Interestingly, at higher extracellular Cd levels, labile intracellular Cd(2+) concentration remained the same, while intracellular levels of free Zn(2+) increased suggesting that Cd(2+) substitutes bound Zn(2+) in these cells. In contrast, Cu exposure did not affect intracellular Zn(2+) but led to a profound increase in the intracellular levels of labile Cu(2+) and Fe(2+). An increase in the extracellular concentrations of Cd and Cu led to the elevated production of reactive oxygen species under the normocapnic conditions (0.05 kPa [Formula: see text] ); surprisingly, this effect was mitigated in

A guidance manual for estimating greenhouse gas emissions from fuel combustion and process-related sources for primary base metals smelting and refining

Energy Technology Data Exchange (ETDEWEB)

NONE

2004-03-01

This technical guidance manual is a useful resource for helping the metals industry compile inventories of its greenhouse gas (GHG) emissions. The guidance is consistent with Canada's national GHG accounting methodologies. It provides information to smelters and refiners of base metals on how to estimate their GHG emissions from fuel combustion and specific process-related activities. The base metals group in this manual included copper, nickel, lead, zinc, and cobalt. Fuel combustion includes all stationary combustion activities for generating heat or work, and includes waste incineration if the waste heat is used for energy. It also includes mobile fuel combustion activities such as on-site transportation of raw materials from one process to another. Guidance is provided for carbon dioxide (CO{sub 2}), methane (CH{sub 4}) and nitrous oxide (N{sub 2}O). Process-related activities include specific industrial processes that contribute to GHG emissions. For base metal smelting, this includes CO{sub 2} emissions from use of carbonate reagents, use of reducing agents, electrode consumption, and hydrofluorocarbons (HFC) emissions from use in refrigeration systems. This document also included sections on quality assurance; aspects of uncertainty assessment; verification; and, reporting of emissions information. refs., tabs., figs.

Preparation of SrIrO{sub 3} thin films by using metal-organic aerosol deposition technique

Energy Technology Data Exchange (ETDEWEB)

Esser, Sebastian; Schneider, Melanie; Moshnyaga, Vasily; Gegenwart, Philipp [1. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany)

2013-07-01

The interplay between spin-orbit coupling and electronic correlations could lead to interesting novel states in iridium oxide materials. We focus on the perovskite phase of SrIrO{sub 3} because Moon et al. [1] showed by using optical spectroscopy and first-principles calculations that the last member of the Ruddlesden-Popper series Sr{sub n+1}Ir{sub n}O{sub 3n+1} (n = ∞) is close to the Mott transition. By using metal-organic aerosol deposition technique we have grown SrIrO{sub 3} thin films on (111)-oriented SrTiO{sub 3} substrates. The cubic symmetry of the SrTiO{sub 3} substrate ensured that the SrIrO{sub 3} thin film grew in the monoclinic perovskite phase. The X-ray diffraction results suggest that SrIrO{sub 3} thin films in perovskite structure were obtained and these show out of plane epitaxy with monoclinic (002){sub m}-orientation. The temperature dependence of the electrical resistivity of these SrIrO{sub 3} thin films were investigated and metallic behavior was observed down to 50 K.

Visualizing Escherichia coli sub-cellular structure using sparse deconvolution Spatial Light Interference Tomography.

Directory of Open Access Journals (Sweden)

Mustafa Mir

Full Text Available Studying the 3D sub-cellular structure of living cells is essential to our understanding of biological function. However, tomographic imaging of live cells is challenging mainly because they are transparent, i.e., weakly scattering structures. Therefore, this type of imaging has been implemented largely using fluorescence techniques. While confocal fluorescence imaging is a common approach to achieve sectioning, it requires fluorescence probes that are often harmful to the living specimen. On the other hand, by using the intrinsic contrast of the structures it is possible to study living cells in a non-invasive manner. One method that provides high-resolution quantitative information about nanoscale structures is a broadband interferometric technique known as Spatial Light Interference Microscopy (SLIM. In addition to rendering quantitative phase information, when combined with a high numerical aperture objective, SLIM also provides excellent depth sectioning capabilities. However, like in all linear optical systems, SLIM's resolution is limited by diffraction. Here we present a novel 3D field deconvolution algorithm that exploits the sparsity of phase images and renders images with resolution beyond the diffraction limit. We employ this label-free method, called deconvolution Spatial Light Interference Tomography (dSLIT, to visualize coiled sub-cellular structures in E. coli cells which are most likely the cytoskeletal MreB protein and the division site regulating MinCDE proteins. Previously these structures have only been observed using specialized strains and plasmids and fluorescence techniques. Our results indicate that dSLIT can be employed to study such structures in a practical and non-invasive manner.

Ab initio study of domain structures in half-metallic CoTi{sub 1−x}Mn{sub x}Sb and thermoelectric CoTi{sub 1−x}Sc{sub x}Sb half-Heusler alloys

Energy Technology Data Exchange (ETDEWEB)

Miranda Mena, Joaquin, E-mail: joaquin.miranda@uni-bayreuth.de; Schoberth, Heiko G.; Gruhn, Thomas; Emmerich, Heike

2015-11-25

We present first-principles calculations of the electronic density of state, the structures in CoTi{sub 1−x}Sc{sub x}Sb and CoTi{sub 1−x}Mn{sub x}Sb. In addition for the latter we calculate magnetic moments. Systems with different stoichiometries are compared and low energy configurations are determined using a cluster expansion procedure. For all studied manganese concentrations, x > 0, CoTi{sub 1−x}Mn{sub x}Sb is half-metallic and magnetic, which make it interesting for spintronic applications. In contrast, with increasing scandium concentration, the band gap of CoTi{sub x}Sc{sub 1-x}Sb closes continuously, while the material changes from a semiconductor to a non-magnetic metal. For low Sc doping this material is well suited for thermoelectric applications. The electronic states close to the Fermi energy are strongly influenced by the distribution of Ti and Mn (or Ti and Sc). This has important consequences for the usage of materials in application fields like spintronics and thermoelectrics. In general, a phase separation of the alloys into a Ti rich and a Ti poor phase is energetically favored. Using mean field theory we create a phase diagram that shows the coexistence and the spinodal region. A spontaneous demixing can be used for the creation of nanodomains within the material. In the case of CoTi{sub 1−x}Sc{sub x}Sb, the resulting reduced lattice thermal conductivity is beneficial for thermoelectric applications, while in CoTi{sub 1−x}Mn{sub x}Sb the nanodomains are detrimental for polarization.

Recovery of UO[sub 2]/PuO[sub 2] in IFR electrorefining process

Science.gov (United States)

Tomczuk, Z.; Miller, W.E.

1994-10-18

A process is described for converting PuO[sub 2] and UO[sub 2] present in an electrorefiner to the chlorides, by contacting the PuO[sub 2] and UO[sub 2] with Li metal in the presence of an alkali metal chloride salt substantially free of rare earth and actinide chlorides for a time and at a temperature sufficient to convert the UO[sub 2] and PuO[sub 2] to metals while converting Li metal to Li[sub 2]O. Li[sub 2]O is removed either by reducing with rare earth metals or by providing an oxygen electrode for transporting O[sub 2] out of the electrorefiner and a cathode, and thereafter applying an emf to the electrorefiner electrodes sufficient to cause the Li[sub 2]O to disassociate to O[sub 2] and Li metal but insufficient to decompose the alkali metal chloride salt. The U and Pu and excess lithium are then converted to chlorides by reaction with CdCl[sub 2].

Comparison of modification strategies towards enhanced charge carrier separation and photocatalytic degradation activity of metal oxide semiconductors (TiO{sub 2}, WO{sub 3} and ZnO)

Energy Technology Data Exchange (ETDEWEB)

Kumar, S. Girish [Department of Physics, Indian Institute of Science, Bengaluru, 560012 Karnataka (India); Department of Chemistry, School of Engineering and Technology, CMR University, Bengaluru, 562149, Karnataka (India); Rao, K.S.R. Koteswara, E-mail: raoksrk@gmail.com [Department of Physics, Indian Institute of Science, Bengaluru, 560012 Karnataka (India)

2017-01-01

Graphical abstract: Semiconductor metal oxides: Modifications, charge carrier dynamics and photocatalysis. - Highlights: • TiO{sub 2}, WO{sub 3} and ZnO based photocatalysis is reviewed. • Advances to improve the efficiency are emphasized. • Differences and similarities in the modifications are highlighted. • Charge carrier dynamics for each strategy are discussed. - Abstract: Metal oxide semiconductors (TiO{sub 2}, WO{sub 3} and ZnO) finds unparalleled opportunity in wastewater purification under UV/visible light, largely encouraged by their divergent admirable features like stability, non-toxicity, ease of preparation, suitable band edge positions and facile generation of active oxygen species in the aqueous medium. However, the perennial failings of these photocatalysts emanates from the stumbling blocks like rapid charge carrier recombination and meager visible light response. In this review, tailoring the surface-bulk electronic structure through the calibrated and veritable approaches such as impurity doping, deposition with noble metals, sensitizing with other compounds (dyes, polymers, inorganic complexes and simple chelating ligands), hydrogenation process (annealing under hydrogen atmosphere), electronic integration with other semiconductors, modifying with carbon nanostructures, designing with exposed facets and tailoring with hierarchical morphologies to overcome their critical drawbacks are summarized. Taking into account the materials intrinsic properties, the pros and cons together with similarities and striking differences for each strategy in specific to TiO{sub 2}, WO{sub 3} & ZnO are highlighted. These subtlety enunciates the primacy for improving the structure-electronic properties of metal oxides and credence to its fore in the practical applications. Future research must focus on comparing the performances of ZnO, TiO{sub 2} and WO{sub 3} in parallel to get insight into their photocatalytic behaviors. Such comparisons not only reveal

Two-Photon Irradiation of an Intracellular Singlet Oxygen Photosensitizer: Achieving Localized Sub-Cellular Excitation in Spatially-Resolved Experiments

DEFF Research Database (Denmark)

Pedersen, Brian Wett; Breitenbach, Thomas; Redmond, Robert W.

2010-01-01

The response of a given cell to spatially-resolved sub-cellular irradiation of a singlet oxygen photosensitizer (protoporphyrin IX, PpIX) using a focused laser was assessed. In these experiments, incident light was scattered over a volume greater than that defi ned by the dimensions of the laser...

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-03-15

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

Pathologic Cellular Events in Smoking-Related Pancreatitis

Energy Technology Data Exchange (ETDEWEB)

Thrower, Edwin [Department of Internal Medicine, Section of Digestive Diseases, Yale University School of Medicine, New Haven, CT 06520 (United States); Veterans Affairs Connecticut Healthcare, West Haven, CT 06516 (United States)

2015-04-29

Pancreatitis, a debilitating inflammatory disorder, results from pancreatic injury. Alcohol abuse is the foremost cause, although cigarette smoking has recently surfaced as a distinct risk factor. The mechanisms by which cigarette smoke and its toxins initiate pathological cellular events leading to pancreatitis, have not been clearly defined. Although cigarette smoke is composed of more than 4000 compounds, it is mainly nicotine and the tobacco-specific nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), which have been extensively studied with respect to pancreatic diseases. This review summarizes these research findings and highlights cellular pathways which may be of relevance in initiation and progression of smoking-related pancreatitis.

Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO{sub 2} interfaces

Energy Technology Data Exchange (ETDEWEB)

Huang, Jianqiu, E-mail: jianqiu@vt.edu [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Tea, Eric; Li, Guanchen [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Hin, Celine [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Department of Material Science and Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road-MC 0238, Blacksburg, VA 24061 (United States)

2017-06-01

Highlights: • Hydrogen release process at the Al/SiO{sub 2} metal-oxide interface has been investigated. • A mathematical model that estimates the hydrogen release potential has been proposed. • Al atoms, Al−O bonds, and Si−Al bonds are the major hydrogen traps at the Al/SiO{sub 2} interface. • Hydrogen atoms are primarily release from Al−H and O−H bonds at the Al/SiO{sub 2} metal-oxide interface. - Abstract: The Anode Hydrogen Release (AHR) mechanism at interfaces is responsible for the generation of defects, that traps charge carriers and can induce dielectric breakdown in Metal-Oxide-Semiconductor Field Effect Transistors. The AHR has been extensively studied at Si/SiO{sub 2} interfaces but its characteristics at metal-silica interfaces remain unclear. In this study, we performed Density Functional Theory (DFT) calculations to study the hydrogen release mechanism at the typical Al/SiO{sub 2} metal-oxide interface. We found that interstitial hydrogen atoms can break interfacial Al−Si bonds, passivating a Si sp{sup 3} orbital. Interstitial hydrogen atoms can also break interfacial Al−O bonds, or be adsorbed at the interface on aluminum, forming stable Al−H−Al bridges. We showed that hydrogenated O−H, Si−H and Al−H bonds at the Al/SiO{sub 2} interfaces are polarized. The resulting bond dipole weakens the O−H and Si−H bonds, but strengthens the Al−H bond under the application of a positive bias at the metal gate. Our calculations indicate that Al−H bonds and O−H bonds are more important than Si−H bonds for the hydrogen release process.

Physicochemical properties of metal-doped activated carbons and relationship with their performance in the removal of SO{sub 2} and NO

Energy Technology Data Exchange (ETDEWEB)

Gao Xiang, E-mail: xgao1@zju.edu.cn [State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou 310027 (China); Liu Shaojun; Zhang Yang; Luo Zhongyang; Cen Kefa [State Key Laboratory of Clean Energy Utilization, Zhejiang University, 38 Zheda Road, Hangzhou 310027 (China)

2011-04-15

Research highlights: {yields} Cu and Fe were partly reduced by carbon during preparation. {yields} Metal-involved SO{sub 2} removal pathways were catalytic oxidation, reaction and adsorption. {yields} Good performances of SO{sub 2} and NO removal depended on the metal redox pairs. - Abstract: Several metal-doped activated carbons (Fe, Co, Ni, V, Mn, Cu and Ce) were prepared and characterized. The results of N{sub 2} adsorption-desorption, X-ray diffraction, and X-ray photoelectron spectroscopy indicated that some metals (Cu and Fe) were partly reduced by carbon during preparation. Activity tests for the removal of SO{sub 2} and the selective catalytic reduction of NO with ammonia were carried out. Due to different physicochemical properties, different pathways for the SO{sub 2} removal had been put out, i.e., catalytic oxidation, direct reaction and adsorption. This classification depended on the standard reduction potentials of metal redox pairs. Samples impregnated with V, Ce and Cu showed good activity for NO reduction by NH{sub 3}, which was also ascribed to the reduction potential values of metal redox pairs. Ce seemed to be a promising alternative to V due to the higher activity in NO reduction and the nontoxic property. A metal cation which could easily convert between the two valences seemed to be crucial to the good performance of both SO{sub 2} and NO removal, just like V and Cu.

Acute effects of heavy metals on the expression of glutathione-related antioxidant genes in the marine ciliate Euplotes crassus

International Nuclear Information System (INIS)

Kim, Se-Hun; Kim, Se-Joo; Lee, Jae-Seong; Lee, Young-Mi

2014-01-01

Highlights: • Significant higher increases in the relative ROS and total GSH levels were observed after exposure to heavy metals. • Real-time PCR data showed expression levels of GPx and GR mRNA were sensitively modulated within 8 h of exposure to heavy metals. • E. crassus GPx and GR genes may be involved in cellular defense mechanisms against heavy metal-induced oxidative stress. • E. crassus GPx and GR genes will be useful as potential molecular markers for monitoring heavy metal contamination. - Abstract: Euplotes crassus, a single-celled eukaryote, is directly affected by environmental contaminants. Here, exponentially cultured E. crassus were exposed to cadmium, copper, lead, and zinc and then the reactive oxygen species (ROS) and total glutathione (GSH) levels were measured. Subsequently, the transcriptional modulation of glutathione peroxidase (GPx) and glutathione reductase (GR) were estimated by quantitative RT-PCR. After an 8-h exposure, significantly higher increases in the relative ROS and total GSH levels were observed in exposed group, compared to the controls. Real-time PCR data revealed that the expression levels of GPx and GR mRNA were sensitively modulated within 8 h of exposure to all heavy metals. These findings suggest that these genes may be involved in cellular defense mechanisms by modulating their gene expression against heavy metal-induced oxidative stress. Thus, they may be useful as potential molecular biomarkers to assess sediment environments for contaminants

Variation in band gap of lanthanum chromate by transition metals doping LaCr{sub 0.9}A{sub 0.1}O{sub 3} (A:Fe/Co/Ni)

Energy Technology Data Exchange (ETDEWEB)

Naseem, Swaleha, E-mail: wasiamu@gmail.com; Khan, Wasi, E-mail: wasiamu@gmail.com; Saad, A. A., E-mail: wasiamu@gmail.com; Shoeb, M., E-mail: wasiamu@gmail.com; Ahmed, Hilal, E-mail: wasiamu@gmail.com; Naqvi, A. H. [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z.H. College of Engg. and Technology, Aligarh Muslim University, Aligarh-202002 (India); Husain, Shahid [Department of Physics, Aligarh Muslim University, Aligarh-202002 (India)

2014-04-24

Transition metal (Fe, Co, Ni) doped lanthanum chromate (LaCrO{sub 3}) nanoparticles (NPs) were prepared by gel combustion method and calcinated at 800°C. Microstructural studies were carried by XRD and SEM/EDS techniques. The results of structural characterization show the formation of all samples in single phase without any impurity. Optical properties were studied by UV- visible and photoluminescence techniques. The energy band gap was calculated and the variation was observed with the doping of transition metal ions. Photoluminescence spectra show the emission peak maxima for the pure LaCrO{sub 3} at about 315 nm. Influence of Fe, Co, Ni doping was studied and compared with pure lanthanum chromate nanoparticles.

Various cellular stress components change as the rat ages: An insight into the putative overall age-related cellular stress network.

Science.gov (United States)

Cueno, Marni E; Imai, Kenichi

2018-02-01

Cellular stress is mainly comprised of oxidative, nitrosative, and endoplasmic reticulum stresses and has long been correlated to the ageing process. Surprisingly, the age-related difference among the various components in each independent stress pathway and the possible significance of these components in relation to the overall cellular stress network remain to be clearly elucidated. In this study, we obtained blood from ageing rats upon reaching 20-, 40-, and 72-wk.-old. Subsequently, we measured representative cellular stress-linked biomolecules (H 2 O 2 , glutathione reductase, heme, NADPH, NADP, nitric oxide, GADD153) and cell signals [substance P (SP), free fatty acid, calcium, NF-κB] in either or both blood serum and cytosol. Subsequently, network analysis of the overall cellular stress network was performed. Our results show that there are changes affecting stress-linked biomolecules and cell signals as the rat ages. Additionally, based on our network analysis data, we postulate that NADPH, H 2 O 2 , GADD153, and SP are the key components and the interactions between these components are central to the overall age-related cellular stress network in the rat blood. Thus, we propose that the main pathway affecting the overall age-related cellular stress network in the rat blood would entail NADPH-related oxidative stress (involving H 2 O 2 ) triggering GADD153 activation leading to SP induction which in-turn affects other cell signals. Copyright © 2017 Elsevier Inc. All rights reserved.

Improved conductivity of infinite-layer LaNiO{sub 2} thin films by metal organic decomposition

Energy Technology Data Exchange (ETDEWEB)

Ikeda, Ai [Department of Applied Physics, Tokyo University of Agriculture and Technology, Naka-cho 2-24-16, Koganei, Tokyo 184-8588 (Japan); Research Fellow of the Japan Society for the Promotion of Science (Japan); Manabe, Takaaki [National Institute of Advanced Industrial Science and Technology (AIST), Higashi 1-1-1, Tsukuba, Ibaraki 305-8565 (Japan); Naito, Michio, E-mail: minaito@cc.tuat.ac.jp [Department of Applied Physics, Tokyo University of Agriculture and Technology, Naka-cho 2-24-16, Koganei, Tokyo 184-8588 (Japan)

2013-12-15

Highlights: •LaNiO{sub 2} films were synthesized by metal organic decomposition and topotactic reduction. •Room-temperature resistivity as low as 0.6 mΩ cm was achieved for infinite-layer LaNiO{sub 2}. •Lattice matched substrates are important in obtaining high conductivity. -- Abstract: Infinite-layer LaNiO{sub 2} thin films were synthesized by metal organic decomposition and subsequent topotactic reduction in hydrogen, and their transport properties were investigated. LaNiO{sub 2} is isostructural to SrCuO{sub 2}, the parent compound of high-T{sub c} Sr{sub 0.9}La{sub 0.1}CuO{sub 2} with T{sub c} = 44 K, and has 3d{sup 9} configuration, which is very rare in oxides but common to high-T{sub c} copper oxides. The bulk synthesis of LaNiO{sub 2} is not easy, but we demonstrate in this article that the thin-film synthesis of LaNiO{sub 2} is rather easy, thanks to a large-surface-to-volume ratio, which makes oxygen diffusion prompt. Our refined synthesis conditions produced highly conducting films of LaNiO{sub 2}. The resistivity of the best film is as low as 640 μΩ cm at 295 K and decreases with temperature down to 230 K but it shows a gradual upturn at lower temperatures.

Ni/CeO{sub 2}-Al{sub 2}O{sub 3} catalysts promoted with noble metals for the hydrogen production by ethanol vapor reforming; Catalisadores de Ni/CeO{sub 2}-Al{sub 2}O{sub 3} promovidos com metais nobres para a producao de hidrogenio por reforma a vapor de etanol

Energy Technology Data Exchange (ETDEWEB)

Profeti, Luciene P.R.; Ticianelli, Edson Antonio; Assaf, Elisabete Moreira [Universidade de Sao Paulo (IQSC/USP), Sao Carlos, SP (Brazil). Inst. de Quimica]. E-mail: eassaf@iqsc.usp.br

2008-07-01

The catalytic activity of Ni/CeO{sub 2}-Al{sub 2}O{sub 3} catalysts modified with noble metals (Ru, Ir, Pt and Pd) was investigated in the steam reforming of ethanol. The catalysts were characterized by energy dispersive spectroscopy, X-ray diffraction, UV-Vis diffuse reflectance spectroscopy and H{sub 2} temperature-programmed reduction-X-ray absorption fine structure (XANES). The results showed that the formation of inactive nickel aluminate was avoided due to the presence of a CeO{sub 2} dispersed on the alumina. The promoting effect of noble metals included a decrease of the reduction temperatures of NiO species interacting with the support due to the hydrogen spillover effect, leading to an increase of the reducibilities of the promoted catalysts The better catalytic performance for the ethanol steam reforming was obtained for the NiPd/CeAl catalyst, which presented an effluent gaseous mixture with the highest H{sub 2} yield. (author)

The efficacy of magnetic field on the thermal behavior of MnFe{sub 2}O{sub 4} nanofluid as a functional fluid through an open-cell metal foam tube

Energy Technology Data Exchange (ETDEWEB)

Amani, Mohammad [Mechanical and Energy Engineering Department, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Ameri, Mohammad, E-mail: ameri_m@yahoo.com [Mechanical and Energy Engineering Department, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Kasaeian, Alibakhsh [Department of Renewable Energies Engineering, Faculty of New Sciences & Technologies, University of Tehran, Tehran (Iran, Islamic Republic of)

2017-06-15

Highlights: • Experiments are performed with MnFe{sub 2}O{sub 4} nanofluid through an open-cell metal foam tube. • Effects of concentration, Reynolds number and magnetic field on the nanofluid thermal behavior are examined. • Heat transfer is enhanced in attendance of constant and alternating magnetic fields. - Abstract: In the present experimental study, the influence of permanent and alternating magnetic fields on the flow and thermal behavior of MnFe{sub 2}O{sub 4} magnetic nanofluid flowing through a circular open-cell metal foam tube is investigated under homogeneous heat flux conditions. The experiments are performed at various nanoparticle concentrations, Reynolds numbers and magnetic fields with different strengths and frequencies. According to the observations, the heat transfer rate enhances directly relative to nanoparticle concentration and Reynolds number in attendance of magnetic field, whereas its maximum value of 16.4% is found for 2 wt% nanoparticles at Re = 200 under alternating field with 400 G strength and 20 Hz frequency. Moreover, it is observed that the influence of strength and frequency of magnetic field is insignificant for the pressure drop. Hydrothermal efficiency as the ratio of the Nusselt number to the ratio of the pressure drop is defined in order to evaluate the privilege of using MnFe{sub 2}O{sub 4} nanofluids in practical applications. The maximum efficiency of 1.25 is observed at 2 wt% under magnetic field with 400 G and 20 Hz at Re = 1000.

New sulfido antimonates of the heavy alkali metals. Synthesis, crystal structure and chemical bonding of (K/Rb/Cs){sub 3}SbS{sub 3} and Cs{sub 3}SbS{sub 4} . H{sub 2}O; Neue Sulfido-Antimonate der schweren Alkalimetalle. Synthese, Kristallstruktur und chemische Bindung von (K/Rb/Cs){sub 3}SbS{sub 3} und Cs{sub 3}SbS{sub 4} . H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Schindler, Lisa V.; Schwarz, Michael; Roehr, Caroline [Freiburg Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

2013-12-15

The new sulfido antimonates(III) (Rb/Cs){sub 3}SbS{sub 3} were prepared from the alkali metal sulfides Rb{sub 2}S/Cs{sub 2}S{sub 2} and elemental antimony and sulfur or Sb{sub 2}S{sub 3} at reaction temperatures of about 700 C. The known isotypic potassium compound was similarly synthesized from the elements. The structures of the light-yellow crystals were refined using single-crystal X-ray data. Both compounds are isotypic to the respective Na salt forming the Na{sub 3}AsS{sub 3} structure type (cubic, space group P2{sub 1}3, K/Rb/Cs: a = 947.21(7)/982.28(5)/1025.92(5) pm, Z = 4, R1 = 0.0159/0.0560/0.0582). The {psi}-tetrahedral SbS{sub 3}{sup 3-} anions with Sb-S bond lengths of 242 pm are arranged in a cubic face centered packing, in which the three crystallographically different A{sup +} cations occupy the tetrahedral and octahedral voids, overall exhibiting a distorted octahedral sulfur coordination. The chemical bonding and the characteristics of the stereochemically active lone electron pair have been investigated by means of FP-LAPW band structure calculations. Needle-shaped crystals of the monohydrate of the antimony(V) salt Cs{sub 3}SbS{sub 4} . H{sub 2}O were obtained from a suspension of Sb{sub 2}O{sub 3}, CsOH and elemental sulfur. Cs{sub 3}SbS{sub 4} . H{sub 2}O crystallizes in a new structure type (monoclinic, space group P2{sub 1}/c, a = 987.17(10), b = 994.83(7), c = 1600.46(14) pm, {beta} = 126.895(8) , Z = 4, R1 = 0.0234). As expected, the Sb-S distances (233.1-234.7 pm) in the nearly ideally tetrahedral anion SbS{sub 4}{sup 3-} are considerably shorter than in the antimonates(III) but match the bond lengths in the anhydrous sulfido antimonate(V) Cs{sub 3}SbS{sub 4}. Due to their similar fcc-like anion packing and the stereochemically active lone electron pair of Sb in the antimonates(III), the whole series of compounds A{sub 3}Sb{sup III,V}S{sub 3/4} shows a uniform structure relation, which is elucidated using crystallographic group

Ultrasonic investigation of GaV{sub 4}S{sub 8}

Energy Technology Data Exchange (ETDEWEB)

Cong, P.T.; Zherlitsyn, S.; Wosnitza, J. [Hochfeld-Magnetlabor Dresden, Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany); Mombetsu, S. [Hochfeld-Magnetlabor Dresden, Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany); Department of Physics, Hokkaido University (Japan); Tsurkan, V.; Loidl, A. [Institute of Physics, University of Augsburg, 86159 Augsburg (Germany)

2015-07-01

In recent years, transition metal-chalcogenides with the cubic GaMo{sub 4}S{sub 8}-type structure have attracted much interest because of their fascinating properties such as superconductivity under pressure, metal-insulator transition, 4d ferromagnetism and various structural and magnetic instabilities at low temperatures. These phenomena reflect the strong coupling of structural, electronic and magnetic degrees of freedom in this system. Here, we present results of ultrasound investigations performed on a high-quality single crystal of the tetrahedral magnetic-cluster material GaV{sub 4}S{sub 8}. The temperature dependence of the sound velocity and attenuation shows a huge anomaly at T{sub s} = 44 K followed by a pronounce feature at T{sub c} = 12.5 K related to a structural transition and ferromagnetic ordering, respectively, as known from previous magnetic-susceptibility and specific-heat results. A field-induced transition at temperatures below T{sub c} reveals a complex magnetic structure of GaV{sub 4}S{sub 8}, suggesting a competition of several interactions. Based on these measurements, we mapped out the B-T phase diagram of GaV{sub 4}S{sub 8} and discuss the role of the lattice degrees of freedom in this material.

Saturated vapor pressure over molten mixtures of GaCl{sub 3} and alkali metal chlorides; Davlenie nasyshchennykh parov rasplavlennykh smesej CaCl{sub 3} s khloridami shchelochnykh metallov

Energy Technology Data Exchange (ETDEWEB)

Salyulev, A B; Smolenskij, V V; Moskalenko, N I [UrO RAN, Inst. Vysokotemperaturnoj Ehlektrokhimii, Elaterinburg (Russian Federation)

2004-07-01

Volatilities of GaCl{sub 3} and alkali metal chlorides over diluted (up to 3 mol %) solutions of GaCl{sub 3} in LiCl, NaCl, KCl, RbCl, and CsCl were measured at 1100 K by dynamic and indirect static methods. Chemical composition of saturated vapor over the mixed melts was determined. Partial pressures of the components were calculated. Their values depend essentially on specific alkali metal cation and on concentration of GaCl{sub 3}; their variation permits altering parameters of GaCl{sub 3} distillation from the salt melt in a wide range.

Metal ion induced room temperature phase transformation and stimulated infrared spectroscopy on TiO{sub 2}-based surfaces

Energy Technology Data Exchange (ETDEWEB)

Gole, James L. [Schools of Physics and Mechanical Engineering, Georgia Institute of Technology, 837 State Street, Atlanta, GA 30332-0430 (United States)], E-mail: jim.gole@physics.gatech.edu; Prokes, S.M. [Code 6876, NRL, Washington, DC 20375 (United States)], E-mail: prokes@estd.nrl.navy.mil; White, Mark G. [Dave C. Swalm School of Chemical Engineering, James Worth Bagley College of Engineering, Box 959, MS 39762 (United States)], E-mail: white@che.msstate.edu

2008-11-30

Raman and infrared spectroscopy are used to demonstrate (1) the high spin metal ion induced room temperature transformation of anatase to rutile TiO{sub 2} and (2) the phenomena of stimulated IR spectroscopy induced by simultaneous nitrogen doping and high spin metal ion seeding of a TiO{sub 2} nanocolloid lattice.

Structural and magnetic properties and superconductivity in Ba(Fe<sub>1-xsub>TM_x)>2sub>As>2sub>

Energy Technology Data Exchange (ETDEWEB)

Thaler, Alexander [Iowa State Univ., Ames, IA (United States)

2012-01-01

We studied the effects on structural and magnetic phase transitions and the emergence of superconductivity in transition metal substituted BaFe<sub>2sub>As>2sub>. We grew four series of Ba(Fe<sub>1-xsub>TM>2sub>)>2sub>As>2sub> (TM=Ru, Mn, Co+Cr and Co+Mn) and characterized them by crystallographic, magnetic and transport measurements. We also subjected Ba(Fe<sub>1-xsub>Cr_x)>2sub>As>2sub> and Ba(Fe<sub>1-xsub>Co_x)>2sub>As>2sub> to heat treatment to explore what changes might be induced.

Low leakage Ru-strontium titanate-Ru metal-insulator-metal capacitors for sub-20 nm technology node in dynamic random access memory

Energy Technology Data Exchange (ETDEWEB)

Popovici, M., E-mail: Mihaela.Ioana.Popovici@imec.be; Swerts, J.; Redolfi, A.; Kaczer, B.; Aoulaiche, M.; Radu, I.; Clima, S.; Everaert, J.-L.; Van Elshocht, S.; Jurczak, M. [Imec, Leuven 3001 (Belgium)

2014-02-24

Improved metal-insulator-metal capacitor (MIMCAP) stacks with strontium titanate (STO) as dielectric sandwiched between Ru as top and bottom electrode are shown. The Ru/STO/Ru stack demonstrates clearly its potential to reach sub-20 nm technology nodes for dynamic random access memory. Downscaling of the equivalent oxide thickness, leakage current density (J{sub g}) of the MIMCAPs, and physical thickness of the STO have been realized by control of the Sr/Ti ratio and grain size using a heterogeneous TiO{sub 2}/STO based nanolaminate stack deposition and a two-step crystallization anneal. Replacement of TiN with Ru as both top and bottom electrodes reduces the amount of electrically active defects and is essential to achieve a low leakage current in the MIM capacitor.

Metal-insulator transition induced in CaVO{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Gu Man [Department of Physics, University of Virginia, 382 McCormick Rd., Charlottesville, Virginia 22904 (United States); Laverock, Jude; Chen, Bo; Smith, Kevin E. [Department of Physics, Boston University, 590 Commonwealth Avenue, Boston, Massachusetts 02215 (United States); Wolf, Stuart A. [Department of Physics, University of Virginia, 382 McCormick Rd., Charlottesville, Virginia 22904 (United States); Department of Materials Science and Engineering, University of Virginia, 395 McCormick Rd., Charlottesville, Virginia 22904 (United States); Lu Jiwei [Department of Materials Science and Engineering, University of Virginia, 395 McCormick Rd., Charlottesville, Virginia 22904 (United States)

2013-04-07

Stoichiometric CaVO{sub 3} (CVO) thin films of various thicknesses were grown on single crystal SrTiO{sub 3} (STO) (001) substrates using a pulsed electron-beam deposition technique. The CVO films were capped with a 2.5 nm STO layer. We observed a temperature driven metal-insulator transition (MIT) in CVO films with thicknesses below 4 nm that was not observed in either thick CVO films or STO films. The emergence of this MIT can be attributed to the reduction in effective bandwidth due to a crossover from a three-dimensional metal to a two-dimensional insulator. The insulating phase was only induced with a drive current below 0.1 {mu}A. X-ray absorption measurements indicated different electronic structures for thick and very thin films of CVO. Compared with the thick film ({approx}60 nm), thin films of CVO (2-4 nm) were more two-dimensional with the V charge state closer to V{sup 4+}.

Magnetic properties of Mg{sub 12}O{sub 12} nanocage doped with transition metal atoms (Mn, Fe, Co and Ni): DFT study

Energy Technology Data Exchange (ETDEWEB)

Javan, Masoud Bezi, E-mail: javan.masood@gmail.com

2015-07-01

Binding energy of the Mg{sub 12}O{sub 12} nanocage doped with transition metals (TM=Mn, Fe, Co and Ni) in endohedrally, exohedrally and substitutionally forms were studied using density functional theory with the generalized gradient approximation exchange-correlation functional along 6 different paths inside and outside of the Mg{sub 12}O{sub 12} nanocage. The most stable structures were determined with full geometry optimization near the minimum of the binding energy curves of all the examined paths inside and outside of the Mg{sub 12}O{sub 12} nanocage. The results reveal that for all stable structures, the Ni atom has a larger binding energy than the other TM atoms. It is also found that for all complexes additional peaks contributed by TM-3d, 4s and 4p states appear in the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) gap of the host MgO cluster. The mid-gap states are mainly due to the hybridization between TM-3d, 4s and 4p orbitals and the cage π orbitals. The magnetic moment of the endohedrally doped TM atoms in the Mg{sub 12}O{sub 12} are preserved to some extent due to the interaction between the TM and Mg{sub 12}O{sub 12} nanocage, in contrast to the completely quenched magnetic moment of the Fe and Ni atoms in the Mg{sub 11}(TM)O{sub 12} complexes. Furthermore, charge population analysis shows that charge transfer occurs from TM atom to the cage for endohedrally and substitutionally doping. - Highlights: • Binding energy of the Mg{sub 12}O{sub 12} nanocage doped with transition metals was studied. • The most stable structures were determined near the minimum of the binding energy. • The encapsulated Ni atom has a larger binding energy than the other TM atoms. • Magnetic moment of the endohedrally doped TM atoms in the Mg{sub 12}O{sub 12} are preserved.

N-type In/sub 2/S/sub 3/ thin films prepared by gas chalcogenization of metallic electroplated indium: Photoelectrochemical characterization

Energy Technology Data Exchange (ETDEWEB)

Herrero, J; Ortega, J

1988-08-01

Chalcogenization of electroplated metallic indium films onto Ti substrates has been carried out in a flowing stream of H/sub 2/S at about 350/sup 0/C for 1 h with a pretreatment of 3 h at 130/sup 0/C. X-ray diffraction patterns showed that ..beta..-In/sub 2/S/sub 3/ thin films were grown with a good crystalline quality. Photoelectrochemical characterization of the electrodes was accomplished in aqueous polysulphide solutions, and a energy gap of 2.00 eV was obtained. The flatband potential, V/sub fb/, in the same polysulphide couple was -1.0 V versus SCE. Behaviour of the thin film photocurrent with time was checked, and a photocorrosion reaction proposed.

Length scale-dependent structural relaxation in Zr{sub 57.5}Ti{sub 7.5}Nb{sub 5}Cu{sub 12.5}Ni{sub 10}Al{sub 7.5} metallic glass

Energy Technology Data Exchange (ETDEWEB)

Scudino, S., E-mail: s.scudino@ifw-dresden.de [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); Stoica, M. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); Kaban, I. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); TU Dresden, Institut für Werkstoffwissenschaft, D-01062 Dresden (Germany); Prashanth, K.G. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); Vaughan, G.B.M. [European Synchrotron Radiation Facilities ESRF, BP 220, 38043 Grenoble (France); Eckert, J. [IFW Dresden, Institut für Komplexe Materialien, Helmholtzstraße 20, D-01069 Dresden (Germany); TU Dresden, Institut für Werkstoffwissenschaft, D-01062 Dresden (Germany)

2015-08-05

Highlights: • Structural relaxation of metallic glasses studied by high-energy X-ray diffraction. • Free volume is not uniformly distributed across the atoms. • Annihilation of free volume (i.e. shrinking) during heating is observed in the MRO. • Increase of free volume (i.e. expansion) during heating occurs in the SRO. • First diffraction maximum in reciprocal space describes structural changes in MRO. - Abstract: Structural relaxation in ball-milled Zr{sub 57.5}Ti{sub 7.5}Nb{sub 5}Cu{sub 12.5}Ni{sub 10}Al{sub 7.5} glassy powders has been investigated by in-situ high-energy X-ray diffraction. The studies in reciprocal and real space reveal a contrasting behavior between medium- (MRO) and short-range order (SRO). The free volume is not uniformly distributed across the atoms: annihilation of free volume (i.e. shrinking) during heating is observed in the MRO, whereas an increase of free volume (i.e. expansion) occurs in the SRO, implying a denser SRO in the as-milled powder compared to the structurally relaxed material. This behavior is in agreement with the concepts of free volume and anti-free volume and can be attributed to the change of the coordination number in the first nearest-neighbor shell. Finally, the results demonstrate that the first diffuse diffraction maximum in reciprocal space is a reliable indicator to evaluate the structural changes occurring in the MRO.

NMR Studies of the Vanadium Spin Dynamics and Spin Structure in LiV<sub>2sub>O>4sub>, CaV<sub>2sub>O>4sub>, and (Li<sub>xV>1-xsub>)>3sub>BO>5sub> (x ≈ 0.33, 0.40)

Energy Technology Data Exchange (ETDEWEB)

Zong, Xiaopeng [Iowa State Univ., Ames, IA (United States)

2007-01-01

Strong electron correlation is believed to be an essential and unifying factor in diverse properties of condensed matter systems. Ground states that can arise due to electron correlation effects include Mott insulators, heavy fermion, ferromagnetism and antiferromagnetism, spin glasses, and high-temperature superconductivity. The electronic systems in transition metal oxide compounds are often highly correlated. In this thesis, the author presents experimental studies on three strongly correlated vanadium oxide compounds: LiV<sub>2sub>O>4sub>, (Li<sub>xV>1-xsub>)>3sub>BO>5sub>, and CaV<sub>2sub>O>4sub>, which have completely different ground states.

In vitro metal ion release and biocompatibility of amorphous Mg{sub 67}Zn{sub 28}Ca{sub 5} alloy with/without gelatin coating

Energy Technology Data Exchange (ETDEWEB)

Chan, W.Y., E-mail: chan.wing.yue@sgh.com.sg [School of Mechanical and Aerospace Engineering, Nanyang Technological University (Singapore); Department of Plastic, Reconstructive and Aesthetic Surgery, Singapore General Hospital (Singapore); Chian, K.S.; Tan, M.J. [School of Mechanical and Aerospace Engineering, Nanyang Technological University (Singapore)

2013-12-01

Amorphous zinc-rich Mg–Zn–Ca alloys have exhibited good tissue compatibility and low hydrogen evolution in vivo. However, suboptimal cell–surface interaction on magnesium alloy surface observed in vitro could lead to reduced integration with host tissue for regenerative purpose. This study aims to improve cell–surface interaction of amorphous Mg{sub 67}Zn{sub 28}Ca{sub 5} alloy by coating a gelatin layer by electrospinning. Coated/uncoated alloys were immersed and extracted for 3 days under different CO{sub 2}. The immersion results showed that pH and metal ion release in the alloy extracts were affected by gelatin coating and CO{sub 2}, suggesting their roles in alloy biocorrosion and a mechanism has been proposed for the alloy–CO{sub 2} system with/without coating. Cytotoxicity results are evident that gelatin-coated alloy with 2-day crosslinking not only exhibited no indirect cytotoxicity, but also supported attachment of L929 and MG63 cell lines around/on the alloy with high viability. Therefore, amorphous Mg{sub 67}Zn{sub 28}Ca{sub 5} alloy coated with gelatin by electrospinning technique provides a useful method to improve alloy biocompatibility. - Highlights: • Electrospinning is a new method to coat amorphous Mg{sub 67}Zn{sub 28}Ca{sub 5} alloy with gelatin. • Gelatin-coated alloy has differential effect on pH and ion release at various CO{sub 2}. • L929 cell proliferation correlates with Mg{sup 2+} level in alloy extracts. • Biomimetic gelatin coating significantly improves cell–surface interaction.

High-resolution sub-cellular imaging by correlative NanoSIMS and electron microscopy of amiodarone internalisation by lung macrophages as evidence for drug-induced phospholipidosis.

Science.gov (United States)

Jiang, Haibo; Passarelli, Melissa K; Munro, Peter M G; Kilburn, Matt R; West, Andrew; Dollery, Colin T; Gilmore, Ian S; Rakowska, Paulina D

2017-01-26

Correlative NanoSIMS and EM imaging of amiodarone-treated macrophages shows the internalisation of the drug at a sub-cellular level and reveals its accumulation within the lysosomes, providing direct evidence for amiodarone-induced phospholipidosis. Chemical fixation using tannic acid effectively seals cellular membranes aiding intracellular retention of diffusible drugs.

Electronic energy states of HfSe/sub 2/ and NbSe/sub 2/ by low energy electron loss spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Ito, T; Iwami, M; Hiraki, A [Osaka Univ., Suita (Japan). Faculty of Engineering

1981-06-01

Low energy electron loss spectroscopy (ELS) study was performed on 1T-HfSe/sub 2/ (group IVB metal compound) and 2H-NbSe/sub 2/ (group VB metal compound) by using incident electron energies of 30-250 eV. From the loss data in the second derivative form, maxima in density-of-states in the conduction band of the compounds were deduced through the information on the filled core states by X-ray photoelectron spectroscopy. The conduction band of the transition-metal dichalcogenides could be divided into two parts. The results are discussed in relation to the previous work on WS/sub 2/ (group VIB metal compound), and also to proposals based on band calculations and experimental studies on the transition-metal dichalcogenides with constituent metals of group IVB, VB and VIB.

Mixed valent noble metal perovskites Ba/sub 3/B/sup 3 +/Pt/sub x/Ru/sub 2-x//sup 4. 5+/O/sub 9/

Energy Technology Data Exchange (ETDEWEB)

Moessner, B; Kemmler-Sack, S; Ehmann, A [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1982-04-01

In perovskites of type Ba/sub 3/B/sup 3 +/Pt/sub x/Ru/sub 2-x//sup 4.5+/O/sub 9/ the ruthenium can be substituted by platinum up to x = 1. The compounds crystallize in a 1:2 ordered hexagonal BaTiO/sub 3/ structure (sequence (hcc)/sub 2/) with face connected Pt/sub x/Ru/sub 2-x/O/sub 9/ double octahedra. Intensity calculations on powder data of Ba/sub 3/YPt/sub 1/2/Ru/sub 3/2/O/sub 9/ (space group P6/sub 3//mmc) gave a refined, intensity related R' value of 8.6%. The vibrational spectroscopic and catalytic properties are reported.

Acoustic study of YBa sub 2 Cu sub 3 O sub x thin films

Energy Technology Data Exchange (ETDEWEB)

Lee, S.; Chi, C.; Koren, G.; Gupta, A. (IBM Research Division, Thomas J. Watson Research Center, P. O. Box 218, Yorktown Heights, New York 10598 (US))

1991-03-01

The attenuation of surface acoustic waves by epitaxial YBa{sub 2}Cu{sub 3}O{sub {ital x}} films has been studied for {ital x}{congruent}6 to 7. For fully oxygenated samples, the acoustic attenuation as a function of temperature shows two broad peaks at about 135 and 240 K, and decreases monotonically below the lower peak temperature. The cause of attenuation peaks is attributed to scattering by optical phonons. Our data do not show any gap structure at {ital T}{sub {ital c}} due to relatively weak electron-phonon interactions at the acoustic frequencies. As the oxygen deficiency increases, the temperature dependence of the dc resistance changes from metallic to semiconducting and finally to insulating behavior. Acoustic attenuation data correspondingly show a drastic change due to different attenuation mechanisms: from the phonon scattering loss in the metallic regime to the electric-field coupling loss in the semiconducting and insulating regimes. In the latter regimes, the temperature dependence of low-frequency resistance calculated from the attenuation data can be fitted to a three-dimensional Mott variable-range-hopping model.

Aspects of the SrO-CuO-TiO<sub>2sub> Ternary System Related to the Deposition of SrTiO<sub>3sub> and Copper-Doped SrTiO<sub>3sub> Thin-Film Buffer Layers

Energy Technology Data Exchange (ETDEWEB)

Ayala, Alicia [Univ. of New Mexico, Albuquerque, NM (United States)

2004-12-20

YBa<sub>2sub>Cu>3sub>O>27-δsub> (YBCO) coated conductors are promising materials for large-scale superconductivity applications. One version of a YBCO coated conductor is based on ion beam assisted deposition (IBAD) of magnesium oxide (MgO) onto polycrystalline metal substrates. SrTiO<sub>3sub> (STO) is often deposited by physical vapor deposition (PVD) methods as a buffer layer between the YBCO and IBAD MgO due to its chemical stability and lattice mismatch of only ~1.5% with YBCO. In this work, some aspects of the stability of STO with respect to copper (Cu) and chemical solution deposition of STO on IBAD MgO templates were examined. Solubility limits of Cu in STO were established by processing Cu-doped STO powders by conventional bulk preparation techniques. The maximum solubility of Cu in STO was ~1% as determined by transmission electron microscopy (TEM) and Rietveld refinements of x-ray diffraction (XRD) data. XRD analysis, performed in collaboration with NIST, on powder compositions on the STO/SrCuO<sub>2sub> tie line did not identify any ternary phases. SrCu<sub>0.10sub>T>0.90sub>O_y> buffer layers were prepared by pulsed laser deposition (PLD) and CSD on IBAD MgO flexible metallic textured tapes. TEM analysis of a ~100 nm thick SrCu<sub>0.10sub>Ti>0.90sub>O_y> buffer layer deposited by PLD showed a smooth Cu-doped STO/MgO interface. A ~600 nm thick YBCO film, deposited onto the SrCu<sub>0.10sub>Ti>0.90sub>O_y> buffer by PLD, exhibited a T<sub>c> of 87 K and critical current density (J<sub>c>) of ~1 MA/cm². STO and Cu-doped STO thin films by CSD were ~30 nm thick. The in plane alignment (FWHM) after deposition of the STO improved by ~1° while it degraded by ~2° with the SrCu<sub>0.05sub>TiO<sub>y> buffer. YBCO was deposited by PLD on the STO and SrCu_{0.05sub>TiOy> buffers. The in plane alignment (FWHM) of the YBCO with the STO buffer layer}

Cellular and biochemical responses of the oyster Crassostrea gigas to controlled exposures to metals and Alexandrium minutum

Energy Technology Data Exchange (ETDEWEB)

Haberkorn, Hansy; Lambert, Christophe; Le Goïc, Nelly [Laboratoire des Sciences de l‘Environnement Marin, UMR 6539, Institut Universitaire Européen de la Mer, Université de Bretagne Occidentale, Place Copernic, Technopôle Brest-Iroise, 29280 Plouzané (France); Quéré, Claudie [IFREMER Centre de Brest, Laboratoire de Physiologie des Invertébrés, Unité Physiologie Fonctionnelle des Organismes Marins, BP 70, 29280 Plouzané (France); Bruneau, Audrey; Riso, Ricardo; Auffret, Michel [Laboratoire des Sciences de l‘Environnement Marin, UMR 6539, Institut Universitaire Européen de la Mer, Université de Bretagne Occidentale, Place Copernic, Technopôle Brest-Iroise, 29280 Plouzané (France); Soudant, Philippe, E-mail: Philippe.Soudant@univ-brest.fr [Laboratoire des Sciences de l‘Environnement Marin, UMR 6539, Institut Universitaire Européen de la Mer, Université de Bretagne Occidentale, Place Copernic, Technopôle Brest-Iroise, 29280 Plouzané (France)

2014-02-15

Highlights: •Oysters, C. gigas, were exposed to both metals and PST-producer A. minutum. •Oysters exposed to metals accumulated about thirty-six times less PSTs. •Exposure to both metals and A. minutum induced antagonistic or synergetic effects. -- Abstract: Effects of simultaneous exposure of Pacific oyster, Crassostrea gigas, to both a harmful dinoflagellate that produces Paralytic Shellfish Toxins (PST), Alexandrium minutum, and cadmium (Cd) and copper (Cu), were assessed. Oysters were exposed to a mix of Cd–Cu with two different diets (i.e. A. minutum or Tisochrysis lutea) and compared to control oysters fed A. minutum or T. lutea, respectively, without metal addition. Metals and PST accumulations, digestive gland lipid composition, and cellular and biochemical hemolymph variables were measured after 4 days of exposure. Oysters exposed to Cd–Cu accumulated about thirty-six times less PSTs than oysters exposed to A. minutum alone. Exposure to Cd–Cu induced significant changes in neutral lipids (increase in diacylglycerol – DAG – and decrease in sterols) and phospholipids (decreases in phosphatidylcholine, phosphatidylethanolamine, cardiolipin and ceramide aminoethylphosphonate) of digestive gland suggesting that lipid metabolism disruptions and/or lipid peroxidation have occurred. Simultaneously, concentrations, percentages of dead cells and phenoloxidase activity of hemocytes increased in oysters exposed to metals while reactive oxygen species production of hemocytes decreased. Feeding on the harmful dinoflagellate A. minutum resulted in significant decreases in monoacylglycerol (MAG) and DAG and ether glycerides (EG), as well as significant increases in hemocyte concentration and phagocytic activity as compared to oysters fed T. lutea. Finally, the present study revealed that short-term, simultaneous exposure to Cd–Cu and A. minutum may induce antagonistic (i.e. hemocyte concentration and phagocytosis) or synergic (i.e. DAG content in

Metallic nature of Sn{sub 1-} {sub x} Sb {sub x} O{sub 2{+-}} {sub {delta}} (x=0.0, 0.10 and 0.20) mixed oxides: Probed by {sup 119}Sn MAS NMR

Energy Technology Data Exchange (ETDEWEB)

Jayakumar, O.D. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)]. E-mail: ddjaya@apsara.barc.ernet.in; Sudarsan, V. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Kulshreshtha, S.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

2007-04-15

Antimony doped SnO{sub 2} samples were prepared by co-precipitation method and characterized by X-ray diffraction (XRD), {sup 119}Sn magic angle spinning nuclear magnetic resonance (MAS NMR) and variable temperature electrical conductivity measurements. Based on {sup 119}Sn MAS NMR measurements on these samples, it was established that only above 400 deg. C, the structural units of antimony and tin interacts, resulting in the metallic nature. Metallic behavior of the high-temperature heated samples was further confirmed by the variable temperature electrical conductivity measurements.

Short-term acute hypercapnia affects cellular responses to trace metals in the hard clams Mercenaria mercenaria

International Nuclear Information System (INIS)

Ivanina, Anna V.; Beniash, Elia; Etzkorn, Markus; Meyers, Tiffany B.; Ringwood, Amy H.; Sokolova, Inna M.

2013-01-01

Highlights: •P CO 2 alters accumulation of Cd and Cu in clam cells. •Accumulation of Cd induces release of free Zn 2+ . •Accumulation of Cu induces an increase in free Cu 2+ and Fe 2+ . •Metal-induced oxidative stress is alleviated at high P CO 2 . •Toxicity of Cu in likely enhanced while that of Cd alleviated by high P CO 2 . -- Abstract: Estuarine and coastal habitats experience large fluctuations of environmental factors such as temperature, salinity, partial pressure of CO 2 (P CO 2 ) and pH; they also serve as the natural sinks for trace metals. Benthic filter-feeding organisms such as bivalves are exposed to the elevated concentrations of metals in estuarine water and sediments that can strongly affect their physiology. The effects of metals on estuarine organisms may be exacerbated by other environmental factors. Thus, a decrease in pH caused by high P CO 2 (hypercapnia) can modulate the effects of trace metals by affecting metal bioavailability, accumulation or binding. To better understand the cellular mechanisms of interactions between P CO 2 and trace metals in marine bivalves, we exposed isolated mantle cells of the hard clams (Mercenaria mercenaria) to different levels of P CO 2 (0.05, 1.52 and 3.01 kPa) and two major trace metal pollutants – cadmium (Cd) and copper (Cu). Elevated P CO 2 resulted in a decrease in intracellular pH (pH i ) of the isolated mantle cells from 7.8 to 7.4. Elevated P CO 2 significantly but differently affected the trace metal accumulation by the cells. Cd uptake was suppressed at elevated P CO 2 levels while Cu accumulation has greatly accelerated under hypercapnic conditions. Interestingly, at higher extracellular Cd levels, labile intracellular Cd 2+ concentration remained the same, while intracellular levels of free Zn 2+ increased suggesting that Cd 2+ substitutes bound Zn 2+ in these cells. In contrast, Cu exposure did not affect intracellular Zn 2+ but led to a profound increase in the intracellular levels

Selective Decontamination Effect of Metal Ions in Soil Using Supercritical CO{sub 2} and TBP Complex

Energy Technology Data Exchange (ETDEWEB)

Park, Jihye; Park, Kwangheon; Jung, Wonyoung [Kyunghee Univ., Yongin (Korea, Republic of)

2014-10-15

Decontamination of soil pollution is difficult because the type of contamination largely depends on the characteristics of the pollutant and the area. Also, existing soil decontamination methods generate large quantities of secondary waste and additional process costs. For this reason, new decontamination methods are always under active investigation. A method involving the use of supercritical carbon dioxide with excellent permeability in place of chemical solvents is currently being studied. Unlike other heavy metals in fission products, uranium is used as fuel, and must be handled carefully. Therefore, in this paper, we studied a supercritical carbon dioxide method for decontaminating heavy metal ions in soil using tri-n-butyl phosphate(TBP), which is well known as a ligand for the extraction of metal ions of actinium. We investigated the decontamination effect of heavy metal ions in the soil using TBP-HNO{sub 3} Complex and supercritical carbon dioxide. The study results showed that when heavy metals in soil are extracted using supercritical carbon dioxide, the extraction efficiency is different according to the type of pollutant metal ions in the soil. When TBP-HNO{sub 3} Complex is used with an extractant, uranium extraction is very effective, but lithium, strontium, and cesium extraction is not effective. Therefore, in the case of a mixture of uranium and other metals such as lithium, strontium, cesium, and so on in soil contaminated by fission product leaks from nuclear power plants, we can selectively decontaminate uranium with supercritical carbon dioxide and TBP-HNO{sub 3} Complex.

Metal-insulator-metal diodes with sub-nanometre surface roughness for energy-harvesting applications

KAUST Repository

Khan, A.A.; Jayaswal, Gaurav; Gahaffar, F.A.; Shamim, Atif

2017-01-01

For ambient radio-frequency (RF) energy harvesting, the available power levels are quite low, and it is highly desirable that the rectifying diodes do not consume any power at all. Contrary to semiconducting diodes, a tunnelling diode – also known as a metal-insulator-metal (MIM) diode – can provide zero-bias rectification, provided the two metals have different work functions. This could result in a complete passive rectenna system. Despite great potential, MIM diodes have not been investigated much in the GHz-frequency regime due to challenging nano-fabrication requirements. In this work, we investigate zero-bias MIM diodes for RF energy-harvesting applications. We studied the surface roughness issue for the bottom metal of the MIM diode for various deposition techniques such as sputtering, atomic layer deposition (ALD) and electron-beam (e-beam) evaporation for crystalline metals as well as for an amorphous alloy, namely ZrCuAlNi. A surface roughness of sub-1nm has been achieved for both the crystalline metals as well as the amorphous alloy, which is vital for the reliable operation of the MIM diode. An MIM diode comprising of a Ti-ZnO-Pt combination yields a zero-bias responsivity of 0.25V−1 and a dynamic resistance of 1200Ω. Complete RF characterisation has been performed by integrating the MIM diode with a coplanar waveguide transmission line. The input impedance varies from 100Ω to 50Ω in the frequency range of between 2GHz and 10GHz, which can be easily matched to typical antenna impedances in this frequency range. Finally, a rectified DC voltage of 4.7mV is obtained for an incoming RF power of 0.4W at zero bias. These preliminary results of zero-bias rectification indicate that complete, passive rectennas (a rectifier and antenna combination) are feasible with further optimisation of MIM devices.

Metal-insulator-metal diodes with sub-nanometre surface roughness for energy-harvesting applications

KAUST Repository

Khan, A.A.

2017-07-27

For ambient radio-frequency (RF) energy harvesting, the available power levels are quite low, and it is highly desirable that the rectifying diodes do not consume any power at all. Contrary to semiconducting diodes, a tunnelling diode – also known as a metal-insulator-metal (MIM) diode – can provide zero-bias rectification, provided the two metals have different work functions. This could result in a complete passive rectenna system. Despite great potential, MIM diodes have not been investigated much in the GHz-frequency regime due to challenging nano-fabrication requirements. In this work, we investigate zero-bias MIM diodes for RF energy-harvesting applications. We studied the surface roughness issue for the bottom metal of the MIM diode for various deposition techniques such as sputtering, atomic layer deposition (ALD) and electron-beam (e-beam) evaporation for crystalline metals as well as for an amorphous alloy, namely ZrCuAlNi. A surface roughness of sub-1nm has been achieved for both the crystalline metals as well as the amorphous alloy, which is vital for the reliable operation of the MIM diode. An MIM diode comprising of a Ti-ZnO-Pt combination yields a zero-bias responsivity of 0.25V−1 and a dynamic resistance of 1200Ω. Complete RF characterisation has been performed by integrating the MIM diode with a coplanar waveguide transmission line. The input impedance varies from 100Ω to 50Ω in the frequency range of between 2GHz and 10GHz, which can be easily matched to typical antenna impedances in this frequency range. Finally, a rectified DC voltage of 4.7mV is obtained for an incoming RF power of 0.4W at zero bias. These preliminary results of zero-bias rectification indicate that complete, passive rectennas (a rectifier and antenna combination) are feasible with further optimisation of MIM devices.

Examining changes in cellular communication in neuroendocrine cells after noble metal nanoparticle exposure.

Science.gov (United States)

Love, Sara A; Liu, Zhen; Haynes, Christy L

2012-07-07

As nanoparticles enjoy increasingly widespread use in commercial applications, the potential for unintentional exposure has become much more likely during any given day. Researchers in the field of nanotoxicity are working to determine the physicochemical nanoparticle properties that lead to toxicity in an effort to establish safe design rules. This work explores the effects of noble metal nanoparticle exposure in murine chromaffin cells, focusing on examining the effects of size and surface functionality (coating) in silver and gold, respectively. Carbon-fibre microelectrode amperometry was utilized to examine the effect of exposure on exocytosis function, at the single cell level, and provided new insights into the compromised functions of cells. Silver nanoparticles of varied size, between 15 and 60 nm diameter, were exposed to cells and found to alter the release kinetics of exocytosis for those cells exposed to the smallest examined size. Effects of gold were examined after modification with two commonly used 'bio-friendly' polymers, either heparin or poly (ethylene glycol), and gold nanoparticles were found to induce altered cellular adhesion or the number of chemical messenger molecules released, respectively. These results support the body of work suggesting that noble metal nanoparticles perturb exocytosis, typically altering the number of molecules and kinetics of release, and supports a direct disruption of the vesicle matrix by the nanoparticle. Overall, it is clear that various nanoparticle physicochemical properties, including size and surface coating, do modulate changes in cellular communication via exocytosis.