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Sample records for rcsub 5hsub 4sub

  1. Hydrogenation of ethylene over PrCo5Hsub(2.4)

    International Nuclear Information System (INIS)

    Soga, Kazuo; Imamura, Hayao; Ikeda, Sakuji

    1977-01-01

    To elucidate the chemical reactivity of the hydrogen atom absorbed in the hydrogenated alloy PrCo 5 H sub(n), the hydrogenation of ethylene was carried out over PrCo 5 Hsub(2.4) in the absence (A) or presence (B) of hydrogen in gas phase. PrCo 5 Hsub(2.4) was prepared from PrCo 5 according to an ordinary procedure with repeated heating and cooling in hydrogen atmosphere. The hydrogenation of ethylene was conducted at about -70 0 C in a conventional gas circulation system in a pressure range of ethylene 5 -- 16 cmHg and hydrogen 0 -- 38.0 cmHg. The hydrogenation rate was followed by gas chromatography. In the case of (A), the total gas pressure in the gas phase remained constant during the reaction. The hydrogenation rate was independent of the partial pressure of ethylene and it increased in proportion to the concentration of the absorbed hydrogen atom. The rate of desorption of the absorbed hydrogen atom from PrCo 5 Hsub(2.4) also measured under a reduced pressure. The desorption rate was approximately the same as the hydrogenation rate under the similar conditions. From these results, it was concluded that the migration process of the absorbed hydrogen atom from the bulk of the alloy to its surface was rate-determining. In the case of (B), on the other hand, the hydrogenation rate was accelerated by the gaseous hydrogen; the rate increased almost linearly with increasing pressure of hydrogen. The hydrogenation of ethylene was also conducted over PrCo 5 under the similar conditions. (auth.)

  2. Photochemistry of U(BH/sub 4/)/sub 4/ and U(BD/sub 4/)/sub 4/

    Energy Technology Data Exchange (ETDEWEB)

    Paine, R T; Schonberg, P R; Light, R W [New Mexico Univ., Albuquerque (USA). Dept. of Chemistry; Danen, W C; Freund, S M

    1979-01-01

    U(BH/sub 4/)/sub 4/ and U(BD/sub 4/)/sub 4/ are observed to undergo complex degradation reactions promoted by broadband UV radiation. The primary products of these reactions appear to be U(BH/sub 4/)/sub 3/, B/sub 2/H/sub 6/, H/sub 2/, U(BD/sub 4/)/sub 3/, B/sub 2/D/sub 6/ and D/sub 2/. Further, U(BD/sub 4/)/sub 4/ undergoes a related decomposition reaction under the influence of CO/sub 2/ laser irradiation at 924.97 cm/sup -1/.

  3. Treatment for GaSb surfaces using a sulphur blended (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4} solution

    Energy Technology Data Exchange (ETDEWEB)

    Murape, D.M., E-mail: Davison.Murape@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Eassa, N.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein, 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa)

    2012-07-01

    A sulphur based chemical, [(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na{sub 2}S{center_dot}9H{sub 2}O and (NH{sub 4}){sub 2}S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) than with (NH{sub 4}){sub 2}S or Na{sub 2}S{center_dot}9H{sub 2}O, as evidenced by the ratio of the O{sub 506eV} to Sb{sub 457eV} AES peaks. XPS results reveal that Sb{sub 2}S{sub 3}/Sb{sub 2}S{sub 5} 'replaces' Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5}, suggesting that sulphur atoms substitute oxygen atoms in Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5} to form Sb-S. It seems sulphurization only partially removes Ga{sub 2}O{sub 3}. Treatment with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

  4. Improved GaSb surfaces using a (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}S0{sub 4} solution

    Energy Technology Data Exchange (ETDEWEB)

    Murape, D.M., E-mail: Davison.Murape@live.nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Eassa, N.; Nyamhere, C.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa)

    2012-05-15

    Bulk (1 0 0) n-GaSb surfaces have been treated with a sulphur based solution ((NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}) to which sulphur has been added, not previously reported for the passivation of GaSb surfaces. Au/n-GaSb Schottky barrier diodes (SBDs) fabricated on the treated material show significant improvement compared to that of the similar SBDs on the as-received material as evidenced by the lower ideality factor (n), higher barrier height ({phi}{sub b}) and lower contact resistance obtained. Additionally, the reverse leakage current, although not saturating, has been reduced by almost an order of magnitude at -0.2 V. The sample surfaces were studied by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The native oxide, Sb-O, present on the as-received material is effectively removed on treating with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}]+S) and (NH{sub 4}){sub 2}S. Analysis of the as-received surface by XPS, prior to and after argon sputtering, suggests that the native oxide layer is {<=}8.5 nm.

  5. The role of carbonic anhydrase in C4sub> photosynthesis

    Energy Technology Data Exchange (ETDEWEB)

    Studer, Anthony [Life Sciences Research Foundation, Baltimore, MD (United States)

    2015-10-01

    Current pressures on the global food supply have accelerated the urgency for a second green revolution using novel and sustainable approaches to increase crop yield and efficiency. This proposal outlines experiments to address fundamental questions regarding the biology of C4sub> photosynthesis, the method of carbon fixation utilized by the most productive food, feed and bioenergy crops. Carbonic anhydrase (CA) has been implicated in multiple cellular functions including nitrogen metabolism, water use efficiency, and photosynthesis. CA catalyzes the first dedicated step in C4sub> photosynthesis, the hydration of CO2 into bicarbonate, and is potentially rate limiting in C4sub> grasses. Using insertional mutagenesis, we have generated CA mutants in maize, and propose the characterization of these mutants using phenotypic, physiological, and transcriptomic profiling to assay the plant’s response to altered CA activity. In addition, florescent protein tagging experiments will be employed to study the subcellular localization of CA paralogs, providing critical data for modeling carbon fixation in C4sub> plants. Finally, I propose parallel experiments in Setaria viridis to explore its relevance as model C4sub> grass. Using a multifaceted approach, this proposal addresses important questions in basic biology, as well as the need for translation research in response to looming global food challenges.

  6. Tris(Cyclopentadienyl)Uranium-t-Butyl: Synthesis, reactions, and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Weydert, Marc [Univ. of California, Berkeley, CA (United States)

    1993-04-01

    Compounds (RC>5H4sub>)3U(t-Bu) were prepared for R = H, Me, Et. Their decomposition products in aromatic solvents are consistent with a radical decomposition pathway induced by solvent-assisted U-C bond homolysis. NMR was used to study the reactions of (RC>5H4sub>)3UCl with t-BuLi (R = t-Bu, Me3Si). Reactions of (MeC5H4sub>)3U(t-Bu) with Lewis bases and fluorocarbons were studied. Analogous reaction chemistry between (RC>5H4sub>)3ThX systems and t-BuLi was also studied, and reactivity differences between U and Th are discussed. Synthesis of sterically crowded (RC>5H4sub>)4sub>U compounds is next considered. Reaction of the trivalent (RC>5H4sub>)3U with (RC>5H4sub>)2Hg results in formation of (RC>5H4sub>)4sub>U. Steric congestion, cyclopentadienyl ligand exchange, and electron transfer are discussed. (DLC)

  7. Integrated Data Collection Analysis (IDCA) Program - KClO4sub>/Aluminum Mixture

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC IHD), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC IHD), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC IHD), Indian Head, MD (United States). Indian Head Division; Whinnery, LeRoy L. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Shelley, Timothy J. [Air Force Research Lab. (AFRL), Tyndall AFB, FL (United States); Reyes, Jose A. [Applied Research Associates (ARA), Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2012-01-17

    The Integrated Data Collection Analysis (IDCA) program is conducting a Proficiency Test for Small-Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of a mixture of KClO4sub> and aluminum—KClO4sub>/Al mixture. This material was selected because of the challenge of performing SSST testing of a mixture of two solids. The mixture was found to be: 1) much less sensitive to impact than RDX, (LLNL being the exception) and PETN, 2) more sensitive to friction than RDX and PETN, and 3) extremely sensitive to spark. The thermal analysis showed little or no exothermic character. One prominent endothermic feature was observed in the temperature range studied and identified as a phase transition of KClO4sub>.

  8. New fundamental experimental studies on {alpha}-Mg(BH{sub 4}){sub 2} and other borohydrides

    Energy Technology Data Exchange (ETDEWEB)

    Hagemann, Hans, E-mail: Hans-Rudolf.Hagemann@unige.ch [Dept. de Chim. Phys, Univ. of Geneva (Switzerland); D' Anna, Vincenza [Dept. de Chim. Phys, Univ. of Geneva (Switzerland); Rapin, Jean-Philippe; Cerny, Radovan [Lab. Crystallography, Univ. of Geneva (Switzerland); Filinchuk, Yaroslav [Swiss-Norwegian Beam Lines at ESRF, Grenoble (France); Kim, Ki Chul; Sholl, David S. [School of Chemical and Biomolecular Engineering, Georgia Inst. Technol., Atlanta (United States); Parker, Stewart F. [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)

    2011-09-15

    Research highlights: > Eutectic behavior is observed in the LiBH4 -Mg(BH4)2 system. > New INS data show good agreement with theoretical DFT calculations. > Temperature dependent Raman spectra complement previous NMR studies. - Abstract: Several new studies of Mg(BH{sub 4}){sub 2} are reported. A 1:1 LiBH{sub 4}:Mg(BH{sub 4}){sub 2} mixture was studied by in situ synchrotron X-ray diffraction and reveals an eutectic behavior with the eutectic composition more rich in Mg(BH{sub 4}){sub 2}, and the eutectic temperature lower than 456 K. No dual cation compound was observed in this experiment. New vibrational spectra including INS data have been obtained and are compared with theoretical DFT calculations and recent NMR studies, showing good agreement.

  9. Scattering theory for lattice phi4sub(D+1) theory

    International Nuclear Information System (INIS)

    Garczynski, W.

    1983-01-01

    Feynman rules are derived for a lattice version of the phi 4 sub(D+1) theory. The lattice values are transcribed, via a quasicontinual representation, into a continuous, non-local in spatial variables field theory, which is then quantized by the path integral method. (orig.)

  10. Tris(Cyclopentadienyl)Uranium-t-Butyl: Synthesis, reactions, and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Weydert, M.

    1993-04-01

    Compounds (RC[sub 5]H[sub 4])[sub 3]U(t-Bu) were prepared for R = H, Me, Et. Their decomposition products in aromatic solvents are consistent with a radical decomposition pathway induced by solvent-assisted U-C bond homolysis. NMR was used to study the reactions of (RC[sub 5]H[sub 4])[sub 3]UCl with t-BuLi (R = t-Bu, Me[sub 3]Si). Reactions of (MeC[sub 5]H[sub 4])[sub 3]U(t-Bu) with Lewis bases and fluorocarbons were studied. Analogous reaction chemistry between (RC[sub 5]H[sub 4])[sub 3]ThX systems and t-BuLi was also studied, and reactivity differences between U and Th are discussed. Synthesis of sterically crowded (RC[sub 5]H[sub 4])[sub 4]U compounds is next considered. Reaction of the trivalent (RC[sub 5]H[sub 4])[sub 3]U with (RC[sub 5]H[sub 4])[sub 2]Hg results in formation of (RC[sub 5]H[sub 4])[sub 4]U. Steric congestion, cyclopentadienyl ligand exchange, and electron transfer are discussed. (DLC)

  11. Ln{sup 3+}:KLu(WO{sub 4}){sub 2}/KLu(WO{sub 4}){sub 2} epitaxial layers: Crystal growth and physical characterisation

    Energy Technology Data Exchange (ETDEWEB)

    Silvestre, O.; Pujol, M.C.; Sole, R.; Bolanos, W.; Carvajal, J.J.; Massons, J.; Aguilo, M. [Fisica i Cristal.lografia de Materials (FiCMA), Universitat Rovira i Virgili, Campus Sescelades c/Marcel.li Domingo, s/n E-43007 Tarragona (Spain); Diaz, F. [Fisica i Cristal.lografia de Materials (FiCMA), Universitat Rovira i Virgili, Campus Sescelades c/Marcel.li Domingo, s/n E-43007 Tarragona (Spain)], E-mail: f.diaz@urv.cat

    2008-01-15

    Monoclinic epitaxial layers of single doped KLu{sub 1-x}Ln{sub x}(WO{sub 4}){sub 2} (Ln{sup 3+} = Yb{sup 3+} and Tm{sup 3+}) have been grown on optically passive KLuW substrates by liquid phase epitaxy (LPE) technique using K{sub 2}W{sub 2}O{sub 7} as solvent. The ytterbium content in the layer is in the range of 0.05 < x < 0.75 atomic substitution and the studied thulium concentrations are 0.05 < x < 0.10. The grown epitaxies are free of macroscopic defects and only in highly ytterbium-doped epilayers do some cracks or inclusions appear. The refractive indices of the epilayers were determined. The absorption and emission cross sections of ytterbium and thulium in KLuW are characterised and laser generation results are presented and discussed.

  12. Quaternary (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys and photosensitive structures on their basis

    Energy Technology Data Exchange (ETDEWEB)

    Bodnar, I. V. [Belarusian State University of Informatics and Radioelectronics (Belarus); Rud, V. Yu., E-mail: rudvas.spb@gmail.com [St. Petersburg State Polytechnical University (Russian Federation); Rud, Yu. V. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation); Lozhkin, D. V. [Belarusian State University of Informatics and Radioelectronics (Belarus)

    2011-07-15

    Using directional crystallization of the melt of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloy, homogeneous crystals of a similar atomic composition are grown over the entire range of compositions 1 {>=} x {>=} 0. It is established that the crystals of the continuous series of quaternary alloys in the range x = 0-1 crystallize in the spinel structure and lattice parameter a linearly depends on x. It is established that it is possible to obtain In(Al)/(FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} photosensitive structures. Room-temperature spectra of relative quantum efficiency of photoconversion of the In(Al)/(FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} structures fabricated for the first time are obtained. From the analysis of these spectra, activation energies of direct and indirect band-to-band transitions for the crystals of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys are determined and the dependence of these parameters on the composition of the position-disordered phases of mentioned alloys is discussed. It is concluded that the crystals of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys can be used in broadband photoconverters of optical radiation.

  13. Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yahia, H. Ben [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, P.O. Box 5825 Doha (Qatar); Essehli, R., E-mail: ressehli@qf.org.qa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, P.O. Box 5825 Doha (Qatar); Avdeev, M. [Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights NSW 2234 (Australia); Park, J-B.; Sun, Y-K. [Department of Energy Engineering Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Al-Maadeed, M.A. [Center for Advanced Materials (CAM), Qatar University, 2713 Doha (Qatar); Belharouak, I., E-mail: ibelharouak@qf.org.qa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, P.O. Box 5825 Doha (Qatar)

    2016-06-15

    The new compounds NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} crystallize with a stuffed α-CrPO{sub 4}-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structures of NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} a statistical disorder Ni{sup 2+}/Cr{sup 3+} was observed on both the 8g and 4a atomic positions, whereas in NaCoCr{sub 2}(PO{sub 4}){sub 3} the statistical disorder Co{sup 2+}/Cr{sup 3+} was only observed on the 8g atomic position. When tested as negative electrode materials, NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} delivered specific capacities of 352, 385, and 368 mA h g{sup −1}, respectively, which attests to the electrochemical activity of sodium in these compounds. - Highlights: • NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} were synthesized by sol-gel method. • The crystal structures were determined by using neutron powder diffraction data. • The three compounds crystallize with a stuffed α-CrPO{sub 4}-type structure. • The three compounds were tested as anodes in sodium-ion batteries. • Relatively high specific capacities were obtained for these compounds.

  14. Integrated Data Collection Analysis (IDCA) Program - KClO4sub>/Carbon Mixture

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Shelley, Timothy J. [Air Force Research Lab. (AFRL), Tyndall AFB, FL (United States); Reyes, Jose A. [Applied Research Associates, Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2013-01-31

    The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of a mixture of KClO4sub> and activated carbon—KClO4sub>/C mixture. This material was selected because of the challenge of performing SSST testing of a mixture of two solids. The mixture was found to be insensitive to impact, friction, and thermal stimulus, and somewhat sensitive to spark discharge. This effort, funded by the Department of Homeland Security (DHS), ultimately will put the issues of safe handling of these materials in perspective with standard military explosives. The study is adding SSST testing results for a broad suite of different HMEs to the literature. Ultimately the study has the potential to suggest new guidelines and methods and possibly establish the SSST testing accuracies needed to develop safe handling practices for HMEs. Each participating testing laboratory uses identical test materials and preparation methods wherever possible. Note, however, the test procedures differ among the laboratories. The results are compared among the laboratories and then compared to historical data from various sources. The testing performers involved for the KClO4sub>/carbon mixture are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Indian Head Division, Naval Surface Warfare Center, (NSWC IHD), and Air Force Research Laboratory (AFRL/RXQL). These tests are conducted as a proficiency study in order to establish some consistency in test protocols, procedures, and experiments and to understand how to compare results when these testing variables cannot be made consistent.

  15. Europium doping in monoclinic KYb(WO{sub 4}){sub 2} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Loiko, P.A. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain); Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Vilejshikova, E.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Mateos, X., E-mail: xavier.mateos@urv.cat [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain); Serres, J.M. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain); Dunina, E.B.; Kornienko, A.A. [Vitebsk State Technological University, 72 Moskovskaya Ave., Vitebsk 210035 (Belarus); Yumashev, K.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Aguiló, M.; Díaz, F. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain)

    2017-03-15

    We report on a detailed spectroscopic study of Eu{sup 3+} ions in the monoclinic KYb(WO{sub 4}){sub 2} crystal. The polarized room and low-temperature absorption spectra are measured. The maximum σ{sub abs} corresponding to the {sup 7}F{sub 1} → {sup 5}D{sub 1} transition is 1.32×10{sup –20} cm{sup 2} at 534.2 nm with a bandwidth of 0.7 nm (for E||N{sub m}). The Stark sub-levels of the excited mulitplets are determined. A Judd-Ofelt analysis is applied to the Eu{sup 3+}:KYb(WO{sub 4}){sub 2} crystal to determine the probability of spontaneous transitions, radiative lifetimes and luminescence branching ratios. Within the strong configuration interaction (SCI) approximation, the intensity parameters are Ω{sub 2}=4.757, Ω{sub 4}=2.295, Ω{sub 6}=1.644 [10{sup –20} cm{sup 2}] and Δ{sub f}=50160 cm{sup –1}. The radiative lifetime of the {sup 5}D{sub 0} state is 351 µs. The maximum stimulated-emission cross-section corresponding to the {sup 7}F{sub 1} → {sup 5}D{sub 1} transition is 1.44×10{sup –20} cm{sup 2} at 703.2 nm (for E||N{sub m}). Under UV excitation, the Eu{sup 3+}:KYb(WO{sub 4}){sub 2} crystal provides intense red photoluminescence with CIE coordinates, x=0.675, y=0.325.

  16. Integrated Data Collection Analysis (IDCA) program--KClO4sub>/Dodecane Mixture

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Shelley, Timothy J. [Air Force Research Lab. (AFRL), Tyndall AFB, FL (United States); Reyes, Jose A. [Applied Research Associates, Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2012-05-11

    The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of a mixture of KClO4sub> and dodecane—KClO4sub>/dodecane mixture. This material was selected because of the challenge of performing SSST testing of a mixture of solid and liquid materials. The mixture was found to: 1) be less sensitive to impact than RDX, and PETN, 2) less sensitive to friction than RDX and PETN, and 3) less sensitive to spark than RDX and PETN. The thermal analysis showed little or no exothermic features suggesting that the dodecane volatilized at low temperatures. A prominent endothermic feature was observed and assigned to a phase transition of KClO4sub>. This effort, funded by the Department of Homeland Security (DHS), ultimately will put the issues of safe handling of these materials in perspective with standard military explosives. The study is adding SSST testing results for a broad suite of different HMEs to the literature. Ultimately the study has the potential to suggest new guidelines and methods and possibly establish the SSST testing accuracies needed to develop safe handling practices for HMEs. Each participating testing laboratory uses identical test materials and preparation methods wherever possible. Note, however, the test procedures differ among the laboratories. The results are compared among the laboratories and then compared to historical data from various sources. The testing performers involved for the KClO4sub>/dodecane mixture are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Indian Head Division, Naval Surface Warfare Center, (NSWC IHD), and Air Force Research Laboratory (AFRL/RXQL). These tests are conducted as a proficiency study in order to establish some

  17. Synthesis of Zn(BH{sub 4}){sub 2} and Gas Absorption and Release Characteristics of Zn(BH{sub 4}){sub 2}, Ni, or Ti-Added MgH{sub 2}–Based Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kwak, Young Jun; Lee, Seong Ho; Kwon, Sung Nam; Park Il Woo; Song, Myoung Youp [Chonbuk National University, Jeonju (Korea, Republic of)

    2015-07-15

    A sample [named Zn(BH{sub 4}){sub 2}(+NaCl)] was synthesized by milling ZnCl{sub 2} and NaBH{sub 4} at 400 rpm under argon gas for 2 h. And Zn(BH{sub 4}){sub 2}(+NaCl)+MgH{sub 2} sample was prepared by milling MgH{sub 2} in a planetary ball mill and mixing with the Zn(BH{sub 4}){sub 2}(+NaCl) synthesized by milling for 4 h in a mortar with a pestle. Then the gas-release characteristics of the two samples were investrigated. Analyses of XRD patterns and FT-IR spectra, as well as TGA, DTA, and SEM observations, were also performed. After heating the samples to 400 ℃, the weight losses of Zn(BH{sub 4}){sub 2}(+NaCl) and Zn(BH{sub 4}){sub 2}(+NaCl)+MgH{sub 2} were 11.2 and 8.2 wt%, respectively, with respect to the sample weight. The DTA results for the two samples showed a decomposition peak for Zn(BH{sub 4}){sub 2} at about 61 ℃. The DTA result of Zn(BH{sub 4}){sub 2}(+NaCl) + MgH{sub 2} showed a decomposition peak for MgH{sub 2} at about 374 ℃. A sample of Zn(BH{sub 4}){sub 2}(+NaCl)+MgH{sub 2} to which Ni, and Ti were added, with a composition of 90 wt% MgH{sub 2}-5 wt% Zn(BH{sub 4}){sub 2}(+NaCl)-2.5 wt% Ni-2.5 wt% Ti, in which a large amount of MgH2 is contained in order to make a large quantity of hydrogen be absorbed and released reversibly, was also prepared. The experimental results showed that addition of Zn(BH{sub 4}){sub 2}(+NaCl), Ni, or Ti increased the dehydriding rate of MgH{sub 2}, while decreased its initial hydriding rate.

  18. Growth, spectroscopy and laser operation of Ho:KY(WO{sub 4}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Jambunathan, V. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n. E-43007 Tarragona (Spain); HiLASE Centre, Institute of Physics ASCR, Za Radnicí 828, 25241 Dolní Břežany (Czech Republic); Mateos, X., E-mail: xavier.mateos@urv.cat [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n. E-43007 Tarragona (Spain); Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, 2A Max-Born-Str., D-12489 Berlin (Germany); Loiko, P.A. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n. E-43007 Tarragona (Spain); Center for Optical Materials and Technologies, Belarusian National Technical University, 65/17 Nezavisimosti Ave., 220013 Minsk (Belarus); Serres, J.M. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n. E-43007 Tarragona (Spain); Griebner, U.; Petrov, V. [Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, 2A Max-Born-Str., D-12489 Berlin (Germany); Yumashev, K.V. [Center for Optical Materials and Technologies, Belarusian National Technical University, 65/17 Nezavisimosti Ave., 220013 Minsk (Belarus); and others

    2016-11-15

    Monoclinic Ho:KY(WO{sub 4}){sub 2} crystals doped with up to 7.5 at.% Ho are grown by the Top Seeded Solution Growth-Slow Cooling method. The evolution of their unit cell parameters in dependence on the Ho doping and temperature is studied. The polarized low-temperature (6 K) optical absorption of the Ho{sup 3+} ion is investigated in detail to determine the energy of the Stark sub-levels. Room-temperature absorption, stimulated-emission and gain cross-section spectra of Ho:KY(WO{sub 4}){sub 2} crystals are derived for polarizations parallel to the principal optical axes, E||N{sub p}, N{sub m} and N{sub g}. The maximum absorption cross-section for the {sup 5}I{sub 8}→{sup 5}I{sub 7} transition is 1.60×10{sup −20} cm{sup 2} at 1961.0 nm and the maximum stimulated-emission cross-section for the {sup 5}I{sub 7}→{sup 5}I{sub 8} transition is 2.65×10{sup −20} cm{sup 2} at 2056.3 nm (for E||N{sub m}). The radiative lifetime of the upper laser level of the Ho{sup 3+} ion ({sup 5}I{sub 7}) amounts to 4.8 ms. Continuous-wave Ho{sup 3+} laser operation is achieved under in-band pumping by a Tm laser at 1946 nm. In the microchip configuration, the maximum output power reached 205 mW at 2105 nm with a slope efficiency as high as 85%.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-05-15

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

  20. Thermal properties and phase transition in the fluoride, (NH{sub 4}){sub 3}SnF{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Kartashev, A.V. [Kirensky Institute of Physics, Siberian Department of the Russian Academy of Sciences, 660036 Krasnoyarsk (Russian Federation); Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk (Russian Federation); Gorev, M.V. [Kirensky Institute of Physics, Siberian Department of the Russian Academy of Sciences, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Bogdanov, E.V. [Kirensky Institute of Physics, Siberian Department of the Russian Academy of Sciences, 660036 Krasnoyarsk (Russian Federation); Krasnoyarsk State Agrarian University, 660049 Krasnoyarsk (Russian Federation); Flerov, I.N. [Kirensky Institute of Physics, Siberian Department of the Russian Academy of Sciences, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Laptash, N.M. [Institute of Chemistry, Far Eastern Department of the Russian Academy of Sciences, 690022 Vladivostok (Russian Federation)

    2016-05-15

    Calorimetric, dilatometric and differential thermal analysis studies were performed on (NH{sub 4}){sub 3}SnF{sub 7} for a wide range of temperatures and pressures. Large entropy (δS{sub 0}=22 J/mol K) and elastic deformation (δ(ΔV/V){sub 0}=0.89%) jumps have proven that the Pa-3↔Pm-3m phase transition is a strong first order structural transformation. A total entropy change of ΔS{sub 0}=32.5 J/mol K is characteristic for the order–disorder phase transition, and is equal to the sum of entropy changes in the related material, (NH{sub 4}){sub 3}TiF{sub 7}, undergoing transformation between the two cubic phases through the intermediate phases. Hydrostatic pressure decreases the stability of the high temperature Pm-3m phase in (NH{sub 4}){sub 3}SnF{sub 7}, contrary to (NH{sub 4}){sub 3}TiF{sub 7}, characterised by a negative baric coefficient. The effect of experimental conditions on the chemical stability of (NH{sub 4}){sub 3}SnF{sub 7} was observed. - Graphical abstract: Strong first order structural transformation Pa-3↔Pm-3m in (NH{sub 4}){sub 3}SnF{sub 7} is associated with very large total entropy change of ΔS{sub 0}=32.5 J/mol K characteristic for the ordering processes and equal to the sum of entropy changes in the related (NH{sub 4}){sub 3}TiF{sub 7} undergoing transformation between the same two cubic phases through the intermediate phases. - Highlights: • (NH{sub 4}){sub 3}SnF{sub 7} undergoes strong first order Pa-3↔Pm-3m phase transition. • Anomalous behaviour of ΔC{sub p} and ΔV/V exists far below phase transition temperature. • Structural distortions are accompanied by huge total entropy change ΔS≈Rln50. • High pressure strongly increases the stability of Pa-3 phase in (NH{sub 4}){sub 3}SnF{sub 7}. • Entropy of the Pa-3↔Pm-3m phase transition does not depend on pressure.

  1. Energy spectrum of CsDy(MoO/sub 4/)/sub 2/ in the vicinity of the structural phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Khats' ko, E N; Chernyj, A S [AN Ukrainskoj SSR, Kharkov. Fiziko-Tekhnicheskij Inst. Nizkikh Temperatur

    1981-08-01

    The magnetic susceptibilities of CsDy(MoO/sub 4/)/sub 2/ and CsDy(MoO/sub 4/)/sub 2/+10%Eu/sup 3 +/ were measured in the temperature range 4 to 70 K and the frequency range 200 Hz to 20 MHz. The observed spin-lattice relaxation of the Dy/sup 3 +/ ion is found to be exponential with the relaxation time as a function of temperature tau/sup -1/=A exp (-..delta../kT) with ..delta..=105+-20 and 250+-40 cm/sup -1/ for CsDy(MoO/sub 4/)/sub 2/ in ranges 10-20 K and 20-38 K, respectively, and ..delta..=22.4+-5 cm for C=sDy(MoO/sub 4/)/sub 2/+10%Eu/sup 3 +/. The energies ..delta..105+-20 and 250 -40cm/sup -1/ are suggested to correspond to the first and second excited levels of Dy/sup 3 +/ in the low temperature phase of CsDy(MoO/sub 4/)/sub 2/, and ..delta..=22.4+-5 cm/sup -1/ to the first excited level of Dy/sup 3 +/ in the high temperature phase of the compound.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-07-11

    The geometric and electronic ground-state structures of six MS4sub> molecules (M = group-8 metals Fe, Ru, Os, Hs, Sm, and Pu) have been studied by using quantum-chemical density-functional and correlated wave-function approaches. The MS4sub> species are compared to analogous MO4sub> species recently investi-gated (Inorg. Chem. 2016, 55: 4616). Metal oxidation state (MOS) of high value VIII appears in low- spin singlet Td geometric species (Os,Hs)S4sub> and (Ru,Os,Hs)O4sub>, whereas low MOS=II appears in high- spin septet D2d species Fe(S2)2 and (slightly excited) metastable Fe(O2)2. The ground states of all other molecules have intermediate MOS values, containing S2-, S22-, S21- (and resp. O2--, O1-, O22-, O21-) ligands, bonded by ionic, covalent and correlative contributions.

  3. LiV2O4sub>: A heavy fermion transition metal oxide

    Energy Technology Data Exchange (ETDEWEB)

    Kondo, Shinichiro [Iowa State Univ., Ames, IA (United States)

    1999-02-12

    The format of this dissertation is as follows. In the remainder of Chapter 1, brief introductions and reviews are given to the topics of frustration, heavy fermions and spinels including the precedent work of LiV2O4sub>. In Chapter 2, as a general overview of this work the important publication in Physical Review Letters by the author of this dissertation and collaborators regarding the discovery of the heavy fermion behavior in LiV2O4sub> is introduced [removed for separate processing]. The preparation methods employed by the author for nine LiV2O4sub> and two Li1+xTi2-xO4sub> (x = 0 and 1/3) polycrystalline samples are introduced in Chapter 3. The subsequent structural characterization of the LiV2O4sub> and Li1+xT2-xO4sub> samples was done by the author using thermogravimetric analysis (TGA), x-ray diffraction measurements and their structural refinements by the Rietveld analysis. The results of the characterization are detailed in Chapter 3. In Chapter 4 magnetization measurements carried out by the author are detailed. In Chapter 5, after briefly discussing the resistivity measurement results including the single-crystal work by Rogers et al., for the purpose of clear characterization of LiV2O4sub> it is of great importance to introduce in the following chapters the experiments and subsequent data analyses done by his collaborators. Heat capacity measurements (Chapter 6) were carried out and analyzed by Dr. C.A. Swenson, and modeled theoretically by Dr. D.C. Johnston. In Chapter 7 a thermal expansion study using neutron diffraction by Dr. O. Chmaissem et al. and capacitance dilatometry measurements by Dr. C.A. Swenson are introduced. The data analyses for the thermal expansion study were mainly done by Dr. O. Chmaissem (for neutron diffraction) and Dr. C.A. Swendon (for dilatometry), with assistances by Dr. J

  4. Crystal structures and magnetic properties of iron (III)-based phosphates: Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Essehli, Rachid, E-mail: rachid_essehli@yahoo.fr [Laboratory of Mineral Solid and Analytical Chemistry ' LCSMA' , Department of Chemistry, Faculty of Sciences, University Mohamed I, Po. Box 717, 60000 Oujda (Morocco); Bali, Brahim El [Laboratory of Mineral Solid and Analytical Chemistry ' LCSMA' , Department of Chemistry, Faculty of Sciences, University Mohamed I, Po. Box 717, 60000 Oujda (Morocco); Benmokhtar, Said [LCMS, Laboratoire de Chimie des Materiaux Solides, Departement de chimie, Faculte des Sciences Ben M' SIK, Casablanca (Morocco); Bouziane, Khalid [Physics Department, College of Science, Sultan Qaboos University, PO Box 36, Postal Code 123 Al Khod, Sultanate of Oman (Oman); Manoun, Bouchaib [Laboratoire de Physico-Chimie des Materiaux, Departement de Chimie, FST Errachidia, University Moulay Ismail, B.P. 509 Boutalamine, Errachidia (Morocco); Abdalslam, Mouner Ahmed [Materials Science, Technical University Darmstadt, Darmstadt (Germany); Ehrenberg, Helmut [IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany)

    2011-01-28

    Graphical abstract: A perspective view of the Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3} structure along the [0 0 1] direction. Both compounds seem to exibit antiferromagnetic interactions between magnetic entities at low temperature. Display Omitted Research highlights: > Nasicon and Alluaudite compounds, Iron(III)-based phosphates, Crystal structures of Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}. > Magnetism behaviours of Na{sub 4}NiFe(PO{sub 4}){sub 3} and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3}. > Antiferromagnetism interactions. > Mossbauer spectroscopy. - Abstract: Crystal structures from two new phosphates Na{sub 4}NiFe(PO{sub 4}){sub 3} (I) and Na{sub 2}Ni{sub 2}Fe(PO{sub 4}){sub 3} (II) have been determined by single crystal X-ray diffraction analysis. Compound (I) crystallizes in a rhombohedral system (S. G: R-3c, Z = 6, a = 8.7350(9) A, c = 21.643(4) A, R{sub 1} = 0.041, wR{sub 2}=0.120). Compound (II) crystallizes in a monoclinic system (S. G: C2/c, Z = 4, a = 11.729(7) A, b = 12.433(5) A, c = 6.431(2) A, {beta} = 113.66(4){sup o}, R{sub 1} = 0.043, wR{sub 2}=0.111). The three-dimensional structure of (I) is closely related to the Nasicon structural type, consisting of corner sharing [(Ni/Fe)O{sub 6}] octahedra and [PO{sub 4}] tetrahedra forming [NiFe(PO{sub 4}){sub 3}]{sup 4+} units which align in chains along the c-axis. The Na{sup +} cations fill up trigonal antiprismatic sites within these chains. The crystal structure of (II) belongs to the alluaudite type. Its open framework results from [Ni{sub 2}O{sub 10}] units of edge-sharing [NiO{sub 6}] octahedra, which alternate with [FeO{sub 6}] octahedra that form infinite chains. Coordination of these chains yields two distinct tunnels in which site Na{sup +}. The magnetization data of compound (I) reveal antiferromagnetic (AFM) interactions by the onset of deviations from a Curie-Weiss behaviour at low temperature as confirmed by Moessbauer measurements performed at 4.2 K. The

  5. Crystal structure of the alluaudite Ag{sub 2}Mn{sub 3}(VO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yahia, Hamdi Ben; Essehli, Rachid; Belharouak, Ilias [Hamad Bin Khalifa Univ., Doha (Qatar). Qatar Environment and Energy Research Inst.; Shikano, Masahiro [National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka (Japan). Research Inst. of Electrochemical Energy

    2016-07-01

    The new compound Ag{sub 2}Mn{sub 3}(VO4){sub 3} was synthesized by hydrothermal and solid state reaction routes, and its crystal structure was determined from single-crystal X-ray diffraction data. Ag{sub 2}Mn{sub 3}(VO4){sub 3} crystallizes with a monoclinic symmetry, space group C2/c, with a=11.8968(11) Aa, b=13.2057(13) Aa, c=6.8132(7) Aa, β=111.3166(15) ( ) and V=997.16(17) Aa{sup 3} (Z=4). Its crystal refinement yielded the residual factors R(F)=0.0249 and wR(F{sup 2})=0.0704 for 95 parameters and 1029 independent reflections at a 3σ(I) level. Ag{sub 2}Mn{sub 3}(VO4){sub 3} can be considered as a new member of the AA{sup '}MM{sup '}{sub 2}(XO4){sub 3} alluaudite family. The specific arrangement of M and M{sup '} octahedral sites and of X tetrahedral sites gives rise to two different channels aligned along the crystallographic c-axis and containing the A and A{sup '} sites. The A, A{sup '}, M, and X sites are fully occupied by Ag{sup +}, Mn{sup 2+}, and V{sup 5+}, respectively; whereas a Mn{sup 2+}/Mn{sup 3+} mixture is observed in the M{sup '} site.

  6. Crystal chemistry of M{sup II}M′{sup IV}(PO{sub 4}){sub 2} double monophosphates

    Energy Technology Data Exchange (ETDEWEB)

    Bregiroux, Damien, E-mail: damien.bregiroux@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Collège de France, Laboratoire de Chimie de la Matière Condensée de Paris, 11 place Marcelin Berthelot, 75005 Paris (France); Popa, Karin [“Al.I. Cuza” University, Department of Chemistry, 11-Carol I Blvd., 700506 Iasi (Romania); Wallez, Gilles [Institut de Recherche de Chimie Paris (IRCP), CNRS – Chimie ParisTech – Paris Sciences et Lettres PSL UMR8247, 11 rue Pierre et Marie Curie, 75005 Paris (France); Sorbonne Universités, UPMC Univ Paris 06 (France)

    2015-10-15

    M{sup II}M′{sup IV}(PO{sub 4}){sub 2} compounds have been extensively studied for several decades for their potential applications in the field of several domains such as matrices for actinides conditioning, phosphors etc. In this paper, the relationships between composition and crystal structure of these compounds are established. A review of the various processes used for the synthesis of these compounds is also proposed, as well as their most reported properties. M{sup II}M′{sup IV}(PO{sub 4}){sub 2} structures stem from two different archetypes: the cheralite and the yavapaiite structures, with some exceptions that are also described in this article. The ratio of the cations radii appears to be the most relevant parameter. The high ratio between the ionic radii of the divalent and tetravalent cations in yavapaiite derivates results in the ordering of these cations into well-differentiated polyhedra whereas cheralite is the only non-ordered structure encountered for M{sup II}M′{sup IV}(PO{sub 4}){sub 2} compounds. - Graphical abstract: In this paper, the relationships between composition and crystal structure of M{sup II}M′{sup IV}(PO{sub 4}){sub 2} compounds are established. A review of the various processes used for the synthesis of these compounds is also proposed, as well as their most reported properties. - Highlights: • Crystal structure–composition relationships of MIIM′IV(PO4)2 compounds. • Review of the various processes used for the synthesis of these compounds. • Their most reported properties are described and discussed.

  7. Rigid'' skeleton dynamics of Li sub 3 In sub 2 (PO sub 4 ) sub 3 superionic conductor

    Energy Technology Data Exchange (ETDEWEB)

    Naganovsky, Y K; Sigaryov, S E [Inst. of Crystallography, Academy of Sciences, Moscow (USSR)

    1992-01-01

    The effect studied is made by the thermal prehistory of the Li{sub 3}In{sub 2}(PO{sub 4}){sub 3} ceramics on their structural and electrophysical characteristics. Annealing at T>1290 K is shown to result in a monoclinic (HT) and at T<1230 K, rhombohedral (LT) modifications of the crystal structure of Li{sub 3}In{sub 2}(PO{sub 4}){sub 3}. At the same temperature the ionic conductivity ({sigma}) of the HT-modification is found to be higher than that of LT-modification. Annealing of LT-ceramics at {proportional to}985 K leads to a decrease of {sigma} by as much as two order of magnitude seems due to Li{sup +}-ions redistribution in the (In{sub 2}P{sub 3}O{sub 12}){sub 3{infinity}}{sup 3-} skeleton cavities. In the 290-650 K temperature range phase transitions both in LT- and HT-Li{sub 3}In{sub 2}(PO{sub 4}){sub 3} are observed. (orig.).

  8. Improvement of optical properties and radiation hardness of NaBi(WO sub 4) sub 2 Cherenkov crystals

    CERN Document Server

    Zadneprovski, B I; Polyansky, E V; Devitsin, E G; Kozlov, V A; Potashov, S Yu; Terkulov, A R

    2002-01-01

    On the basis of the data on melt evaporation while growing NaBi(WO sub 4) sub 2 Cherenkov crystals, the formation of nonstoichiometry and most probable types of dot defects of the crystals have been considered. The influence of melt nonstoichiometry and doping with Sc on optical transmission and radiation hardness of the crystals has been experimentally investigated. The surplus of WO sub 3 has been established to increase optical transmission and radiation hardness and lack of Bi sub 2 O sub 3 in the melt to reduce radiation hardness. Sc doping is shifting the absorption edge to UV region by 30-35 nm and is increasing radiation hardness of the crystals about three-fold. Analytical estimations give the increase of the number of Cherenkov photons by a factor of 1.3, which leads to an improvement of the energy resolution of a calorimeter based on NaBi(WO sub 4) sub 2 :Sc crystals compared with undoped NaBi(WO sub 4) sub 2 of approximately 15%.

  9. Effect of trace elements (ZnSO/sub 4/, MnSO/sub 4//sub /and Al/sub 2/(SO/sub 4/)/sub 3/) on soil Ph, Zinc and manganese concentrations in case of mature teat bushes

    International Nuclear Information System (INIS)

    Nosheen, M.; Riaz, A.K.

    2005-01-01

    A field experiment was conducted to study the effect of trace elements on growth and yield of mature tea bushes, at National Tea Research Inst., Shinkiari, Mansehra, Pakistan, during 2003. The treatments included control (no fertilizer), recommended dose of NPK (432:111:74 kg ha/sup -1/ alone and NPK in combination with either two doses of (5.5 and 11 kg ha/sup -1/) ZnSO/sub 4/ or (2.0 and 4.0 kg ha/sup -1/)MnSO/sub 4/ or (0.225 and 0.45 kg ha/sup -1/) Al/sub 2/(SO/sub 4/)/sub 3/ to soil and one dose of each (11 kg ha/sup -1/) ZnSO/sub 4/, (4.0 kg ha/sup -1) MnSO/sub 4/ and (0.45 kg ha/sup -1/) Al/sub 2/(SO/sub 4/)/sub 3/ applied as spray solution. Treatments including soil application of NPK alone and NPK + either ZnSO/sub 4/, MnSO/sub 4/ or Al/sub 2/(SO/sub 4/)/sub 3/ significantly (P < 0.001) increased tea yield (fresh weight of three leaves + bud), shoot height and tissue Zn and Mn concentrations with significant interactions (T x t) on tissue Zn and Mn levels. As compared to control the yield increased by 7.0,30,.37,42,37 and 34% with NPK alone, NPK + 5.5, + 11.0 ZnSO/sub 4/, + 2.0, + 4.0 MnSO/sub 4/, + 0.225, + 0.45 kg ha/sup -1/ Al/sub 2/(SO/sub 4/)/sub 3/, respectively during fist three months while the yield of six months plucking showed similar response to treatments but was significantly lower than the first three months. Soil pH, Zn and Mn concentrations were significantly affected by treatments, time of sampling, and depth of sampling. Except ZnSO/sub 4/, lower doses of MnSO/sub 4/ (2.0 kg ha-l) and Al/sub 2/(SO/sub 4/)/sub 3/ (0.225 kg ha/sup -1/), were more effective as compared to their higher doses when applied to soil, regarding tea yield and shoot height. Foliar application of 11 kg ha-l ZnSO/sub 4/ significantly increased yield as compared to its both levels when applied to soil. It is concluded that MnSO/sub 4/ and Al/sub 2/(SO/sub 4/)/sub 3/ should be applied at the rate of 2.0 and 0.225 kg ha/sup -l/. (author)

  10. Density functional theory study of neutral and singly-charged (NaBH{sub 4}){sub n} (n = 1–6) nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yongpeng [State Key Laboratory of Organic–Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Wu, Xiangming [Ping Xiang Sports School, Jiangxi 337000 (China); Liu, Chuan [State Key Laboratory of Organic–Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Huang, Shiping, E-mail: huangsp@mail.buct.edu.cn [State Key Laboratory of Organic–Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China)

    2014-10-31

    Highlights: • Structures of (NaBH{sub 4}){sub n} (n = 1–6) clusters are optimized by DFT calculation. • The Kubas interaction is observed in each cationic cluster. • Hydrogen molecule interacts with attached boron atom by Kubas interaction. • Cationic NaBH{sub 4} nanoclusters exhibit more easily H{sub 2} desorption. - Abstract: We report the global minimum structures of (NaBH{sub 4}){sub n} (n = 1–6) clusters by combining the particle swarm optimization algorithm with density functional theory. A newly formed hydrogen molecule is observed in each cationic structure, and the H{sub 2} interacts with adjacent boron atom by Kubas interaction. The results of localized orbital locator and natural bond orbital analysis reveal that the hydrogen molecule interacts with attached boron atom by the σ-bond and σ{sup ∗}-antibond of H{sub 2} in [NaBH{sub 4}]{sub n}{sup +} (n = 1, 2, 3 and 5), and the σ{sup ∗}-antibond dominates this interaction in [NaBH{sub 4}]{sub 4}{sup +} and [NaBH{sub 4}]{sub 6}{sup +}. The desorption energy of the hydrogen molecule is relatively small for [NaBH{sub 4}]{sup +} (1.05 eV), [NaBH{sub 4}]{sub 2}{sup +} (0.99 eV) and [NaBH{sub 4}]{sub 3}{sup +} (0.97 eV). It is also found that the negative desorption energy of the [NaBH{sub 4}]{sub 4}{sup +} (−0.26 eV), [NaBH{sub 4}]{sub 5}{sup +} (−0.26 eV) and [NaBH{sub 4}]{sub 6}{sup +} (−0.54 eV) shows that the hydrogen molecule can be released easily.

  11. Improving the Kinetics and Thermodynamics of Mg(BH4sub>)2 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 MgB2/Mg(BH4sub>)2; (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 MgB2, which has generally been less explored and is key to enabling practical use.

  12. Apparent molar heat capacities and apparent molar volumes of Pr(ClO{sub 4}){sub 3}(aq), Gd(ClO{sub 4}){sub 3}(aq), Ho(ClO{sub 4}){sub 3}(aq), and Tm(ClO{sub 4}){sub 3}(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Hakin, Andrew W. E-mail: hakin@uleth.ca; Lian Liu, Jin; Erickson, Kristy; Munoz, Julie-Vanessa

    2004-09-01

    Acidified aqueous solutions of Pr(ClO{sub 4}){sub 3}(aq), Gd(ClO{sub 4}){sub 3}(aq), Ho(ClO{sub 4}){sub 3}(aq), and Tm(ClO{sub 4}){sub 3}(aq) were prepared from the corresponding oxides by dissolution in dilute perchloric acid. Once characterized with respect to trivalent metal cation and acid content, the relative densities of the solutions were measured at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa using a Sodev O2D vibrating tube densimeter. The relative massic heat capacities of the aqueous systems were also determined, under the same temperature and pressure conditions, using a Picker Flow Microcalorimeter. All measurements were made on solutions containing rare earth salt in the concentration range 0.01 {<=} m/(mol {center_dot} kg{sup -1}) {<=} 0.2. Relative densities and relative massic heat capacities were used to calculate the apparent molar volumes and apparent molar heat capacities of the acidified salt solutions from which the apparent molar properties of the aqueous salt solutions were extracted by the application of Young's Rule. The concentration dependences of the isothermal apparent molar volumes and heat capacities of each aqueous salt solution were modelled using Pitzer ion-interaction equations. These models produced estimates of apparent molar volumes and apparent molar heat capacities at infinite dilution for each set of isothermal V{sub phi,2} and C{sub pphi,2} values. In addition, the temperature and concentration dependences of the apparent molar volumes and apparent molar heat capacities of the aqueous rare earth perchlorate salt solutions were modelled using modified Pitzer ion-interaction equations. The latter equations utilized the Helgeson, Kirkham, and Flowers equations of state to model the temperature dependences (at p=0.1 MPa) of apparent molar volumes and apparent molar heat capacities at infinite dilution. The results of the latter models were compared to those previously published in the literature. Apparent

  13. Heterogeneous Nature of Relaxation Dynamics of Room-Temperature Ionic Liquids (EMIm)2[Co(NCS)4sub>] and (BMIm)2[Co(NCS)4sub>

    Energy Technology Data Exchange (ETDEWEB)

    Hensel-Bielowka, Stella [Univ. of Silesia, Katowice (Poland). Inst. of Chemistry; Wojnarowska, Zaneta [Univ. of Silesia, Katowice (Poland). Inst. of Physics; Univ. of Silesia, Chorzow (Poland). Silesian Center for Education and Interdisciplinary Research (SMCEBI); Dzida, Marzena [Univ. of Silesia, Katowice (Poland). Inst. of Chemistry; Zorębski, Edward [Univ. of Silesia, Katowice (Poland). Inst. of Chemistry; Zorębski, Michał [Univ. of Silesia, Katowice (Poland). Inst. of Chemistry; Geppert-Rybczyńska, Monika [Univ. of Silesia, Katowice (Poland). Inst. of Chemistry; Peppel, Tim [Leibniz Inst. for Catalysis, Rostock (Germany); Grzybowska, Katarzyna [Univ. of Silesia, Katowice (Poland). Inst. of Physics; Wang, Yangyang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences; Sokolov, Alexei P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry; Paluch, Marian [Univ. of Silesia, Katowice (Poland). Inst. of Physics; Univ. of Silesia, Chorzow (Poland). Silesian Center for Education and Interdisciplinary Research (SMCEBI)

    2015-08-11

    Dynamic crossover above Tg has been recognized as a characteristic feature of molecular dynamics of liquids approaching glass transition. Experimentally, it is manifested as a change in Vogel–Fulcher–Tammann dependence or a breakdown of the Stokes–Einstein and related relations. In this study, we report the exception from this rather general pattern of behavior. By means of dielectric, ultrasonic, rheological, and calorimetric methods, dynamics of two good ionic conductors (BMIm)2[Co(NCS)4sub>] and (EMIm)2[Co(NCS)4sub>] of less common stoichiometry (2:1) was studied in a very broad temperature range. However, none of the mentioned dynamic changes was observed in the entire studied temperature range. On the contrary, the single VFT and the same fractional Walden coefficient were found for conductivity and viscosity changes over 12 decades. Finally and moreover, ultrasonic studies revealed that the data at temperatures which cover the normal liquid region cannot be fitted by a single exponential decay, and the Cole–Cole function should be used instead.

  14. Kinetics of the Formation and Dissociation of Gas Hydrates from CO2-CH4sub> Mixtures

    Directory of Open Access Journals (Sweden)

    Devinder Mahajan

    2012-07-01

    Full Text Available Sequestration of carbon dioxide (CO2 in the form of its hydrates in natural methane (CH4sub> hydrate reservoirs, via CO2/CH4sub> exchange, is an attractive pathway that also yields valuable CH4sub> gas as product. In this paper, we describe a macroscale experiment to form CO2 and CH4sub>-CO2 hydrates, under seafloor-mimic conditions, in a vessel fitted with glass windows that provides visualization of hydrates throughout formation and dissociation processes. Time resolved pressure and temperature data as well as images of hydrates are presented. Quantitative gas conversions with pure CO2, calculated from gas chromatographic measurements yielded values that range from 23 – 59% that correspond to the extent of formed hydrates. In CH4sub>-rich CH4sub>-CO2 mixed gas systems, CH4sub> hydrates were found to form preferentially.

  15. Unidirectional spin density wave state in metallic (Sr1-xLax)2IrO4sub>

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xiang; Schmehr, Julian L.; Islam, Zahirul; Porter, Zach; Zoghlin, Eli; Finkelstein, Kenneth; Ruff, Jacob P. C.; Wilson, Stephen D.

    2018-01-09

    Materials that exhibit both strong spin–orbit coupling and electron correlation effects are predicted to host numerous new electronic states. One prominent example is the Jeff = 1/2 Mott state in Sr2IrO4sub>, where introducing carriers is predicted to manifest high temperature superconductivity analogous to the S=1/2 Mott state of La2CuO4sub>. While bulk super- conductivity currently remains elusive, anomalous quasiparticle behaviors paralleling those in the cuprates such as pseudogap formation and the formation of a d-wave gap are observed upon electron-doping Sr2IrO4sub>. Here we establish a magnetic parallel between electron-doped Sr2IrO4sub> and hole-doped La2CuO4sub> by unveiling a spin density wave state in electron-doped Sr2IrO4sub>. Our magnetic resonant X-ray scattering data reveal the presence of an incom- mensurate magnetic state reminiscent of the diagonal spin density wave state observed in the monolayer cuprate (La1-xSrx)2CuO4sub>. This link supports the conjecture that the quenched Mott phases in electron-doped Sr2IrO4sub> and hole-doped La2CuO4sub> support common competing electronic phases.

  16. A neutron scattering study of the quasi-one-dimensional conductor (TaSe{sub 4}){sub 2}I

    Energy Technology Data Exchange (ETDEWEB)

    Lorenzo, J.E.; Currat, R. [Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9 (France); Monceau, P. [Centre de Recherches sur les Tres Basses Temperatures, associe a l' Universite Joseph Fourier, CNRS, BP 166, 38042 Grenoble Cedex 9 (France); Hennion, B. [Laboratoire Leon Brillouin, Centre d' Etudes de Saclay, 91191 Gif-sur-Yvette Cedex (France); Berger, H.; Levy, F. [Institut de Physique Appliquee, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland)

    1998-06-15

    The Peierls phase transition in the quasi-one-dimensional conductor (TaSe{sub 4}){sub 2}I is investigated by means of elastic and inelastic neutron scattering. The effective critical exponent {beta}, extracted from the temperature dependence of the integrated intensity from the CDW satellite reflections, is anomalously low, suggesting that the phase transition may be of first order. The intensity distribution among symmetry-related satellite reflections indicates a domain structure with slowly fluctuating domain populations. Correlation lengths associated with the diverging 'central peak' are determined and are found to be nearly isotropic, at variance with results obtained on other quasi-one-dimensional compounds, such as platinum chains (KCP) or blue bronze, K{sub 0.3}MoO{sub 3}. Doping with 1.2% Nb has a severe effect on the modulated state. The low-temperature satellites are replaced by a diffuse scattering distribution elongated along c*. The absence of a phonon soft mode and the presence of a diverging central peak at the phase transition is interpreted within the framework of strong electron-phonon coupling. Finally, we propose a Ginzburg-Landau phenomenological model, where the interplay between the electronically coupled optical-like order parameter (Ta-atom tetramerization along the chain axis) and the elastic deformations lies at the origin of the phase transition in (TaSe{sub 4}){sub 2}I. (author)

  17. Room temperature photoinduced magnetism in [py.H]{sub 3}[FeCl{sub 4}]{sub 2}Cl

    Energy Technology Data Exchange (ETDEWEB)

    Baniasadi, F. [Physics Department, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Tehranchi, M.M., E-mail: teranchi@sbu.ac.ir [Physics Department, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Fathi, M.B. [Physics Department, Kharazmi University, Tehran (Iran, Islamic Republic of); Hamidi, S.M. [Laser and Plasma Research Institute, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Safari, N.; Amani, V. [Faculty of Chemistry, Shahid Beheshti University, Tehran (Iran, Islamic Republic of)

    2015-11-15

    Photoinduced magnetism in a homogeneous solution of [py.H]{sub 3}[FeCl{sub 4}]{sub 2}Cl is measured by Faraday rotation in visible light (λ∼450–750 nm) at room temperature. The physics of this phenomenon may be attributed to electronic transitions caused by absorption of light. X-ray diffraction and Debye function analysis are therefore applied to find the abundant unit of molecules dissolved in the solution which are being further utilized to investigate the electronic structure and molecular orbitals by means of hybrid density function theory (B3LYP). Faraday rotation is observed at certain wavelengths consistent with energy differences of HOMO-LUMO energy levels. Thus this work puts forward a new material with certain photomagnetic properties which may be used in fabrication of room temperature magneto-optical switches. - Highlights: • Photoinduced magnetism in (FeCl{sub 4}){sub 2}(py.H){sub 3}Cl is illustrated via Faraday rotation. • The abundant unit of molecule is characterized by Debye function analysis of XRD. • PIM in the molecule is attributed to the charge transfer between HOMO-LUMO.

  18. Structure and Dynamics Investigations of Sr/Ca-Doped LaPO4sub> Proton Conductors

    Energy Technology Data Exchange (ETDEWEB)

    al-Wahish, Amal [Univ. of Missouri, Columbia, MO (United States). Research Reactor; al-Binni, U. [Univ. of Washington, Seattle, WA (United States). Dept. of Physics and Astronomy; Tetard, L. [Univ. of Central Florida, Orlando, FL (United States). NanoScience Technology Center; Bridges, Craig A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Kharel, Krishna [Lamar Univ., Beaumont, TX (United States). Dept. of Chemistry and Biochemistry; Günaydın-Şen, Özge [Lamar Univ., Beaumont, TX (United States). Dept. of Chemistry and Biochemistry; Huq, A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division; Musfeldt, J. L. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Paranthaman, M. P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Mandrus, D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering

    2017-05-15

    Proton conductors loom out of the pool of candidate materials with great potential to boost hydrogen alternatives to fossil-based resources for energy. Acceptor doped lanthanum orthophosphates are considered for solid oxide fuel cells (SOFCs) for their potential stability and conductivity at high temperature. By exploring the crystal and defect structure of x% Sr/Ca-doped LaPO4sub> with different nominal Sr/Ca concentrations (x = 0 – 10) with Neutron powder diffraction (NPD) and X-ray powder diffraction (XRD), we confirm that Sr/Ca-doped LaPO4sub> can exist as self-supported structures at high temperatures during solid oxide fuel cell operation. Thermal stability, surface topography, size distribution are also studied to better understand the proton conductivity for dry and wet compounds obtained at sintering temperatures ranging from 1200 to 1400 °C using a combination of scanning electron microscopy (SEM), Atomic Force Microscopy (AFM), Fourier transform infrared spectroscopy (FTIR) and electrochemical impedance spectroscopy (EIS). In conclusion, the results suggest that Sr doped samples exhibit the highest proton conductivity of our samples and illustrate the impact of material design and versatile characterization schemes on the development of proton conductors with superior functionality.

  19. Mg{sub x}Mn{sub (1-x)}(BH{sub 4}){sub 2} (x = 0-0.8), a cation solid solution in a bimetallic borohydride

    Energy Technology Data Exchange (ETDEWEB)

    Cerny, Radovan, E-mail: radovan.cerny@unige.ch [Laboratory of Crystallography, University of Geneva, 1211 Geneva (Switzerland); Penin, Nicolas [Laboratory of Crystallography, University of Geneva, 1211 Geneva (Switzerland); CNRS, Universite de Bordeaux 1, ICMCB, 87 Avenue du Docteur Albert Schweitzer, F-33608 Pessac Cedex (France); D' Anna, Vincenza; Hagemann, Hans [Department of Physical Chemistry, University of Geneva, 1211 Geneva (Switzerland); Durand, Etienne [CNRS, Universite de Bordeaux 1, ICMCB, 87 Avenue du Docteur Albert Schweitzer, F-33608 Pessac Cedex (France); Ruzicka, Jakub [Charles University, Faculty of Science, Department of Inorganic Chemistry, Hlavova 2030, 128 40, Prague 2 (Czech Republic)

    2011-08-15

    Highlights: {yields} The magnesium and manganese borohydrides form a solid solution Mg{sub x}Mn{sub (1-x)}(BH{sub 4}){sub 2} (x = 0-0.8) which conserves the trigonal structure of Mn{sub (}(BH{sub 4}){sub 2}. {yields} Coexistence of both trigonal and hexagonal borohydrides occurs within nominal composition ranging from x{sub Mg} = 0.8-0.9. {yields} The decomposition temperature of trigonal Mg{sub x}Mn{sub (1-x)}(BH{sub 4}){sub 2} (x = 0-0.8) does not vary significantly with magnesium content (433-453 K). {yields} The desorbed gas contains mostly hydrogen and 3-7.5 mol.% of diborane B{sub 2}H{sub 6}. - Abstract: A solid solution of magnesium and manganese borohydrides was studied by in situ synchrotron radiation X-ray powder diffraction and infrared spectroscopy. A combination of thermogravimetry, mass and infrared spectroscopy, and atomic emission spectroscopy were applied to clarify the thermal gas desorption of pure Mn(BH{sub 4}){sub 2} and a solid solution of composition Mg{sub 0.5}Mn{sub 0.5}(BH{sub 4}){sub 2}. Mg{sub x}Mn{sub (1-x)}(BH{sub 4}){sub 2} (x = 0-0.8) conserves the trigonal structure of Mn(BH{sub 4}){sub 2} at room temperature. Manganese is dissolved in the hexagonal structure of {alpha}-Mg(BH{sub 4}){sub 2}, with the upper solubility limit not exceeding 10 mol.% at room temperature. There exists a two-phase region of trigonal and hexagonal borohydrides within the compositional range x = 0.8-0.9 at room temperature. Infrared spectra show splitting of various vibrational modes, indicating the presence of two cations in the trigonal Mg{sub x}Mn{sub (1-x)}(BH{sub 4}){sub 2} solid solutions, as well as the appearance of a second phase, hexagonal {alpha}-Mg(BH{sub 4}){sub 2}, at higher magnesium contents. All vibrational frequencies are shifted to higher values with increasing magnesium content. The decomposition temperature of the trigonal Mg{sub x}Mn{sub (1-x)}(BH{sub 4}){sub 2} (x = 0-0.8) does not vary significantly as a function of the magnesium

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-15

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

  1. Syntheses, crystal structures and photoluminescence properties of two rare-earth molybdates CsLn(MoO{sub 4}){sub 2} (Ln=Eu, Tb)

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Dan; Ma, Fa-Xue; Liu, Bao-Zhong; Fan, Yun-Chang; Han, Xue-Feng; Zhang, Lei; Nie, Cong-Kui [Henan Polytechnic Univ. (China). College of Chemistry and Chemical Engineering

    2018-04-01

    Single crystals of two cesium rare-earth molybdates CsLn(MoO{sub 4}){sub 2} (Ln=Eu, Tb) have been prepared using the high temperature molten salt (flux) method. Single-crystal X-ray diffraction analyses reveal that they crystallize in the orthorhombic space group Pccm (No. 49) and features a 2D layer structure that is composed of [Ln(MoO{sub 4}){sub 2}]{sub ∞} and [Cs]{sub ∞} layers. Under near-UV light excitation, emission spectrum of CsEu(MoO{sub 4}){sub 2} consists of several sharp lines due to the characteristic electronic transitions of Eu{sup 3+} ions, whereas CsTb(MoO{sub 4}){sub 2} exhibits characteristic green emission of Tb{sup 3+} ions.

  2. 3D Fe{sub 2}(MoO{sub 4}){sub 3} microspheres with nanosheet constituents as high-capacity anode materials for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Hao; Wang, Shiqiang [Hubei University, Key Laboratory for Synthesis and Applications of Organic Functional Molecules (China); Wang, Jiazhao; Wang, Jun [University of Wollongong, Institute for Superconducting and Electronic Materials (Australia); Li, Lin; Yang, Yun; Feng, Chuanqi, E-mail: cfeng@hubu.edu.cn [Hubei University, Key Laboratory for Synthesis and Applications of Organic Functional Molecules (China); Sun, Ziqi, E-mail: ziqi.sun@qut.edu.au [Queensland University of Technology, School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty (Australia)

    2015-11-15

    Three-dimensional (3D) Fe{sub 2}(MoO{sub 4}){sub 3} microspheres with ultrathin nanosheet constituents are first synthesized as anode materials for the lithium-ion battery. It is interesting that the single-crystalline nanosheets allow rapid electron/ion transport on the inside, and the high porosity ensures fast diffusion of liquid electrolyte in energy storage applications. The electrochemical properties of Fe{sub 2}(MoO{sub 4}){sub 3} as anode demonstrates that 3D Fe{sub 2}(MoO{sub 4}){sub 3} microspheres deliver an initial capacity of 1855 mAh/g at a current density of 100 mA/g. Particularly, when the current density is increased to 800 mA/g, the reversible capacity of Fe{sub 2}(MoO{sub 4}){sub 3} anode still arrived at 456 mAh/g over 50 cycles. The large and reversible capacities and stable charge–discharge cycling performance indicate that Fe{sub 2}(MoO{sub 4}){sub 3} is a promising anode material for lithium battery applications.Graphical abstractThe electrochemical properties of Fe{sub 2}(MoO{sub 4}){sub 3} as anode demonstrates that 3D Fe{sub 2}(MoO{sub 4}){sub 3} microspheres delivered an initial capacity of 1855 mAh/g at a current density of 100 mA/g. When the current density was increased to 800 mA/g, the Fe{sub 2}(MoO{sub 4}){sub 3} still behaved high reversible capacity and good cycle performance.

  3. Effects of helical GNF on improving the dehydrogenation behavior of LiMg(AlH{sub 4}){sub 3} and LiAlH{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Leo Hudson, M. Sterlin; Raghubanshi, Himanshu; Pukazhselvan, D.; Srivastava, O.N. [Hydrogen Energy Center, Department of Physics, Banaras Hindu University, Varanasi-221005 (India)

    2010-03-15

    The present paper reports the effect of graphitic nanofibres (GNFs) for improving the desorption kinetics of LiMg(AlH{sub 4}){sub 3} and LiAlH{sub 4}. LiMg(AlH{sub 4}){sub 3} has been synthesized by mechano-chemical metathesis reaction involving LiAlH{sub 4} and MgCl{sub 2}. The enhancement in dehydrogenation characteristics of LiMg(AlH{sub 4}){sub 3} has been shown to be higher when graphitic nanofibres (GNFs) were used as catalyst. Out of two different types of nanofibres namely planar graphitic nanofibre (PGNF) and helical graphitic nanofibre (HGNF), the latter has been found to act as better catalyst. We observed that helical morphology of fibres improves the desorption kinetics and decreases the desorption temperature of both LiMg(AlH{sub 4}){sub 3} and LiAlH{sub 4}. The desorption temperature for 8 mol% HGNF admixed LiAlH{sub 4} gets lowered from 159 C to 128 C with significantly faster kinetics. In 8 mol% HGNF admixed LiMg(AlH{sub 4}){sub 3} sample, the desorption temperature gets lowered from 105 C to {proportional_to}70 C. The activation energy calculated for the first step decomposition of LiAlH{sub 4} admixed with 8 mol% HGNF is {proportional_to}68 kJ/mol, where as that for pristine LiAlH{sub 4} it is 107 kJ/mol. The activation energy calculated for as synthesized LiMg(AlH{sub 4}){sub 3} is {proportional_to}66 kJ/mol. Since the first step decomposition of LiMg(AlH{sub 4}){sub 3} occurs during GNF admixing, the activation energy for initial step decomposition of GNF admixed LiMg(AlH{sub 4}){sub 3} could not be estimated. (author)

  4. NNLO O({alpha}{sup 4}{sub s}) results for heavy quark pair production in quark-antiquark collisions. The one-loop squared contributions

    Energy Technology Data Exchange (ETDEWEB)

    Koerner, J.G. [Mainz Univ. (Germany). Inst. fuer Physik; Merebashvili, Z. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Rogal, M. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

    2008-02-15

    We calculate the NNLO O({alpha}{sup 4}{sub s}) one-loop squared corrections to the production of heavy quark pairs in quark-antiquark annihilations. These are part of the NNLO O({alpha}{sup 4}{sub s}) radiative QCD corrections to this process. Our results, with the full mass dependence retained, are presented in a closed and very compact form, in the dimensional regularization scheme. We find very intriguing factorization properties for the finite part of the amplitudes. (orig.)

  5. Effects of the virtual particle number on the S matrix of the (phi4)/sub 1+1/ model

    International Nuclear Information System (INIS)

    Kroeger, H.; Girard, R.; Dufour, G.

    1987-01-01

    We present results of the S matrix in the (phi 4 )/sub 1 + 1/ model obtained by a nonperturbative calculation using a momentum-space discretization technique. First, we calculate the two-body S matrix in the strong-coupling regime (up to λ/sub eff/ = 3), with the restriction of taking into account only two-body virtual particle states. We find agreement with standard perturbation theory obtained by summing up the corresponding graphs to infinite order. We also estimate the effect of mass renormalization. Second, we investigate the effect of including higher virtual particle numbers in two-particle scattering in the cases λ/sub eff/ = (1/6) and λ/sub eff/ = 1. In both cases we find convergence of the S matrix with respect to increasing the virtual-particle-number cutoff

  6. Growth of anodic films on compound semiconductor electrodes: InP in aqueous (NH sub 4) sub 2 S

    CERN Document Server

    Buckley, D N

    2002-01-01

    Film formation on compound semiconductors under anodic conditions is discussed. The surface properties of InP electrodes were examined following anodization in a (NH sub 4) sub 2 S electrolyte. The observation of a current peak in the cyclic voltammetric curve was attributed to selective etching of the substrate and a film formation process. AFM images of samples anodized in the sulfide solution revealed surface pitting. Thicker films formed at higher potentials exhibited extensive cracking as observed by optical and electron microscopy, and this was explicitly demonstrated to occur ex situ rather than during the electrochemical treatment. The composition of the thick film was identified as In sub 2 S sub 3 by EDX and XPS. The measured film thickness varies linearly with the charge passed, and comparison between experimental thickness measurements and theoretical estimates for the thickness indicate a porosity of over 70 %. Cracking is attributed to shrinkage during drying of the highly porous film and does n...

  7. Spectroscopic properties of Eu{sup 3+}:KLa(WO{sub 4}){sub 2} novel red phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Rasu, K. Kavi; Balaji, D.; Babu, S. Moorthy, E-mail: babusm@yahoo.com

    2016-02-15

    Eu{sup 3+}:KLa(WO{sub 4}){sub 2} (Eu:KLW) phosphors were prepared through Pechini type sol–gel method. Low temperature synthesis was achieved through polyesterification between citric acid and ethylene glycol during the growth procedure. The properties of phosphors were analysed using X-ray diffractogram (XRD), scanning electron microscopy (SEM), Raman and luminescence spectroscopy. An effective energy transfer from the tungstate matrix to the activator Eu{sup 3+} was observed. Intense red emission in Eu:KLW phosphors was observed while excited with f–f transitions of Eu{sup 3+}. The Judd–Ofelt (J–O) intensity parameters Ω{sub 2} and Ω{sub 4} were obtained from the emission intensities of {sup 5}D{sub 0}→{sup 7}F{sub 2},{sub 4,} respectively by taking the magnetic dipole {sup 5}D{sub 0}→{sup 7}F{sub 1} emission band intensity as reference. The CIE colour co-ordinates of the Eu:KLW red phosphors was calculated (x=0.650, y=0.348), which are close to NTSC standard values. - Highlights: • Eu:KLW phosphors were synthesized by pechini type sol–gel method. • Structural, morphological, vibrational and luminescence properties were well investigation. • Eu{sup 3+}:KLa(WO{sub 4}){sub 2} phosphors has strong red emission at about 615 nm ({sup 5}D{sub 0}→{sup 7}F{sub 2}) under the excitation of near UV and blue LEDs regions. • Decay measurement and Judd–Ofelt parameter were calculated and dicussed. • These phosphors can serve as a potential candidate for red source for White LEDs application.

  8. Facile one-step hydrothermal synthesis and luminescence properties of Eu{sup 3+}-doped NaGd(WO{sub 4}){sub 2} nanophosphors

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Zehan; Cai, Peiqing; Chen, Cuili; Pu, Xipeng; Kim, Sun Il, E-mail: sikim@pknu.ac.kr; Jin Seo, Hyo, E-mail: hjseo@pknu.ac.kr

    2017-06-01

    Eu{sup 3+}-doped NaGd(WO{sub 4}){sub 2} nanophosphors were synthesized via a facile one-step hydrothermal method without any surfactants or a further heat treatment. X-ray powder diffraction (XRD), scanning electron microscope (SEM), fourier transform infrared spectroscopy (FT-IR), the photoluminescence (PL) excitation and emission spectra, and decay curves were used to characterize NaGd(WO{sub 4}){sub 2}:Eu{sup 3+} phosphors. The results show that the Eu{sup 3+}-concentration has little influence on the structure and morphology of the as-synthesized samples. However, pH value plays a vital role on the structure and morphology of NaGd(WO{sub 4}){sub 2}. The well-crystallized sheet-like NaGd(WO{sub 4}){sub 2} phosphors can be obtained only at pH = 5–7. On the basis of the time-dependent synthesis, a possible growth mechanism of sheet-like architectures is proposed. The luminescence properties of NaGd{sub 1-x}Eu{sub x}(WO{sub 4}){sub 2} (0 ≤ x ≤ 1) are investigated. It is found that the charge transfer band of Eu{sup 3+} shifts to lower energy and broadens with increasing the Eu{sup 3+}-concentration. - Highlights: • NaGd(WO{sub 4}){sub 2}:Eu{sup 3+} nanosheets were synthesized by facile one-step hydrothermal method. • Luminescence properties of NaGd(WO{sub 4}){sub 2}:Eu{sup 3+} phosphor were firstly reported. • The CT band of Eu{sup 3+} depends strongly on Eu{sup 3+}-concentrations.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-05-15

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

  10. Ph effect on tricalcium phosphate (Ca{sub 3}(PO{sub 4}){sub 2}) thermoluminescence; Efecto del pH en la termoluminescencia de fosfato tricalcico (Ca{sub 3}(PO{sub 4}){sub 2})

    Energy Technology Data Exchange (ETDEWEB)

    Barrera V, A.; Zarate M, J.; Lemus R, J. [Universidad Michoacaca de San Nicolas de Hidalgo, Instituto de Investigacion en Metalurgia y Materiales, Ciudad Universitaria, Edif. U, 58060 Morelia, Michoacan (Mexico); Sanchez, A. [IPN, Escuela Superior de Fisica y Matematicas, Av. IPN s/n, Edificio 9, 07738 Mexico D. F. (Mexico); Rivera M, T., E-mail: antonibar.v@gmail.com [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Av. Legaria 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico)

    2015-10-15

    The study of the ph effect is presented on thermoluminescent response of calcium phosphates synthesized by precipitation process. For the synthesis by precipitation, were used: calcium nitrate (Ca(NO{sub 3}){sub 2} and ammonium phosphate dibasic ((NH{sub 4}){sub 2}HPO{sub 4}) as precursors. Samples were obtained at ph 7, 8, 9 and 10 and subjected to a calcination s temperature of 1100 C. Samples were also irradiated with X rays of 6 MV to a dose of 2 Gy. Samples prior to irradiation showed no luminescence, the irradiated samples displayed a luminescent curve which is due to the X-ray response. Powders synthesized at ph 7 showed a well-defined peak centered at 267 grades C. The rest of the prepared samples showed a luminescent curve composed of several peaks. By analyzing the curve at ph 7 by the method of the shape of the curve, was found to have an order of 1.7, with an activation energy, E = 1.44 ± 0.04 eV. (Author)

  11. Uncommon potential hysteresis in the Li/Li{sub 2x}VO(H{sub 2-x}PO{sub 4}){sub 2} (0 {<=} x {<=} 2) system

    Energy Technology Data Exchange (ETDEWEB)

    Dubarry, M. [Institut des Materiaux Jean Rouxel, 2 rue de la Houssiniere, BP32229, 44322 Nantes Cedex 3 (France); Gaubicher, J. [Institut des Materiaux Jean Rouxel, 2 rue de la Houssiniere, BP32229, 44322 Nantes Cedex 3 (France)], E-mail: joel.gaubicher@cnrs-imn.fr; Guyomard, D. [Institut des Materiaux Jean Rouxel, 2 rue de la Houssiniere, BP32229, 44322 Nantes Cedex 3 (France); Wallez, G.; Quarton, M. [Laboratoire de Cristallochimie du Solide, Universite Pierre et Marie Curie-Paris VI, 4 place Jussieu, 75252 Paris Cedex 05 (France); Baehtz, C. [Deutsches Elektronen Synchrotron HASYLAB, Notkestr. 85, 22607 Hamburg (Germany)

    2008-05-20

    Physical and electrochemical investigations of vanadium phosphates, Li{sub 2x}VO(H{sub 2-x}PO{sub 4}){sub 2} (0 < x < 2), have been undertaken. H{sup +}/Li{sup +} ionic exchange from VO(H{sub 2}PO{sub 4}){sub 2} to Li{sub 2}VO(HPO{sub 4}){sub 2} leads to grain decrepitation. Further ionic exchange toward formation of Li{sub 4}VO(PO{sub 4}){sub 2} lowers the symmetry. As inferred from potentiodynamic cycling correlated to ex situ and in situ X-ray diffraction (XRD), the system Li/Li{sub 4}VO(PO{sub 4}){sub 2} shows several phase transformations that are associated with thermodynamical potential hysteresis that span from roughly 15 mV to more than 1.8 V. Small hysteresis are associated with topotactic reactions and with V{sup V}/V{sup IV} and V{sup III}/V{sup II} redox couples. Large potential hysteresis values (>1 V) were observed when oxidation of V{sup III} to V{sup IV} is involved.

  12. Tunable luminescence properties and energy transfer in Ba{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+},Tb{sup 3+} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Cheng [Department of Physics and Electronic Engineering, Baoding University, Baoding 071002 (China); Ma, Hengxin [College of Science, Agricultural University of Hebei, Baoding 071002 (China); Liu, Yufeng, E-mail: liuyufeng4@126.com [State Key Lab of Power Systems, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Liu, Qingbo [Department of Physics and Electronic Engineering, Baoding University, Baoding 071002 (China); Dong, Guoyi [College of Physics Science and Technology, Hebei University, Baoding 071002 (China); Yu, Quanmao [Institute of Functional Materials, Jiangxi University of Finance and Economics, Nanchang 330013 (China)

    2014-11-15

    Highlights: • Effective energy transfer from Ce{sup 3+} to Tb{sup 3+} in Ba{sub 3}Lu(PO{sub 4}){sub 3} was confirmed. • The reason of energy transfer from Ce{sup 3+} to Tb{sup 3+} was investigated in detail. • Ba{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} can be a potential green-emitting phosphor for UV LEDs. - Abstract: A series of novel color-tunable phosphors Ba{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+},Tb{sup 3+} have been synthesized by solid-state reaction. X-ray diffraction, photoluminescence emission and excitation spectra, lifetime, as well as the effect of Tb{sup 3+} concentration were employed to characterize the resulting samples. The emission spectra of Ba{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+},Tb{sup 3+} phosphor contains both the asymmetric broad-band Ce{sup 3+} ion emission and the line-type Tb{sup 3+} ion emission. Under ultraviolet light excitation, Ba{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+},Tb{sup 3+} can achieve tunable emission from deep blue to yellowish-green by changing the concentration of Tb{sup 3+}. The results indicated that these phosphors could be considered as double emission phosphors for field emission displays.

  13. Electrochemical formation of GaAs honeycomb structure using a fluoride-containing (NH{sub 4}){sub 2}SO{sub 4} solution

    Energy Technology Data Exchange (ETDEWEB)

    Morishita, Yoshitaka, E-mail: morisita@cc.tuat.ac.jp; Yamamoto, Hitoshi; Yokobori, Kuniyuki

    2014-04-01

    GaAs substrates were anodized in the (NH{sub 4}){sub 2}SO{sub 4} electrolyte with various fluoride concentrations. Scanning electron microscope (SEM) observation showed that highly regular honeycomb hollows were formed on the substrates anodized in the (NH{sub 4}){sub 2}SO{sub 4} electrolyte with a small amount of HF concentration. The regularity of hollows decreased with the increase of HF concentration. The average diameter of hollows increased with increasing anodizing voltage. The regularity of hollow diameters increased with the increase of anodizing time, irrespective of the anodizing voltage. Cross-sectional SEM image showed that the average depth of regular hollows was about 5 nm. In addition to the peak in the region of fundamental adsorption of GaAs with the peak wavelength at about 870 nm, photoluminescence spectra of samples anodized in the (NH{sub 4}){sub 2}SO{sub 4} electrolyte with HF concentration of 0.5 ml showed several peaks at about 610, 635, 670 and 720 nm. - Highlights: • We report on the electrochemical formation of GaAs honeycomb structure. • High regular hollows were formed by anodization in HF-containing (NH{sub 4}){sub 2}SO{sub 4} solution. • A thin porous layer was formed by anodization in HF-containing (NH{sub 4}){sub 2}SO{sub 4} solution. • This process is useful for preparing patterned substrate with a thin porous layer.

  14. Ionic liquid-assisted hydrothermal synthesis of dendrite-like NaY(MoO{sub 4}){sub 2}:Tb{sup 3+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Tian Yue [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Chen Baojiu, E-mail: chenmbj@sohu.com [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Tian Bining [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Sun Jiashi; Li Xiangping; Zhang Jinsu; Cheng Lihong; Zhong Haiyang; Zhong Hua [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Meng Qingyu [School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025 (China); Hua Ruinian, E-mail: rnhua@dlnu.edu.cn [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China)

    2012-07-01

    Micro-sized NaY(MoO{sub 4}){sub 2}:Tb{sup 3+} phosphors with dendritic morphology was synthesized by a ionic liquid-assisted hydrothermal process. X-ray diffraction (XRD) indicated that the as-prepared product is pure tetragonal phase of NaY(MoO{sub 4}){sub 2}. Field emission scanning electron microscopy (FE-SEM) images showed that the as-prepared NaY(MoO{sub 4}){sub 2}:Tb{sup 3+} phosphors have dendritic morphology. The photoluminescent (PL) spectra displayed that the as-prepared NaY(MoO{sub 4}){sub 2}:Tb{sup 3+} phosphors show a stronger green emission with main emission wavelength 545 nm corresponding to the {sup 5}D{sub 4}{yields}{sup 7}F{sub 5} transition of Tb{sup 3+} ion, and the optimal Tb{sup 3+} doping concentration for obtaining maximum emission intensity was confirmed to be 10 mol%. Based on Van Uitert's and Dexter's models the electric dipole-dipole (D-D) interaction was confirmed to be responsible for the concentration quenching of {sup 5}D{sub 4} fluorescence of Tb{sup 3+} in the NaY(MoO{sub 4}){sub 2}:Tb{sup 3+} phosphors. The intrinsic radiative transition lifetime of {sup 5}D{sub 4} level is found to be 0.703 ms.

  15. Thermoluminescence of Zn{sub 3}(PO{sub 4}){sub 2}:Mn{sup 2+} exposed to β radiation

    Energy Technology Data Exchange (ETDEWEB)

    Perez S, R.; Aceves, R.; Piters D, T.; Rodriguez M, R. [Universidad de Sonora, Departamento de Investigacion en Fisica, Hermosillo, Sonora (Mexico); Camarillo, I. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico); Camarillo, E., E-mail: rperez@cifus.uson.mx [UNAM, Instituto de Fisica, Cicuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico)

    2015-10-15

    The thermoluminescence (Tl) response and trapping analysis of Zn{sub 3}(PO{sub 4}){sub 2}:Mn{sup 2+} glass at room temperature after being exposed to a dose of β-irradiation is reported. The material shows a linear behavior for doses lower than 25 Gy. Measurements indicate that Tl glow curves are composed by several glow peaks. In order to verify this observation, partial heating technique has been applied. The result was the detection of at least four glow peaks located about 124, 199, 240, and 290 degrees C. The complete Tl glow curve shows a higher intensity at temperatures near 200 degrees C, which reduce possibilities of fading. A residual Tl analysis for different waiting times in the measurement of Tl indicate that low decay luminescent centers exist which correspond mainly to the first Tl glow peak. According with the result found, this type of material has potential to be used as β-irradiation dosemeter in different applications. (Author)

  16. Short-wavelength luminescence in Ho{sup 3+}-doped KGd(WO{sub 4}){sub 2} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Malinowski, M., E-mail: m.malinowski@elka.pw.edu.p [Institute of Microelectronics and Optoelectronics, Koszykowa 75, 00-662 Warsaw (Poland); Kaczkan, M.; Stopinski, S.; Piramidowicz, R. [Institute of Microelectronics and Optoelectronics, Koszykowa 75, 00-662 Warsaw (Poland); Majchrowski, A. [Institute of Applied Physics, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland)

    2009-12-15

    Emissions from the high-lying excited states, energy transfer and upconversion processes are investigated in Ho{sup 3+}-activated KGd(WO{sub 4}){sub 2} crystal. The spectral assignment based on time-resolved emission spectra allowed to identify various near ultra-violet (UV), blue and green emissions starting from the excited {sup 3}H{sub 5}, {sup 5}G{sub 4}, {sup 5}G{sub 5}, {sup 5}F{sub 3} and {sup 5}S{sub 2} levels. The temporal behavior of these transitions after pulsed excitation was analyzed as a function of temperature and holmium ions concentration. The shortening and nonexponentiality of the decays, observed with increasing activator concentrations, indicated cross-relaxation (CR) among the Ho{sup 3+} ions. Cross-relaxation rates were experimentally determined as a function of activator concentration and used to evaluate the values of the nearest-neighbor trapping rates X{sub 01} and to model the decays. It was observed that KGW, despite higher than in YAG maximum phonon energy of about 900 cm{sup -1}, is more efficient short-wavelength emitter than YAG. Examples of the excited-state absorption (ESA) and energy transfer (ET) mechanisms responsible for the upconverted, short-wavelength emissions were identified by analyzing fluorescence dynamics and possible energy resonances.

  17. Structures and luminescent properties of single-phase La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Qingfeng; Liao, Libing, E-mail: clayl@cugb.edu.cn; Mei, Lefu, E-mail: mlf@cugb.edu.cn; Liu, Haikun

    2016-04-15

    A series of blue-emitting La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} (x= 0, 1, 2, and 3) phosphors with apatite structure were synthesized by a solid-state reaction. The crystal structure and the photoluminescence properties were investigated in detail. The crystallographic occupancy of Ce{sup 3+} in La{sub 2.90}Ce{sub 0.10}Ba{sub 7}(SiO{sub 4}){sub 3}(PO{sub 4}){sub 3}F{sub 2} and La{sub 5.90}Ce{sub 0.10}Ba{sub 4}(SiO{sub 4}){sub 6}F{sub 2} were studied based on Rietveld refinements results and the crystal chemistry rules. La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} exhibited strong blue light emission in the range of 407–414 nm with high thermal stability upon excitation at 276 nm. Besides, the activation energy E of La{sub 5.90}Ce{sub 0.10}Ba{sub 4}(SiO{sub 4}){sub 6}F{sub 2} and La{sub 2.90}Ce{sub 0.10}Ba{sub 7}(SiO{sub 4}){sub 3}(PO{sub 4}){sub 3}F{sub 2} phosphors were calculated to be 0.152 and 0.177 eV. These results suggest that La{sub 5.90−x}Ba{sub 4+x}(SiO{sub 4}){sub 6−x}(PO{sub 4}){sub x}F{sub 2}:0.10Ce{sup 3+} is a potential blue phosphor candidate for near-UV-pumped w-LEDs.

  18. Experimental Determination of the Effect of the Ratio of B/Al on Glass Dissolution along the Nepheline (NaAlSiO4sub>) – Malinkoite (NaBSiO4sub>) Join

    Energy Technology Data Exchange (ETDEWEB)

    Pierce, Eric M; Reed, Lunde R; Shaw, Wendy J; McGrail, B Peter; Icenhower, Jonathan P; Windisch, Charles F; Cordova, Elsa A; Broady, Johnathan W

    2010-03-27

    The dissolution kinetics of five glasses along the NaAlSiO4sub>-NaBSiO4sub> join were used to evaluate how the structural variations associated with boron-aluminum substitution affect the rate of dissolution. The composition of each glass varied inversely in mol% of Al2O3 (5 to 25 mol%) and B2O3 (20 to 0 mol%) with Na2O (25 mol%) and SiO2 (50 mol%) making up the remaining amount, in every case Na/(Al+B) = 1.0. Single-pass flow-through experiments (SPFT) were conducted under dilute conditions as a function of solution pH (from 7.0 to 12.0) and temperature (from 23° to 90°C). Analysis by 27Al and 29Si MAS-NMR suggests Al (~98% [4]Al) and Si atoms (~100% [4]Si) occupy a tetrahedral coordination whereas, B atoms occupy both tetrahedral ([4]B) and trigonal ([3]B) coordination. The distribution of [3]B fractionated between [3]B(ring) and [3]B(non-ring) moieties, with the [3]B(ring)/[3]B(non-ring) ratio increases with the B/Al ratio. The MAS-NMR results also indicated an increase in the fraction of [4]B with an increase in the B/Al ratio. But despite the changes in the B/Al ratio and B coordination, the 29Si spectra maintain a chemical shift between -88 to -84 ppm for each glass. Unlike the 29Si spectra, the 27Al resonances shift to more positive values with an increase in the B/Al ratio which suggests mixing between the [4]Al and [3]B sites, assuming avoidance between tetrahedral trivalent cations ([4]Al-O-[4]B avoidance). Raman spectroscopy was use to augment the results collected from MAS-NMR and demonstrated that NeB4 (glass sample with the highest B content) was glass-glass phase separated (e.g., heterogeneous glass). Results from SPFT experiments suggest a forward rate of reaction and pH power law

  19. Layer structured Na{sub 2}Ni(MoO{sub 4}){sub 2} particles as a visible-light-driven photocatalyst for degradation of methylene blue

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yuting; Chen, Luyang; Huang, Yanlin [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Chen, Cuili; Kim, Sun Il [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2015-03-15

    Highlights: • Na{sub 2}Ni(MoO{sub 4}){sub 2} nanoparticles were developed by Pechini method. • The nanoparticles show high absorption in UV–vis wavelength region. • Na{sub 2}Ni(MoO{sub 4}){sub 2} has high activity in the MB dye degradation under visible light. • Hexagonal layers with heavily distorted NiO{sub 6} were superiority for photocatalysis. - Abstract: A new visible-light-driven photocatalyst of Na{sub 2}Ni(MoO{sub 4}){sub 2} particle was prepared by the modified Pechini method. The crystal structure was measured by X-ray diffraction (XRD) and the structural refinement. The sample was investigated by scanning electron microscope (SEM), transmission electron microscopy (TEM), and UV–vis absorption spectrum measurements. The average size of Na{sub 2}Ni(MoO{sub 4}){sub 2} particle is about 180 nm. Na{sub 2}Ni(MoO{sub 4}){sub 2} particle have an efficient optical absorption in the UV–visible light wavelength region with a direct allowed electronic transition of 2.06 eV. The effective photodegradation of methylene blue (MB) dye was demonstrated, which benefits from the special crystal structure of Na{sub 2}Ni(MoO{sub 4}){sub 2} particle. This crystal lattice has two infinite chains formed by (Ni,Na)O{sub 6} and MoO{sub 4} polyhedra standing in lines alone with the inner wall of the hexagonal tunnels. This results in the efficient optical absorption and provides more chances for electron–hole separations, which can further react with dye molecules to oxidize the dye pollutant into non-toxic products.

  20. Photoluminescence characteristics of Sm{sup 3+} doped Ba{sub 3}La(PO{sub 4}){sub 3} as new orange-red emitting phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Ruijin [College of Science, Northwest A and F University, Yangling, Shaanxi 712100 (China); Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of); Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Mi Noh, Hyeon; Kee Moon, Byung; Chun Choi, Byung [Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of); Hyun Jeong, Jung, E-mail: jhjeong@pknu.ac.kr [Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of); Sueb Lee, Ho [Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Jang, Kiwan, E-mail: kwjang@changwon.ac.kr [Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Soo Yi, Soung [Department of Electronic Material Engineering, Silla University, Busan 617-736 (Korea, Republic of)

    2014-01-15

    A series of orange-red emitting Ba{sub 3}La(PO{sub 4}){sub 3}:xSm{sup 3+} (0.01≤x≤0.30) phosphors was synthesized by the convenient solid-state reaction. X-ray diffraction and photoluminescence spectra were utilized to characterize the structure and luminescence properties of the as-synthesized phosphors. The emission spectra of the Ba{sub 3}La(PO{sub 4}){sub 3}:Sm{sup 3+} phosphors consisted of some sharp emission peaks of Sm{sup 3+} ions centered at 563 nm, 600 nm, 647 nm, 710 nm. The strongest one is located at 600 nm due to {sup 4}G{sub 5/2}–{sup 6}H{sub 7/2} transition of Sm{sup 3+}, generating bright orange-red light. The optimum dopant concentration of Sm{sup 3+} ions in Ba{sub 3}La(PO{sub 4}):xSm{sup 3+} is around 5 mol% and the critical transfer distance of Sm{sup 3+} is calculated as 22 Å. The CIE chromaticity coordinates of the Ba{sub 3}La(PO{sub 4}){sub 3}:0.05Sm{sup 3+} phosphors was is located in the orange reddish region. The Ba{sub 3}La(PO{sub 4}){sub 3}:Sm{sup 3+} phosphors may be potentially used as red phosphors for white light-emitting diodes. -- Highlights: • A new Sm{sup 3+}-doped Ba{sub 3}La(PO{sub 4}){sub 3} phosphor was firstly synthesized. • Its structure, luminescent properties are well studied and characterized. • The Ba{sub 3}La(PO{sub 4}){sub 3}:Sm{sup 3+} shows bright orange reddish emissions under UV excitation.

  1. Synthesis and luminescence properties of novel Sr{sub 3}Gd(PO{sub 4}){sub 3}:Dy{sup 3+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qiguang; Sun, Jiayue, E-mail: Jiayue_sun@126.com; Cui, Dianpeng; Di, Qiumei; Zeng, Junhui

    2015-02-15

    Sr{sub 3}(Gd{sub 1−x}Dy{sub x})(PO{sub 4}){sub 3} phosphors for white light-emitting diodes (w-LEDs) were prepared by the conventional solid-state reaction. X-ray diffraction (XRD) and photoluminescence spectra were utilized to characterize the structure and luminescence properties of the as-synthesized phosphors. Luminescence properties shows that the phosphor can be efficiently excited by the ultraviolet visible light in the region from 300 to 450 nm, and it exhibits blue (483 nm) and yellow (575 nm) emission corresponding to {sup 4}F{sub 9/2}→{sup 6}H{sub 15/2} transition and {sup 4}F{sub 9/2}→{sup 6}H{sub 13/2} transition, respectively. It has been found that concentration quenching occurs via dipole–dipole interaction according to Dexter's theory. The temperature dependence of photoluminescence properties is investigated from 25 to 250 °C and the prepared Sr{sub 3}Gd(PO{sub 4}){sub 3}:Dy{sup 3+} phosphors show good thermal quenching properties. - Highlights: • Sr{sub 3}Gd(PO{sub 4}){sub 3}:Dy{sup 3+} phosphors were synthesized by a solid-state reaction method. • The phosphor could be efficiently excited by the UV–vis light region from 300 to 450 nm. • Sr{sub 3}Gd(PO{sub 4}){sub 3}:Dy{sup 3+} phosphors exhibited blue (483 nm) and yellow (575 nm) emission. • The Sr{sub 3}Gd(PO{sub 4}){sub 3}:Dy{sup 3+} phosphors concentration quenching occurred as a result of dipole–dipole interaction. • Sr{sub 3}Gd(PO{sub 4}){sub 3}:Dy{sup 3+} phosphors showed good thermal quenching properties.

  2. Luminescence properties of NaY(WO{sub 4}){sub 2}:Sm{sup 3+}, Eu{sup 3+} phosphors prepared by molten salt method

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ting; Meng, Qingyu, E-mail: qingyumeng163@163.com; Sun, Wenjun

    2016-02-15

    Sm{sup 3+} singly doped NaY(WO{sub 4}){sub 2} and Sm{sup 3+}, Eu{sup 3+} co-doped NaY(WO{sub 4}){sub 2} phosphors have been synthesized by molten salt method. The crystal structure and morphology were characterized by means of X-ray powder diffraction (XRD) and field emission scanning electron microscopy (FE-SEM). In Sm{sup 3+} singly doped NaY(WO{sub 4}){sub 2} phosphors, the suitable doping concentration was proved. In Sm{sup 3+}, Eu{sup 3+} co-doped NaY(WO{sub 4}){sub 2} phosphors, the energy transfer from Sm{sup 3+} to Eu{sup 3+} is confirmed by the luminescent spectra. A strong absorption line at 405 nm can be generated from {sup 6}H{sub 5/2}-{sup 4}K{sub 11/2} ({sup 4}F{sub 7/2}) transition of Sm{sup 3+} in Sm{sup 3+}, Eu{sup 3+} co-doped NaY(WO{sub 4}){sub 2} phosphors, which is suitable for the emission of the near-ultraviolet light-emitting diodes. The energy transfer efficiency, energy transfer rate and average distance between Sm{sup 3+} and Eu{sup 3+} in the NaY(WO{sub 4}){sub 2}:Sm{sup 3+}, Eu{sup 3+} phosphors have been calculated based on the fluorescent dynamic analysis. Finally, the energy transfer mechanism between Sm{sup 3+} and Eu{sup 3+} is confirmed, the energy transfer occurs between {sup 4}G{sub 5/2} state of Sm{sup 3+} ions and {sup 5}D{sub 0} state rather than {sup 5}D{sub 1} state of Eu{sup 3+} ions.

  3. The preparation and graphene surface coating NaTi{sub 2}(PO{sub 4}){sub 3} as cathode material for lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Li, Na; Wang, Yanping; Rao, Richuan; Dong, Xiongzi [Department of Chemical and Chemical Engineering, Hefei normal University, Hefei, Anhui 230601 (China); Zhang, Xianwen, E-mail: 18326056237@163.com [Institute of Advanced Energy Technology & Equipment, Hefei University of Technology, 193 Tunxi Road, Hefei, Anhui 230009 (China); Zhu, Sane, E-mail: sdjnlina@163.com [Department of Chemistry and Materials Engineering, Hefei University, Hefei, Anhui 230601 (China)

    2017-03-31

    Graphical abstract: The NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite is used directly as cathode electrode material for lithium-ion battery by using metal lithium as an anode electrode. Meanwhile, the electrochemical properties of the composite in this system is firstly studied in detail. The NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite exhibits the better rate and cyclic performance than NaTi{sub 2}(PO{sub 4}){sub 3}, which is ascribed to its stable 3-D framework and the enhanced electronic conduction resulting from the graphene sheets surface modification. - Highlights: • The graphene coated NaTi{sub 2}(PO{sub 4}){sub 3} was prepared by a simple sol-gel method followed by calcination. • The electrochemical properties of the NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite was firstly studied in detail when used as cathode electrode material for lithium-ion batteries. • The electrochemical reaction mechanism of NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite was investigated by ex situ XRD. - Abstract: The graphene coated NaTi{sub 2}(PO{sub 4}){sub 3} has been fabricated via a simple sol-gel process followed by calcination. The NaTi{sub 2}(PO{sub 4}){sub 3}/graphene (NTP/G) composite is used directly as cathode electrode material for lithium-ion battery and the electrochemical properties of the composite in this system is firstly studied in detail. In the charge-discharge process, two Li{sup +} can occupy octahedral M (2) site and be reversibly intercalated into the 3D framework of NTP through the ion conduction channel where almost all of Na{sup +} are immobilized to sustain the framework. At 5C rate, the capacity retention of the NTP/G composite after 800 cycles is still up to 82.7%. The superior electrochemical properties of NTP/G is ascribed to its stable 3-D framework and the enhanced electronic conduction resulting from the graphene sheets surface modification.

  4. Synthesis and performance of Li{sub 3}(V{sub 1-x}Mg{sub x}){sub 2}(PO{sub 4}){sub 3} cathode materials

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Changsong; Chen, Zhenyu; Jin, Haizu; Hu, Xinguo [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China)

    2010-09-01

    In order to search for cathode materials with better performance, Li{sub 3}(V{sub 1-x}Mg{sub x}){sub 2}(PO{sub 4}){sub 3} (0, 0.04, 0.07, 0.10 and 0.13) is prepared via a carbothermal reduction (CTR) process with LiOH.H{sub 2}O, V{sub 2}O{sub 5}, Mg(CH{sub 3}COO){sub 2}.4H{sub 2}O, NH{sub 4}H{sub 2}PO{sub 4}, and sucrose as raw materials and investigated by X-ray diffraction (XRD), scanning electron microscopic (SEM) and electrochemical impedance spectrum (EIS). XRD shows that Li{sub 3}(V{sub 1-x}Mg{sub x}){sub 2}(PO{sub 4}){sub 3} (x = 0.04, 0.07, 0.10 and 0.13) has the same monoclinic structure as undoped Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} while the particle size of Li{sub 3}(V{sub 1-x}Mg{sub x}){sub 2}(PO{sub 4}){sub 3} is smaller than that of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} according to SEM images. EIS reveals that the charge transfer resistance of as-prepared materials is reduced and its reversibility is enhanced proved by the cyclic votammograms. The Mg{sup 2+}-doped Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} has a better high rate discharge performance. At a discharge rate of 20 C, the discharge capacity of Li{sub 3}(V{sub 0.9}Mg{sub 0.1}){sub 2}(PO{sub 4}){sub 3} is 107 mAh g{sup -1} and the capacity retention is 98% after 80 cycles. Li{sub 3}(V{sub 0.9}Mg{sub 0.1}){sub 2}(PO{sub 4}){sub 3}//graphite full cells (085580-type) have good discharge performance and the modified cathode material has very good compatibility with graphite. (author)

  5. 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.

  6. Heavy-quark pair production in gluon fusion at next-to-next-to-leading O({alpha}{sup 4}{sub s}) order. One-loop squared contributions

    Energy Technology Data Exchange (ETDEWEB)

    Kniehl, B.A.; Merebashvili, Z. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Koerner, J.G. [Mainz Univ. (Germany). Inst. fuer Physik; Rogal, M. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

    2008-09-15

    We calculate the next-to-next-to-leading order O({alpha}{sup 4}{sub s}) one-loop squared corrections to the production of heavy quark pairs in the gluon-gluon fusion process. Together with the previously derived results on the q anti q production channel the results of this paper complete the calculation of the oneloop squared contributions of the next-to-next-to-leading order O({alpha}{sup 4}{sub s}) radiative QCD corrections to the hadroproduction of heavy flavours. Our results, with the full mass dependence retained, are presented in a closed and very compact form, in dimensional regularization. (orig.)

  7. Photoluminescence and thermoluminescence properties of Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Palvi; Bedyal, A.K. [School of Physics, Shri Mata Vaishno Devi University, Katra, 182320 Jammu and Kashmir (India); Kumar, Vinay, E-mail: vinaykdhiman@yahoo.com [School of Physics, Shri Mata Vaishno Devi University, Katra, 182320 Jammu and Kashmir (India); Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa); Khajuria, Y. [School of Physics, Shri Mata Vaishno Devi University, Katra, 182320 Jammu and Kashmir (India); Lochab, S.P. [Inter University Accelerator Centre, Anura Asaf Ali Marg, P. O. Box 10502, New Delhi 110067 (India); Pitale, S.S. [Crystal Technology Laboratory,TPD, Bhabha Atomic Research Centre Trombay, Mumbai 400085 (India); Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa); Ntwaeaborwa, O.M.; Swart, H.C. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa)

    2014-12-15

    Energy level diagram of Tb{sup 3+} ion in the K{sub 3}Gd(PO{sub 4}){sub 2} host lattice. - Highlights: • First time, a detailed TL and PL study on undoped and Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor. • Combustion method was employed to synthesize the Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor. • Mechanism of excitation and emission in undoped and Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor was given. - Abstract: Tb{sup 3+} doped nanoparticulate K{sub 3}Gd(PO{sub 4}){sub 2} phosphor was prepared by combustion method using urea as a fuel. The structure, optical and luminescent properties of the phosphor were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), diffuse reflectance spectroscopy (DRS), photoluminescence spectroscopy (PL), and thermoluminescence (TL) spectroscopy. In undoped K{sub 3}Gd(PO{sub 4}){sub 2}, the excitation and emission peaks at 273 nm and 323 nm belongs to the {sup 8}S{sub 7/2} → {sup 6}I{sub J(J=7/2)} and {sup 6}P{sub J(J=7/2)} → {sup 8} S{sub 7/2} transitions of Gd{sup 3+} while green emission was observed in the Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2}. TL study was carried out after exposing the samples to γ-radiations (0.1–5 kGy) in the K{sub 3}Gd(PO{sub 4}){sub 2}:Tb{sup 3+} (1.5 mol%). The calculated kinetic parameters were compared with different methods. The band gap of the phosphor was estimated as 5.80 eV. The green shade of the Tb{sup 3+} ion with the CIE coordinates (x, y) as (0.29, 0.54) was in good agreement with the well known green phosphors.

  8. Luminescence properties of Eu{sup 2+} in silver decacalcium heptakis-orthophosphate AgCa{sub 10}(PO{sub 4}){sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hongzhi [School of Materials Science and Engineering, Central South University of Forestry and Technology, Changsha 410004 (China); Zhang, Xinmin, E-mail: zhangxm@csuft.edu.cn [School of Materials Science and Engineering, Central South University of Forestry and Technology, Changsha 410004 (China); Wu, Luyi; Zheng, Wei; Jiang, Wei [School of Materials Science and Engineering, Central South University of Forestry and Technology, Changsha 410004 (China); He, Mengdong [Institute of Mathematics and Physics, Central South University of Forestry and Technology, Changsha 410004 (China); Yuan, Guangming [School of Materials Science and Engineering, Central South University of Forestry and Technology, Changsha 410004 (China); Seo, Hyo Jin [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2017-05-15

    The luminescence properties of Eu{sup 2+} in AgCa{sub 10}(PO{sub 4}){sub 7} has been studied at room and low temperature and the decay times of Eu{sup 2+} in this matrix have been measured and analyzed. According to the crystal structure of AgCa{sub 10}(PO{sub 4}){sub 7}, photoluminescence (PL) spectra and decay curves, the substitution of Eu{sup 2+} ions is possible to four different Ca{sup 2+} sites. The red-shift of emission wavelength and energy transfer process between Eu{sup 2+} activator ions are discussed.

  9. Indium-modified Yb:KLu(WO{sub 4}){sub 2} crystal: Growth, spectroscopy and laser operation

    Energy Technology Data Exchange (ETDEWEB)

    Serres, J.M. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona E-43007 (Spain); Mateos, X., E-mail: xavier.mateos@urv.cat [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona E-43007 (Spain); Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, 2A Max-Born-Str., Berlin D-12489 (Germany); Loiko, P. [ITMO University, 49 Kronverkskiy pr., St. Petersburg 197101 (Russian Federation); Griebner, U.; Petrov, V. [Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, 2A Max-Born-Str., Berlin D-12489 (Germany); Yumashev, K. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Aguiló, M.; Díaz, F. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona E-43007 (Spain)

    2017-03-15

    We report on the growth, spectroscopic and laser characterization of a novel monoclinic laser crystal, Yb,In:KLu(WO{sub 4}){sub 2} (Yb,In:KLuW). The absorption, stimulated-emission and gain cross-section spectra of 3.5 at% Yb, 5.5 at% In-doped KLuW are determined at room temperature with polarized light and compared with those for Yb,In:KYW, as well as singly Yb-doped KLuW and KYW crystals. It is found that the introduction of In results in a decrease of the transition cross-sections and in a spectral broadening of the absorption and emission bands. Such a broadening is more pronounced for light polarization E ||N{sub p}. For Yb,In:KLuW, the maximum σ{sub abs} is 9.9×10{sup –20} cm{sup 2} at 980.9 nm for E ||N{sub m} and the corresponding bandwidth of the absorption peak is 3.7 nm. The radiative lifetime for Yb{sup 3+} ions is 237±5 µs. The stimulated-emission cross-sections are σ{sub SE}(m)=2.4×10{sup –20} cm{sup 2} at 1022.4 nm and σ{sub SE}(p)=1.3×10{sup –20} cm{sup 2} at 1039.1 nm corresponding to an emission bandwidth of >30 nm and >35 nm, respectively. The diode-pumped N{sub g}-cut Yb,In:KLuW microchip laser generated 4.11 W at 1042–1048 nm with a slope efficiency of 78%. The Yb,In:KLuW crystal is very promising for the generation of sub-100 fs pulses in mode-locked lasers due to its broadband emission characteristics.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-11-15

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

  11. Preliminary observation of self-reduction of Eu ions in α-Ca{sub 3}(PO{sub 4}){sub 2} phosphors prepared in air condition

    Energy Technology Data Exchange (ETDEWEB)

    Tong, Chao [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Zhu, Yangguang; Xu, Chuanyan [Suzhou Biomaterials and Advanced Manufacture Engineering Technology Research Center, Suzhou Dingan Technology Co., Ltd, Suzhou 215200 (China); Li, Yadong, E-mail: liyadong@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China)

    2016-11-01

    A series of Eu doped α-Ca{sub 3}(PO{sub 4}){sub 2} phosphors were synthesized by a high-temperature solid-state reaction in air atmosphere. The crystal structures, photoluminescence properties of the phosphors were systematically studied. The emission spectra showed a broad emission band centered at 492 nm attributed to the typical 4f{sup 6}5d{sup 1}→4f{sup 7} transition of Eu{sup 2+}ions, and several sharp peaks from 560 to 750 nm attributed to the 5D{sub 0}→7F{sub J}(J=0,1,2,3,4) transition of Eu{sup 3+}ions. The results, combined with the X-ray photoelectron spectroscopy measurements, demonstrate self-reduction of Eu{sup 3+}to Eu{sup 2+}occurred in α-Ca{sub 3}(PO{sub 4}){sub 2} matrix for the first time. This suggested that the Eu{sup 2+}ions in α-Ca{sub 3}(PO{sub 4}){sub 2}could serve as a spectroscopic probe to detect the content of α-Ca{sub 3}(PO{sub 4}){sub 2}in phase transition process.

  12. Freeze-drying synthesis of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode material for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Qiao, Y.Q. [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Wang, X.L., E-mail: wangxl@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Mai, Y.J.; Xia, X.H.; Zhang, J.; Gu, C.D. [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Tu, J.P., E-mail: tujp@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C was synthesized by freeze-drying method. Black-Right-Pointing-Pointer A specific capacity of 105.6 mAh g{sup -1} can be obtained at 14.8 C. Black-Right-Pointing-Pointer 93.3 mAh g{sup -1} can be delivered at a higher current density of 29.6 C. Black-Right-Pointing-Pointer The Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C electrode shows a good cycling performance. - Abstract: Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode material was synthesized by using a freeze-drying method followed by carbon-thermal reduction. This as-prepared material has a uniform particle size distribution and a well carbon coating on the surface of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} particles. The Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C exhibits good electrochemical performance and cycling stability. Between 3.0 and 4.3 V, the composite delivered a reversible capacity of 125.2 mAh g{sup -1} at a charge-discharge rate of 1.48 C (1 C = 133 mA g{sup -1}) and without obviously capacity fading after 100 cycles. Even at 14.8 C and 29.6 C rates, it can still deliver discharge capacities of 105.6 mAh g{sup -1} and 93.3 mAh g{sup -1}, and the discharge capacities of 84.5 and 60.5 mAh g{sup -1} are sustained after 500 cycles, respectively.

  13. Thermoluminescence and glow curves analysis of γ-exposed Eu{sup 3+} doped K{sub 3}Y(PO{sub 4}){sub 2} nanophosphors

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Palvi; Bedyal, A.K. [School of Physics, Shri Mata Vaishno Devi University, Katra-182320, J& K (India); Kumar, Vinay, E-mail: vinaykdhiman@yahoo.com [School of Physics, Shri Mata Vaishno Devi University, Katra-182320, J& K (India); Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein 9300 (South Africa); Singh, Vivek K.; Khajuria, Y. [School of Physics, Shri Mata Vaishno Devi University, Katra-182320, J& K (India); Ntwaeaborwa, O.M.; Swart, H.C. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein 9300 (South Africa)

    2016-01-15

    Highlights: • First time, a detailed comparative study of the glow curves and kinetic parameters was made on K{sub 3}Y(PO{sub 4}){sub 2} nanophosphor. • Combustion method was employed to synthesize the Eu{sup 3+} doped K{sub 3}Y(PO{sub 4}){sub 2} nanophosphor. • The nanophosphor exhibited sublinear response suggesting that it is suitable for TL dosimetry. - Abstract: Eu{sup 3+} doped K{sub 3}Y(PO{sub 4}){sub 2} nanophosphor was synthesized by combustion synthesis using urea as a fuel. The crystal structure and particle morphology of the nanophosphor were investigated by using X-ray diffraction and transmission electron microscopy, respectively. A Thermoluminescence (TL) study was carried out after exposing the samples to gamma radiation. The TL glow curves exhibited a prominent peak at 407 K and a small hump at 478 K. The intensity of the peaks increased with the increase in the dose of the gamma rays (0.01–5 kGy). The K{sub 3}Y(PO{sub 4}){sub 2}: Eu{sup 3+} (2.5 mol%) nanophosphor exhibited sublinear TL response to γ-radiation over a wide range of gamma doses (0.01–5 kGy). The TLanal program was used to analyze the glow curves of the K{sub 3}Y(PO{sub 4}){sub 2} nanophosphor at different doses (0.2–5 kGy) and different heating rates (3–10 K/s). A comparative study was done for kinetic trapping parameters that were determined by the peak shape methods of Chen, Grossweiner and Lushchik. The frequency factors (s) for each glow peak were also calculated. The values of the activation energy (E) obtained by the TLanal program were in good agreement with those obtained by the peak shape methods. The effect of different amount of doses and different heating rates are discussed.

  14. Polyacrylamide+Al{sub 2}(SO{sub 4}){sub 3} and polyacrylamide+CaO remove coliform bacteria and nutrients from swine wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Entry, J.A.; Phillips, Ian; Stratton, Helen; Sojka, R.E

    2003-03-01

    Polyacrylamide mixture may be able to reduce run-off of enteric bacteria from animal wastes. - Animal wastes are a major contributor of nutrients and enteric microorganisms to surface water and ground water. Polyacrylamide (PAM) mixtures are an effective flocculent, and we hypothesized that they would reduce transport of microorganisms in flowing water. After waste water running at 60.0 l min{sup -1} flowed over PAM+Al{sub 2}(SO{sub 4}){sub 3}, or PAM+CaO in furrows, total coliform bacteria (TC) and fecal coliform bacteria (FC) were reduced by 30-50% at 1 and 50 m downstream of the treatments compared to the control. In a column study, PAM+Al{sub 2}(SO{sub 4}){sub 3}, and PAM+CaO applied to sandy, sandy loam, loam, and clay soils reduced NH{sub 4}{sup +} and ortho-P concentrations in leachate compared to the source waste water and the control. PAM+Al{sub 2}(SO{sub 4}){sub 3} and PAM+CaO applied to sandy, sandy loam and loam soils reduced both total and ortho-P, concentrations in leachate compared to the source wastewater and control treatment. In a field study, PAM+Al{sub 2}(SO{sub 4}){sub 3}, or PAM+CaO treatments did not consistently reduce NH{sub 4}{sup +}, NO{sub 3}{sup -}, ortho-P, and total P concentrations in wastewater flowing over any soil compared to inflow wastewater or the control treatment. With proper application PAM+ Al{sub 2}(SO{sub 4}){sub 3} and PAM+CaO may be able to reduce the numbers of enteric bacteria in slowly flowing wastewater running off animal confinement areas, reducing the amount of pollutants entering surface water and groundwater.

  15. Luminescence properties and energy transfer investigations of Sr{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Zaifa; Xu, Denghui, E-mail: xudh@btbu.edu.cn; Sun, Jiayue; Du, Jiangnan; Gao, Xuedong

    2016-09-15

    Highlights: • A phosphor Sr{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} for UV-based white LEDs was firstly synthesized successfully. • The phase structure and photoluminescence properties of samples were studied in detail. • The energy transfer process from Ce{sup 3+} to Tb{sup 3+} ions was illustrated in detail. • Sr{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} phosphor has potential applications as an UV-convertible phosphor for white light emitting diodes. - Abstract: A series of Ce{sup 3+} or Tb{sup 3+} doped and Ce{sup 3+}/Tb{sup 3+} co-doped Sr{sub 3}Lu(PO{sub 4}){sub 3} phosphors were prepared via the conventional high temperature solid-state reaction. The phase structure, photoluminescence and energy transfer properties of samples were studied in detail. The optimal proportion of Ce{sup 3+} single doping is 4 mol% with maximal fluorescence intensity. The Sr{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} phosphor shows both a blue emission (428 nm) from Ce{sup 3+} and a yellowish-green emission (545 nm) from Tb{sup 3+} with considerable intensity under ultraviolet (UV) excitation (268 nm). The energy transfer from Ce{sup 3+} to Tb{sup 3+} ions takes place in the Sr{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} phosphor on the basis of the analysis of the luminescence spectra. The energy transfer mechanism from Ce{sup 3+} to Tb{sup 3+} ions was proved to be dipole–dipole interaction. The energy transfer behaviors in Sr{sub 3}Lu(PO{sub 4}){sub 3}:Ce{sup 3+}, Tb{sup 3+} phosphor is also investigated by the lifetime measurement. The results show that this phosphor has potential applications for UV white-light LEDs.

  16. High-efficiency Thin-film Fe2SiS4sub> and Fe2GeS4sub>-based Solar Cells Prepared from Low-Cost Solution Precursors. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Radu, Daniela Rodica [Delaware State Univ., Dover, DE (United States); Univ. of Delaware, Newark, DE (United States); Liu, Mimi [Delaware State Univ., Dover, DE (United States); Hwang, Po-yu [Delaware State Univ., Dover, DE (United States); Berg, Dominik [Rowan Univ., Glassboro, NJ (United States); Dobson, Kevin [Univ. of Delaware, Newark, DE (United States). Inst. of Energy Conversion (IEC)

    2017-12-28

    The project aimed to provide solar energy education to students from underrepresented groups and to develop a novel, nano-scale approach, in utilizing Fe2SiS4sub> and Fe2GeS4sub> materials as precursors to the absorber layer in photovoltaic thin-film devices. The objectives of the project were as follows: 1. Develop and implement one solar-related course at Delaware State University and train two graduate students in solar research. 2. Fabricate and characterize high-efficiency (larger than 7%) Fe2SiS4sub> and Fe2GeS4sub>-based solar devices. The project has been successful in both the educational components, implementing the solar course at DSU as well as in developing multiple routes to prepare the Fe2GeS4sub> with high purity and in large quantities. The project did not meet the efficiency objective, however, a functional solar device was demonstrated.

  17. Demonstration and Validation of a Portable Raman Sensor for In-Situ Detection and Monitoring of Perchlorate (ClO4sub>-)

    Energy Technology Data Exchange (ETDEWEB)

    Hatzinger, Paul B. [Shaw Environmental, Inc., Lawrenceville, NJ (United States); Eres, Gyula [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Gu, Baohua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jubb, Aaron M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-03-01

    Costs for environmental analysis and monitoring are increasing at a rapid rate and represent a significant percentage of the total and future remedial expenses at many U.S. Department of Defense (DoD) contaminated sites. It has been reported that about 30 to 40% of the remediation budget is usually spent on long-term monitoring (LTM), of which a large percentage represents laboratory analytical costs. Energetics such as perchlorate (ClO4sub>-) are among the most frequently detected contaminants in groundwater and surface water at or near military installations due to their persistence and mobility. Currently, the standard protocol entails collecting samples in the field, packaging them, and shipping them overnight to a designated laboratory for analysis. This process requires significant sample preparation and handling, and analytical results may not be available for several days to weeks. In this project, we developed and demonstrated a portable Raman sensor based on surface enhanced Raman scattering (SERS) technology to detect ClO4sub>- in contaminated water. We summarize major accomplishments as follows: • A SERS sensor based on elevated gold (Au) nano-ellipse dimer architectures was designed and developed for ClO4sub>- with a detection limit of ~10-6 M (or 100 μg/L); The performance of these sensors was evaluated and optimized through variation of their geometric characteristics (i.e., dimer aspect ratio, dimer separation, etc.). • Large-scale commercial production of SERS substrate sensors via nanoimprinting by Nanova Inc. and Nanoimprint lithography (NIL) technology was successfully demonstrated. This is a substantial step forward toward the commercialization of the SERS sensors and may potentially lead to significantly reduced fabrication costs of SERS substrates. • Commercially produced SERS sensors were demonstrated to detect ClO4sub>- at levels above 10-6

  18. Infrared anisotropy of La/sub 1.85/Sr/sub 0.15/CuO/sub 4-//sub y/

    International Nuclear Information System (INIS)

    Doll, G.L.; Steinbeck, J.; Dresselhaus, G.; Dresselhaus, M.S.; Strauss, A.J.; Zeiger, H.J.

    1987-01-01

    By calculating the infrared reflectance R(ω) for a collection of randomly oriented crystallites, we fit the reflectance of polycrystalline La/sub 1.85/Sr/sub 0.15/CuO/sub 4-//sub y/. From this calculation, the normal state of La/sub 1.85/Sr/sub 0.15/CuO/sub 4-//sub y/ is found to be metallic in the Cu-O planes and nonmetallic out-of-plane. The deconvolution of R(ω) into R/sub X/ and R/sub perpendicular/ allows the anisotropy of the system to be examined and provides a method by which infrared measurements of polycrystalline materials can be interpreted

  19. Neutron scattering studies of the H2a-H2b and (H3-H4)/sub 2/ histone complexes

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, R.D.

    1982-01-01

    Neutron scattering experiments have shown that both the (H3-H4)/sub 2/ and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4)/sub 2/ tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk, can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. 48 references, 12 figures, 1 table.

  20. Analysis of X-ray adsorption edges: L2,3 edge of FeCl4sub>-

    Energy Technology Data Exchange (ETDEWEB)

    Bagus, Paul S. [Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, USA; Nelin, Connie J. [Consultant, Austin, Texas 78730, USA; Ilton, Eugene S. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA; Sassi, Michel J. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA; Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA

    2017-12-14

    We describe a detailed analysis of the features of the X-ray adsorption spectra at the Fe L2,3 edge of FeCl4sub>. The objective of this analysis is to explain the origin of the complex features in relation to properties of the wavefunctions, especially for the excited states. These properties include spin-orbit and ligand field splittings where a novel aspect of the dipole selection rules is applied to understand the influence of these splittings on the spectra. We also explicitly take account of the intermediate coupling of the open core and valence shell electrons. Our analysis also includes comparison of theory and experiment for the Fe L2,3 edge and comparison of theoretical predictions for the Fe3+ cation and FeCl4sub>-. The electronic structure is obtained from theoretical wavefunctions for the ground and excited states.

  1. Spontaneous piezoelectric effect as order parameter in (NH{sub 4}){sub 2}CuBr{sub 4}·2H{sub 2}O crystal

    Energy Technology Data Exchange (ETDEWEB)

    Tylczyński, Z., E-mail: zbigtyl@amu.edu.pl; Wiesner, M.; Trzaskowska, A.

    2016-11-01

    Temperature change of piezoelectric properties of (NH{sub 4}){sub 2}CuBr{sub 4}·2H{sub 2}O crystal in the low-temperature ferroelastoelectric phase is studied. The macroscopic order parameter is proved to be the h{sub 36} component of the spontaneous piezoelectric tensor. The critical exponent related with the phase transition is α=0.60±0.05.

  2. The perturbative construction of Symanzik's improved action for [Phi][sup 4][sub 4] and QED[sub 4

    Energy Technology Data Exchange (ETDEWEB)

    Keller, G. (Max-Planck-Inst. fuer Physik, Werner-Heisenberg-Inst., Muenchen (Germany))

    1993-08-01

    For the perturbative Euclidean massive [Phi][sup 4][sub 4] and QED[sub 4] (with a small photon mass) an explicit construction of Symanzik's improved action is presented. It is established rigorously that all the Green functions exhibit improved convergence as the momentum space UV cutoff is sent to infinity. These results are obtained by an application of the powerful yet technically simple flow equation method. (orig.)

  3. Energy gap in La/sub 1. 85/Sr/sub 0. 15/CuO/sub 4-//sub y/ from point-contact tunneling

    Energy Technology Data Exchange (ETDEWEB)

    Hawley, M.E.; Gray, K.E.; Capone II, D.W.; Hinks, D.G.

    1987-05-01

    Point-contact tunneling into the high-T/sub c/ superconductor La/sub 1.85/Sr/sub 0.15/CuO/sub 4-//sub y/ reveals the first direct measure of the energy gap. Values range from 8 to 14 meV with the variation perhaps due to impurity phases, pressure-induced changes, or anisotropy. Even the minimum value indicates a strong-coupling superconductor.

  4. Magnetostructural Phase Diagram of Multiferroic (ND4sub>)2FeCl5.H2O

    Energy Technology Data Exchange (ETDEWEB)

    Clune, A. [Univ. of Tennessee, Knoxville, TN (United States); Hughey, K. [Univ. of Tennessee, Knoxville, TN (United States); Musfeldt, J. L. [Univ. of Tennessee, Knoxville, TN (United States); Tian, W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Fernandez-Baca, J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Singleton, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-02-13

    Spin and polarization flop transitions are fascinating, especially when controlled by external stimuli like magnetic and electric field and accompanied by large material responses involving multiple degrees of freedom. Multiferroics like MnWO4sub>, TbMnO3, and Ni3TeO6 are flagship examples and owe their remarkable properties, for instance field control of polarization and polarization flops combined with spin helix reorientation, to the anisotropy and heavy centers that bring in spin-orbit coupling. The family of A2FeX5.H2O erythrosiderites (A = K, Rb, NH4sub>; B = Fe, Mn, Co; X = Cl, Br, H2O) drew our attention due to the rich chemical tuning possibilities, complex phase diagrams, and topological similarities to oxide multiferroics.1 (NH4sub>)2FeCl5.H2O is the flagship example (Fig. 1(a)). It displays a high temperature order-disorder transition involving long-range hydrogen bonding of the NH4sub>+ group and two successive low temperature magnetic transitions below which non-collinear magnetic order and ferroelectricity are established.1 In addition to the magnetically-induced electric polarization that arises below 6.9 K (P = 3 μC/m2 along a and a smaller component along b), applied field reveals a peculiar hysteretic spin flop transition near 4.5 T above which polarization flops from the a- to the c-axis. There are elastic components as well. Taken together, these findings raise questions about the interactions that induce this behavior and whether additional non-equilibrium phases might be accessed under even higher magnetic fields.

  5. Crystal structure, IR and Mössbauer spectroscopy and magnetic properties of KZnFe(PO{sub 4}){sub 2} related to the zeolite-ABW-like compounds

    Energy Technology Data Exchange (ETDEWEB)

    Badri, Abdessalem [UR Matériaux Inorganiques, Faculté des Sciences, Université de Monastir, Monastir 5019 (Tunisia); Hidouri, Mourad, E-mail: mourad_hidouri@yahoo.fr [UR Matériaux Inorganiques, Faculté des Sciences, Université de Monastir, Monastir 5019 (Tunisia); Wattiaux, Alain [Institut de Chimie de la Matière Condensée de Bordeaux, CNRS, Université de Bordeaux I, 87 Avenue du Dr. A. Schweitzer, Pessac-Cedex 33608 (France); López, María Luisa; Veiga, María Luisa [Departamento de Química Inorgánica I, Facultad de Ciencias Químicas, Universidad Complutense, Madrid 28040 (Spain); Amara, Mongi Ben [UR Matériaux Inorganiques, Faculté des Sciences, Université de Monastir, Monastir 5019 (Tunisia)

    2014-07-01

    Highlights: • The reported structure of KZnFe(PO{sub 4}){sub 2} is closely related to the zeolite ABW-type. • The structure is described in detail. • The IR and Mössbauer spectroscopy results are reported. • The magnetic properties are developed. - Abstract: The new iron phosphate KZnFe(PO{sub 4}){sub 2} has been synthesized by flux method and solid state reaction, and characterized by X-ray diffraction, IR, Mössbauer spectroscopy and magnetic susceptibility. This compound crystallizes in the monoclinic space group C2/c with the cell parameters: a = 13.514(4) Å, b = 13.273(6) Å, c = 8.742(3) Å and β = 100.07(2)°. It displays strong similarities with the phosphates KCoAl(PO{sub 4}){sub 2} and NaCoPO{sub 4} and features some analogies with the zeolite-ABW structural type. 3D framework is built up by a corner-sharing between MO{sub 4} (M = 0.5 Zn + 0.5 Fe) and PO{sub 4} tetrahedra. The K{sup +} ions are found within crossing tunnels perpendicular to the (1 0 0), (0 1 0) and (0 0 1) planes, delimited by this framework. A Mössbauer study confirmed the presence of Fe{sup 3+} ions in a tetrahedral environment. Magnetic measurements revealed an antiferromagnetic behavior with T{sub N} = 8.5 K.

  6. Synthesis and photoluminescence properties of Sm{sup 3+}substituted glaserite-type orthovanadates K{sub 3}Y[VO{sub 4}]{sub 2} with monoclinic structure

    Energy Technology Data Exchange (ETDEWEB)

    Duke John David, A., E-mail: dukejohndavid02@gmail.com [Voorhees College, Vellore, Tamil Nadu (India); Muhammad, G. Shakil [Islamiah College, Vaniyambadi, Tamil Nadu (India); Sivakumar, V. [National Institute of Technology (NIT), Rourkela (India)

    2016-09-15

    A novel phosphor of Glaserite type Orthovanadate K{sub 3}Y[VO{sub 4}]{sub 2} substituted with the trivalent rare-earth Sm{sup 3+} ions were synthesized by the conventional high temperature solid-state reaction method, their structural characterization and photoluminescent properties were investigated by X-ray diffraction and spectrofluorimetry. The phase-purity of glaserite structure in the synthesized compound was verified by XRD study. The morphology was measured by FESEM. Host lattice emits broad-band green color and it is originated from the [VO{sub 4}]{sup 3−}. Photoluminescence studies of Sm{sup 3+} activated samples show orange red emission. The charge transfer behaviours from [VO{sub 4}]{sup 3−} to Sm{sup 3+} ions (host to activator) in K{sub 3}Y{sub (1−x)}[VO{sub 4}]{sub 2}: {sub x}Sm{sup 3+} phosphors have been confirmed by photoluminescence and PL decay life time measurement. No concentration quenching was observed even for higher concentration of the dopant Sm{sup 3+} ions. The CIE chromaticity color coordinate values were calculated and it is very much closer to the NTSC standards. All the results clearly indicate that self-activated K{sub 3}Y{sub 1−x}[VO{sub 4}]{sub 2} with the rare earth {sub x}Sm{sup 3+} activated phosphors show great potential as a phosphor material for near-UV based white LEDs.

  7. Thermal Annealing of Paramagnetic Defects Induced by Gamma Irradiation in (NH{sub 4}){sub 2}SO{sub 4} and (ND{sub 4}){sub 2}SO{sub 4} Single Crystals: Experimental Verification of the Theory of Fletcher and Brown; Recuit Thermique des Defauts Paramagnetiques Induits par Irradiation Gamma dans des Monocristaux de (NH{sub 4}){sub 2}SO{sub 4} et (ND{sub 4}){sub 2}SO{sub 4}: Verification Experimentale de la Theorie de Fletcher et Brown; 0422 0415 0420 041c 0414 ; Regeneracion Termica de los Defectos Paramagneticos Inducidos por Irradiacion Gamma en Monocristales de (NH{sub 4}){sub 2}SO{sub 4} y (ND{sub 4}){sub 2}SO{sub 4}: Verificacion Experimental de la Teoria de Fletcher y Brown

    Energy Technology Data Exchange (ETDEWEB)

    Calusaru, A.; Barbur, I.; Ursu, I. [Institut de Physique Atomique, Bucarest (Romania); Universite ' Babes' , Cluj (Romania)

    1965-04-15

    In irradiated (NH{sub 4}){sub 2}SO{sub 4} And (ND{sub 4}){sub 2}SO{sub 4} crystals two paramagnetic species were identified by means of the electron spin resonance method. The g constant of the first radical is 2.014 and of the second 2.020 for the normal hydrogen compound; for the deuterated compound they are 1.996 and 2.0032 respectively. Study of the annealing of the first radical in the 60 Degree-Sign -170 Degree-Sign C range showed that in this case the kinetics display a single plateau corresponding to a total recombination of the radicals. For each isotherm it was possible to obtain the appropriate equation using the errors function derived by Fletcher and Brown and taking as a model the recombination of initially correlated (and subsequently liberated) pairs by a random-walk process. Agreement between this function and experimental results was obtained after correcting the function by a factor {alpha}. The composite annealing curve is in good agreement with the corrected errors function. Using the phenomenological method of Fletcher and Brown for calculating the activation energy we obtained a value of 1.594 eV, corresponding to the first radical in (NH{sub 4}){sub 2}SO{sub 4}. On the basis of the variation of the diffusion coefficient with temperature we obtained a value of 1.592 eV for the same activation energy. With the Vand- Primack method we obtained 1.45 eV, which is lower than the two preceding values. We concluded that the recombination of correlated pairs by a random-walk process can be used as a model in the form given by the theory if the interaction between the species formed and the lattice is fairly weak; in this way the pairs which are initially correlated can be liberated. (author) [French] Dans les cristaux irradies de (NH{sub 4}){sub 2}SO{sub 4} et (ND{sub 4}){sub 2}SO{sub 4}, on a identifie deux especes paramagnetiques en utilisant la methode de resonance du spin electronique. La constante g du premier radical est 2,014, et celle du

  8. The synthesis and luminescence properties of a novel red-emitting phosphor. Eu{sup 3+}-doped Ca{sub 9}La(PO{sub 4}){sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Zehui [Guangdong University of Technology, Experimental Teaching Department, Guangzhou (China); Guangdong University of Technology, School of Chemical Engineering and Light Industry, Guangzhou (China); Mu, Zhongfei; Zhu, Daoyun [Guangdong University of Technology, Experimental Teaching Department, Guangzhou (China); Wang, Qiang; Wu, Fugen [Guangdong University of Technology, School of Materials and Energy, Guangzhou (China)

    2017-10-15

    A series of novel red-emitting phosphors Ca{sub 9}La{sub 1-x}(PO{sub 4}){sub 7}: xEu{sup 3+} were synthesized by high-temperature solid state reactions. The photoluminescence excitation and photoluminescence spectra of these phosphors were investigated in detail. O{sup 2-}-Eu{sup 3+} charge transfer band peaking at about 261 nm is dominant in the PLE spectra of Eu{sup 3+}-doped Ca{sub 9}La(PO{sub 4}){sub 7}, indicating that the phosphors are suitable for tricolor fluorescent lamps. The phosphors also show a good absorption in near ultraviolet (around 395 nm) and blue (around 465 nm) spectral region, which indicates that it can be pumped with NUV and blue chips for white light-emitting diodes. The transition of {sup 5}D{sub 0} → {sup 7}F{sub 2} of Eu{sup 3+} in this lattice can emit bright red light. Ca{sub 9}La(PO{sub 4}){sub 7} could accommodate a large amount of Eu{sup 3+} with an optimal concentration of 60 mol%. The dipole-dipole interaction between Eu{sup 3+} is the dominant mechanism for concentration quenching of Eu{sup 3+}. The calculated color coordinates lie in red region (x = 0.64, y = 0.36), which is close to Y{sub 2}O{sub 3}: 0.05Eu{sup 3+} (x = 0.65, y = 0.34). The integral emission intensity of Ca{sub 9}La{sub 0.4}(PO{sub 4}){sub 7}: 0.6Eu{sup 3+} is 1.9 times stronger than that of widely used commercial red phosphor Y{sub 2}O{sub 3}: 0.05Eu{sup 3+}. All these results indicate that Eu{sup 3+}-doped Ca{sub 9}La(PO{sub 4}){sub 7} is a promising red-emitting phosphor which can be used in tricolor fluorescent lamps and white light-emitting diodes. (orig.)

  9. Optical non-linearity tuning in Ca{sub 8-x}Pb{sub x}MBi(VO{sub 4}){sub 7} whitlockite-type systems

    Energy Technology Data Exchange (ETDEWEB)

    Beskorovaynaya, Daria A., E-mail: darya.beskorovajnaya@list.ru [Chemistry Department, Moscow State University, 119991 Moscow (Russian Federation); Department of Physical and Colloid Chemistry, Gubkin Russian State University of Oil and Gas, 119991 Moscow (Russian Federation); Deyneko, Dina V. [Chemistry Department, Moscow State University, 119991 Moscow (Russian Federation); Shubnikov Institute of Crystallography RAS, 119333 Moscow (Russian Federation); Baryshnikova, Oksana V. [Chemistry Department, Moscow State University, 119991 Moscow (Russian Federation); Stefanovich, Sergey Yu. [Chemistry Department, Moscow State University, 119991 Moscow (Russian Federation); L.Ya. Karpov Institute of Physical Chemistry, 105064 Moscow (Russian Federation); Lazoryak, Bogdan I. [Chemistry Department, Moscow State University, 119991 Moscow (Russian Federation)

    2016-07-25

    Ca{sub 8-x}Pb{sub x}MBi(VO{sub 4}){sub 7}, M{sup 2+} = Mg{sup 2+}, Zn{sup 2+} (0 ≤ x ≤ 1.5) and M{sup 2+} = Ca{sup 2+}, Cd{sup 2+} (0 ≤ x ≤ 2) solid solutions with whitlockite-type structure have been prepared by solid state reactions in the form of powders and ceramics. Ferroelectric phase transitions (FPT) are revealed in the cause of dielectric, calorimetric and temperature second harmonic generation (SHG) investigations. It is found that ferroelectric Curie points in solid solutions decrease with x from 1000–1070 K to 730–800 K. The intensity of SHG firstly increases with x and then decreases, the highest SHG signal belongs to Ca{sub 7}PbCdBi(VO{sub 4}){sub 7} and Ca{sub 6.5}Pb{sub 1.5}CdBi(VO{sub 4}){sub 7}. Variation of Pb{sup 2+} concentration is shown to have a minor influence on the coherence length, therefore the SHG augmentation in solid solutions is attributed to optical nonlinear coefficient . The structure of Ca{sub 6.5}Pb{sub 1.5}MgBi(VO{sub 4}){sub 7} is resolved and crystal structure changes in solid solutions are analyzed. The results are interpreted in view of site occupancy by two- and trivalent cations and their influence on formation of spare space essential for Pb{sup 2+} and Bi{sup 3+} non-bonded electrons stereo-activity in whitlockite-type crystal structures. For the first time contribution to optical nonlinearity from VO{sub 4}{sup 3−} anionic groups in different positions is also discussed. - Highlights: • The Curie temperatures of ferroelectric Ca{sub 8-x}Pb{sub x}MBi(VO{sub 4}){sub 7} solid solutions are chemically controlled from 1070 down to 730–800 K. • Optical SHG non-linear coefficient in Ca{sub 8-x}Pb{sub x}MBi(VO{sub 4}) strongly increase up to 3.3 pm/V at an optimized Pb and Bi concentration. • Structure-property correlations in the whitlockites includes crystal site positions occupancy by two- and trivalent cations.

  10. X-ray spectroscopic characterization of Co(IV) and metal–metal interactions in Co4sub>O4sub>: 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 Co4sub>O4sub> 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 t2g-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 Co4sub>O4sub>. Guided by the data, calculations show electron-hole delocalization can actually oppose Co(IV) formation. Computational extension of Co4sub>O4sub> to CoM3O4sub> 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.

  11. Bioactivity and mineralization of hydroxyapatite with bioglass as sintering aid and bioceramics with Na{sub 3}Ca{sub 6}(PO{sub 4}){sub 5} and Ca{sub 5}(PO{sub 4}){sub 2}SiO{sub 4} in a silicate matrix

    Energy Technology Data Exchange (ETDEWEB)

    Demirkiran, Hande [Materials Science and Engineering Department, University of Texas at Arlington, Arlington, TX 76019 (United States); Mohandas, Arunesh; Dohi, Motokazi; Fuentes, Alonso; Nguyen, Kytai [Bioengineering Department, University of Texas at Arlington, Arlington, TX 76019 (United States); Aswath, Pranesh, E-mail: aswath@uta.edu [Materials Science and Engineering Department, University of Texas at Arlington, Arlington, TX 76019 (United States)

    2010-01-30

    Hydroxyapatite and Bioglass-45S5 were sintered together creating new ceramic compositions that yielded increased apatite deposition and osteoblast differentiation and proliferation in vitro compared to hydroxyapatite. The sintered products characterized by X-ray diffraction, revealed hydroxyapatite as the main phase when small quantities (1, 2.5 and 5 wt.%) of bioglass was added. Bioglass behaved as a sintering aid with {beta}-TCP (Ca{sub 3}(PO{sub 4}){sub 2}) being the minor phase. The amount of {beta}-TCP increased with the amount of bioglass added. In compositions with larger additions of bioglass (10 and 25 wt.%), new phases with compositions of calcium phosphate silicate (Ca{sub 5}(PO{sub 4}){sub 2}SiO{sub 4}) and sodium calcium phosphate (Na{sub 3}Ca{sub 6}(PO{sub 4}){sub 5}) were formed respectively within amorphous silicate matrices. In vitro cell culture studies of the ceramic compositions were examined using bone marrow stromal cell (BMSC). Cell proliferation and differentiation of bone marrow stromal cells into osteoblasts were determined by Pico Green DNA assays and alkaline phosphatase (ALP) activity, respectively. All hydroxyapatite-bioglass co-sintered ceramics exhibited larger cell proliferation compared to pure hydroxyapatite samples. After 6 days in cell culture, the ceramic with Ca{sub 5}(PO{sub 4}){sub 3}SiO{sub 4} in a silicate matrix formed by reacting hydroxyapatite with 10 wt.% bioglass exhibited the maximum proliferation of the BMSC's. The ALP activity was found to be largest in the ceramic with Na{sub 3}Ca{sub 6}(PO{sub 4}){sub 5} embedded in a silicate matrix synthesized by reacting hydroxyapatite with 25 wt.% bioglass.

  12. Phosphorescence behavior and photoluminescence mechanism of Dy{sup 3+} sensitized β-Zn{sub 3}(PO{sub 4}){sub 2}: Mn{sup 2+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Ting; Guo, Hongxu [School of Chemistry & Environment, Minnan Normal University, Zhangzhou 363000, Fujian (China); Zhang, Junying [Department of Physics, Beihang University, Beijing 100191 (China); Odetola, Christopher [Department of Chemistry, University of Ontario Institute of Technology, Ontario L1H 7K4 (Canada); He, Yuneng; Lin, Heng; Chen, Guoliang [School of Chemistry & Environment, Minnan Normal University, Zhangzhou 363000, Fujian (China); Zheng, Zishan, E-mail: Z.Zheng@mnnu.edu.cn [School of Chemistry & Environment, Minnan Normal University, Zhangzhou 363000, Fujian (China)

    2015-09-05

    Highlights: • A red long persistent phosphor of β-Zn{sub 3}(PO{sub 4}){sub 2}: Mn{sup 2+}, Dy{sup 3+} was synthesized. • Dy{sup 3+} as a sensitizer transfers its energy to the luminescent center of Mn{sup 2+}. • The three factors are responsible for the improvement of LPP properties. - Abstract: A red long persistent phosphor (LPP) of β-Zn{sub 3}(PO{sub 4}){sub 2}: Mn{sup 2+}, Dy{sup 3+} was synthesized conventionally via homogeneous coprecipitation and conventional solid-state sintering methods. The emission peak of phosphor was found at 620 nm, which can be assigned to the {sup 4}T{sub 1g} → {sup 6}A{sub 1g} transition of Mn{sup 2+}. The decay curves of phosphors show that Dy{sup 3+} ions co-doping can largely improve the performance of the red LLP of β-Zn{sub 3}(PO{sub 4}){sub 2}: Mn{sup 2+}. This red long-persistent luminescence was observed for about 4 h in the limit of light perception for naked eyes when excited under 254 nm UV light for 5 min. Thermoluminescence analysis indicates that the dopant of Dy{sup 3+} ions produced suitable trap depth of defects that enhanced the luminescence of LPP. It is hypothesized that Dy{sup 3+} as a sensitizer transfers its energy to the luminescent center of Mn{sup 2+}. We propose that the emission mechanism of LPP experiences a series process of electron–hole pairs: production, release, movement and combination. The decay time of LPP has close relationship with the life span of electron–hole pairs during their releasing time from traps and moving length on their path.

  13. Microwave synthesis of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C as positive-electrode materials for rechargeable lithium batteries

    Energy Technology Data Exchange (ETDEWEB)

    Xi, Yupeng; Zhang, Yanhui; Su, Zhi, E-mail: suzhixj@sina.com

    2015-04-15

    Highlights: • High performance LVP/C synthesized by self-assembly microwave oven. • TEM showed the carbon layer is consisted of two kinds of concrete components. • The fast and efficient method make the process feasible commercially. - Abstract: The paper reports a microwave irradiation method to rapidly synthesize Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C materials as cathode for lithium ion batteries by the self-assembly microwave reaction oven with carbon seal reactor, using LiH{sub 2}PO{sub 4}, V{sub 2}O{sub 5} and sucrose as raw materials. Sucrose was used to be reducer and carbon source. Thermogravimetric (TG) analysis, X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM) were used to characterize its structure and morphology. Electrochemical properties of the Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C materials were studied by cyclic voltammetry (CV) and charge–discharge cycling performance. The results showed that the diffraction peaks of the sample correspond to a single-phase, and can be indexed as monoclinic structure with a space group of P2{sub 1}/n. An electrochemical test showed that Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C demonstrated an excellent electrochemical capacity of 138 mA h g{sup −1} at 0.2 C rate and 124.1 mA h g{sup −1} at 5 C rate with stable cycle ability.

  14. Densities and apparent molar volumes of HClO{sub 4}(aq) and Yb(ClO{sub 4}){sub 3}(aq) at elevated temperatures and pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hakin, Andrew W. E-mail: hakin@uleth.ca; Lukacs, Michael J.; Jin Lianliu

    2004-09-01

    Relative densities have been measured for acidified aqueous solutions of ytterbium perchlorate {l_brace}Yb(ClO{sub 4}){sub 3}{r_brace} at approximately T=(348.15, 373.15, 398.15, and 423.15) K and p=(10.0, 20.0, and 30.0) MPa over the concentration range 0.01624{<=}m{sub 2}/(mol {center_dot} kg{sup -1}) {<=} 0.2531 using an optically coupled vibrating tube densimeter (OCVTD). Experimental apparent molar volumes have been calculated from the density measurements, and apparent molar volumes for the aqueous perchlorate salt have been calculated using Young's rule. The application of Young's rule requires apparent molar volumes for aqueous perchloric acid (HClO{sub 4}) solutions over extended temperature and pressure ranges. These values were calculated from densities for aqueous HClO{sub 4} solutions that were measured using the OCVTD at the same temperatures and pressures as those used to investigate the density surface of the acidified aqueous Yb(ClO{sub 4}){sub 3} solutions. The temperature, pressure, and composition surfaces of the apparent molar volumes for Yb(ClO{sub 4}){sub 3}(aq) and HClO{sub 4}(aq) have been modelled using Pitzer ion-interaction equations. Apparent molar volumes at infinite dilution obtained from these models have been compared to those which can be calculated using the semi-empirical Helgeson, Kirkham, and Flowers equations of state. Values for the apparent molar volume at infinite dilution of the ytterbium trivalent cation have also been calculated using simple additivity principles.

  15. USPOREDNA ANALIZA VELIKIH VODA PROVEDENA UOBIČAJENIM METODAMA I METODOM GEMORFOLOŠKOG TRENUTNOG JEDINIČNOG HIDROGRAMA PRIMJENOM EBA4SUB PROGRAMA

    OpenAIRE

    Mulaomerović–Šeta, Ajla; Prskalo, Gordan; Lozančić, Željko; Petroselli, Andrea; Bakalović, Amina

    2017-01-01

    Problem određivanja hidrograma velikih voda jedan je od temeljnih problema u hidrotehničkoj praksi. Za definiranje hidrograma, odnosno njegovog vrha (pika), uobičajeno se koriste statističke metode godišnjih ekstrema i pikova, za koje je nužno raspolagati povijesnim podacima o protoku, zatim empirijski izrazi, te hidrološki modeli. U radu je prikazana primjena hidrološkog modela EBA4SUB (Event-Based Approach for Small Ungauged Basins) namijenjenog za definiranje hidrograma otjecanja na neizuč...

  16. Sorption properties and reversibility of Ti(IV) and Nb(V)-fluoride doped-Ca(BH{sub 4}){sub 2}-MgH{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Bonatto Minella, Christian, E-mail: christian.minella@kit.edu [Institute for Metallic Materials, IFW Dresden, Helmholtzstrasse 20, D-01069 Dresden (Germany); Technische Universität Dresden, D-01062 Dresden (Germany); Garroni, Sebastiano [Dipartimento di Chimica e Farmacia, Universitá di Sassari and INSTM, Via Vienna 2, I-07100 Sassari (Italy); Pistidda, Claudio [Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Zentrum für Material- und Küstenforschung GmbH, Max Planck Str. 1, D-21502 Geesthacht (Germany); Baró, Maria Dolors [Departament de Física, Universitat Autònoma de Barcelona, E-08193 Bellaterra (Spain); Gutfleisch, Oliver [Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 16, 64287 Darmstadt (Germany); Klassen, Thomas; Dornheim, Martin [Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Zentrum für Material- und Küstenforschung GmbH, Max Planck Str. 1, D-21502 Geesthacht (Germany)

    2015-02-15

    Highlights: • Faster desorption reaction for doped materials vs. the pure composite system. • Kinetic improvement concerning re-hydrogenation reaction showed by the addition of NbF{sub 5}. • Full characterization of the de-hydrogenation reaction pathway by means of both SR-PXD and {sup 11}B{"1H} MAS-NMR. • Study of the evolution of the chemical state of the additives upon both milling and sorption reactions. - Abstract: In the last decade, alkaline and alkaline earth metal tetrahydroborates have been the focuses of the research due to their high gravimetric and volumetric hydrogen densities. Among them, Ca(BH{sub 4}){sub 2} and the Ca(BH{sub 4}){sub 2} + MgH{sub 2} reactive hydride composites (RHC), were calculated to have the ideal thermodynamic properties which fall within the optimal range for mobile applications. In this study, the addition of NbF{sub 5} or TiF{sub 4} to the Ca(BH{sub 4}){sub 2} + MgH{sub 2} reactive hydride composite system was attempted aiming to obtain a full reversible system with the simultaneous suppression of CaB{sub 12}H{sub 12}. Structural characterization of the specimens was performed by means of in-situ Synchrotron Radiation Powder X-ray diffraction (SR-PXD) and {sup 11}B{"1H} Solid State Magic Angle Spinning-Nuclear Magnetic Resonance (MAS-NMR). The evolution of the chemical state of the Nb- and Ti-based additives was monitored by X-ray Absorption Near Edge Structure (XANES). The addition of NbF{sub 5} or TiF{sub 4} to the Ca(BH{sub 4}){sub 2} + MgH{sub 2} system have not suppressed completely the formation of CaB{sub 12}H{sub 12} and only a slight improvement concerning the reversible reaction was displayed just in the case of Nb-doped composite material.

  17. Neutron scattering investigations of the properties of the x - T phase diagram of Rb sub 1 sub - sub x (NH sub 4) sub x I mixed crystals

    CERN Document Server

    Smirnov, L S; Savenko, B N

    2002-01-01

    The x - T phase diagram of Rb sub 1 sub - sub x (NH sub 4) sub x I is studied using samples with the ammonium concentration 0.01

  18. (Pyridine)(tetrahydroborato)zinc complex, (Zn(BH{sub 4}){sub 2}(py)), as a new stable, efficient and chemoselective reducing agent for reduction of carbonyl compounds

    Energy Technology Data Exchange (ETDEWEB)

    Zeynizadeh, Behzad; Faraji, Fariba [Urima Univ., Urima (Iran, Islamic Republic of)

    2003-04-01

    (Pyridine)(tetrahydroborato)zinc complex, (Zn(BH{sub 4}){sub 2}(py)), as a stable white solid, was prepared quantitatively by complexation of an equimolar amount of zinc tetrahydroborate and pyridine at room temperature. This reagent can easily reduce variety of carbonyl compounds such as aldehydes, ketones, acyloins, {alpha}-diketones and {alpha},{beta}-unsaturated carbonyl compounds to their corresponding alcohols in good to excellent yields. Reduction reactions were performed in ether or THF at room temperature or under reflux conditions. In addition, the chemoselective reduction of aldehydes over ketones was accomplished successfully with this reducing agent.

  19. Photoluminescence properties of whitlockite-type Ca{sub 9}MgK(PO{sub 4}){sub 7}:Eu{sup 2+},Mn{sup 2+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Ning, E-mail: guoning@usst.edu.cn [Department of Chemistry, University of Shanghai for Science and Technology, Shanghai 200093 (China); Li, Shuo; Chen, Jishen; Li, Jing; Zhao, Yuefeng; Wang, Lu; Jia, Chengzheng; Ouyang, Ruizhuo [Department of Chemistry, University of Shanghai for Science and Technology, Shanghai 200093 (China); Lü, Wei [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2016-11-15

    Novel single-phased Eu{sup 2+}/Mn{sup 2+}-coactivated whitlockite-type Ca{sub 9}MgK(PO{sub 4}){sub 7} phosphors which can emit white light upon UV light excitation, are prepared by the solid-state method, and their luminescence properties are systematically investigated via a combination of X-ray powder diffraction and spectroscopy measurements. For Eu{sup 2+}–Mn{sup 2+} codoped samples, an efficient energy transfer process can takes place and its mechanism is a resonant type via a dipole-quadrupole interaction which can be elucidated by DexterГ—Віs theoretical model. Following the principle of energy transfer, myriad luminescence colors with a large gamut from blue to purplish red and across white zone in a line in the chromaticity diagram of the CIE can be obtained by simply adjusting the concentration ratio of Eu{sup 2+} to Mn{sup 2+}. Photoluminescence spectra reveal that the white color emission is originated from the combination of two emission bands of Eu{sup 2+} and Mn{sup 2+} ions. Additionally, their CIE chromaticity coordinates and correlated color temperatures (CCT) have been calculated and discussed in detail. The luminescence suggest that whitlockite-type phosphor, Ca{sub 9}MgK(PO{sub 4}){sub 7}, co-activated with europium and manganese, is a promising single-phased white-emitting candidate for use in ultraviolet-chip-based white LEDs.

  20. Crystal structure of vanuralite, Al[(UO{sub 2}){sub 2}(VO{sub 4}){sub 2}](OH) . 8.5H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Plasil, Jakub [Czech Academy of Sciences, Praha (Czech Republic). Inst. of Physics

    2017-07-01

    Vanuralite, Al[(UO{sub 2}){sub 2}(VO{sub 4}){sub 2}](OH) . 8.5H{sub 2}O, is a rare supergene uranyl vanadate that forms during hydration-oxidation weathering of uraninite in oxide zones of U deposits. On the basis of single-crystal X-ray diffraction data it is monoclinic, space group P2{sub 1}/n, with a = 10.4637(10), b = 8.4700(5), c = 20.527(2) Aa, β = 102.821(9) , V=1773.9(3) Aa{sup 3} and Z = 4, D{sub calc.} = 3.561 g cm{sup -3}. The structure of vanuralite (R = 0.058 for 2638 unique observed reflections) contains uranyl vanadate sheets of francevillite topology of the composition [(UO{sub 2}){sub 2}(VO{sub 4}){sub 2}]{sup 2-}. Sheets are stacked perpendicular to c, and an interstitial complex {sup [6]}Al(OH)(H{sub 2}O){sub 4}(H{sub 2}O){sub 4.5}; adjacent structural sheets are linked through an extensive network of hydrogen bonds. Vanuralite is the most complex mineral among uranyl vanadates, with 961 bits/cell. The scarcity of occurrences is probably caused by the less common combination of elements present in the structure, as well as the relatively high complexity of the structure (compared to related minerals), arising namely from the complicated network of H-bonds.

  1. Reversible white-purple photochromism in europium doped Sr{sub 3}GdLi(PO{sub 4}){sub 3}F powders

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Yang; Jin, Yahong, E-mail: yhjin@gdut.edu.cn; Wang, Chuanlong; Ju, Guifang; Xue, Feihong; Hu, Yihua, E-mail: huyh@gdut.edu.cn

    2017-06-15

    Inorganic photochromic materials have attracted growing attention in recent years. Here, a reversible white-purple photochromic powder material Sr{sub 3}GdLi(PO{sub 4}){sub 3}F:Eu{sup 2+} was synthesized by conventional solid-state method. The surface color shows reversible white-purple changes after irradiated alternatively by UV and visible light (or thermal treat). Diffuse reflectance spectra were used to characterize the photochromic properties including coloring and bleaching. The results indicated that the optimal Eu{sup 2+} doping concentration was found to be about 0.5 mol%. Several cycles measurements including photo- and thermal-induced bleaching indicates that Sr{sub 3}GdLi(PO{sub 4}){sub 3}F:Eu{sup 2+} posses high fatigue resistance in photochromism performance. Based on thermoluminescence curves, the photochromism property related factors that the critical role of traps and the motion of charge carriers between traps were discussed. Finally, a schematic diagram for illustrating the photochromic mechanism was proposed.

  2. Electrodeposition of Fe{sub 3}O{sub 4} layer from solution of Fe{sub 2}(SO{sub 4}){sub 3} with addition ethylene glycol

    Energy Technology Data Exchange (ETDEWEB)

    Dahlan, Dahyunir, E-mail: dahyunir@yahoo.com; Asrar, Allan [Department of Physics, Andalas University, Limau Manih Padang 25163, West Sumatera (Indonesia)

    2016-03-11

    The electrodeposition of Fe{sub 3}O{sub 4} layer from the solution Fe{sub 2}(SO{sub 4}){sub 3} with the addition of ethylene glycol on Indium Tin Oxide (ITO) substrate has been performed. The electrodeposition was carried out using a voltage of 5 volts for 120 seconds, with and without the addition of 2% wt ethylene glycol. Significant effects of temperature on the resulting the samples is observed when they are heated at 400 °C. Structural characterization using X-ray diffraction (XRD) shows that all samples produce a layer of Fe{sub 3}O{sub 4} with particle size less than 50 nanometers. The addition of ethylene glycol and the heating of the sample causes a shrinkage in particle size. The scanning electron microscopy (SEM) characterization shows that Fe{sub 3}O{sub 4} layer resulting from the process of electrodeposition of Fe{sub 2}(SO{sub 4}){sub 3} without ethylene glycol, independent of whether the sample is heated or not, is uneven and buildup. Layer produced by the addition of ethylene glycol without heating produces spherical particles. On contrary, when the layer is heated the spherical particles transform to irregularly-shaped particles with smaller size.

  3. Crystal chemistry of KCuMn{sub 3}(VO{sub 4}){sub 3} in the context of detailed systematics of the alluaudite family

    Energy Technology Data Exchange (ETDEWEB)

    Yakubovich, O. V., E-mail: yakubol@geol.msu.ru; Kiryukhina, G. V.; Dimitrova, O. V. [Moscow State University, Faculty of Geology (Russian Federation)

    2016-07-15

    The crystal structure of new manganese potassium copper vanadate KCuMn{sub 3}(VO{sub 4}){sub 3}, which was prepared by the hydrothermal synthesis in the K{sub 2}CO{sub 3}–CuO–MnCl{sub 2}–V{sub 2}O{sub 5}–H{sub 2}O system, was studied by X-ray diffraction (R = 0.0355): a = 12.396(1) Å, b = 12.944(1) Å, c = 6.9786(5) Å, β = 112.723(1)°, sp. gr. C2/c, Z = 4, ρ{sub calc} = 3.938 g/cm{sup 3}. A comparative analysis of the crystal-chemical features of the new representative of the alluaudite family and related structures of minerals and synthetic phosphates, arsenates, and vanadates of the general formula A(1)A(1)′A(1)″A(2)A(2)′M(1)M(2){sub 2}(TO{sub 4}){sub 3} (where A are sites in the channels of the framework composed of MO{sub 6} octahedra and TO{sub 4} tetrahedra) was performed. A classification of these structures into subgroups according to the occupancy of A sites is suggested.

  4. Layered ordering of vacancies of lead iron phosphate Pb{sub 3}Fe{sub 2}(PO{sub 4}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Malakho, A.P. [Moscow State Univ., Dept. of Material Science (Russian Federation); Morozov, V.A.; Pokholok, V.; Lazoryak, B.I. [Moscow State Univ., Dept. of Chemisty (Russian Federation); Morozov, V.A.; Van Tendeloo, G. [Antwerp Univ., EMAT (Belgium)

    2005-07-01

    Lead iron phosphate Pb{sub 3}Fe{sub 2}(PO{sub 4}){sub 4} has been synthesized by solid state method and characterized by X-ray powder and electron diffraction, differential scanning calorimetry, Moessbauer and infrared spectroscopy. A structural model for Pb{sub 3}Fe{sub 2}(PO{sub 4}){sub 4} is proposed and is refined by the Rietveld method. The compound crystallizes in the monoclinic space group P2{sub 1}/c with a=9.0065(6) Angstroms, b=9.0574(6) Angstroms, c=9.3057(6) Angstroms, {beta}=116.880(4) degrees, V=677.10(8) (Angstroms){sup 3}, Z=2, R{sub wp}=3.52%, R{sub p}=2.66%. It exhibits a structure with a three-dimensional open framework. The 3D framework is formed by PO{sub 4} tetrahedra and FeO{sub 6} octahedra connected via common vertices. 3/4 of cavities in the framework are occupied by lead and 1/4 are vacant. (authors)

  5. Investigations of the R5(SixGe1-x)4sub> Intermetallic Compounds by X-Ray Resonant Magnetic Scattering

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-08-18

    The XRMS experiment on the Gd5Ge4sub> system has shown that, below the Neel temperature, TN = 127 K, the magnetic unit cells is the same as the chemical unit cell. From azimuth scans and the Q dependence of the magnetic scattering, all three Gd sites in the structure were determined to be in the same magnetic space group Pnma. The magnetic moments are aligned along the c-axis and the c-components of the magnetic moments at the three different sites are equal. The ferromagnetic slabs are stacked antiferromagnetically along the b-direction. They found an unusual order parameter curve in Gd5Ge4sub>. A spin-reorientation transition is a possibility in Gd5Ge4sub>, which is similar to the Tb5Ge4sub> case. Tb5Ge4sub> possesses the same Sm5Ge4sub>-type crystallographic structure and the same magnetic space group as Gd5Ge4sub> does. The difference in magnetic structure is that Tb5Ge4sub> has a canted one but Gd5Ge4sub> has nearly a collinear one in the low temperature antiferromagnetic phase. The competition between the magneto-crystalline anisotropy and the nearest-neighbor magnetic exchange interactions may allow a 3-dimensional canted antiferromagnetic structure in Tb5Ge4sub>. The spin-reorientation transition in both Gd5Ge4sub> and Tb5Ge4sub> may arise from the competition between the magnetic anisotropy from the spin-orbit coupling of the conduction electrons and the dipolar interactions anisotropy.

  6. The reaction of Cs{sub 2}[Tc(NO)F{sub 5}] with BF{sub 3} in acetonitrile. Formation and structure of [{Tc(NO)(CH_3CN)_4}{sub 2}(μ-F)](BF{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Balasekaran, Samundeeswari Mariappan [Institute of Chemistry and Biochemistry, Freie Universitaet Berlin (Germany); Department of Chemistry, University of Nevada, Las Vegas, NV (United States); Hagenbach, Adelheid; Spandl, Johann; Abram, Ulrich [Institute of Chemistry and Biochemistry, Freie Universitaet Berlin (Germany)

    2017-10-04

    The deep blue, paramagnetic Cs{sub 2}[Tc{sup II}(NO)F{sub 5}] is formed during reactions of pertechnetate, acetohydroxamic acid, and CsF in aqueous HF. A reaction of Cs{sub 2}[Tc(NO)F{sub 5}] with BF{sub 3}.MeOH in acetonitrile gives yellow blocks of the fluorido-bridged dimer [{Tc"I(NO)(CH_3CN)_4}{sub 2}F](BF{sub 4}){sub 3}. The compound is stable as solid and in acetonitrile solutions. The complex cation contains a bent μ-F{sup -} ligand and two linear nitrosyl groups. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. NMR Studies of the Vanadium Spin Dynamics and Spin Structure in LiV2O4sub>, CaV2O4sub>, and (LixV1-x)3BO5 (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: LiV2O4sub>, (LixV1-x)3BO5, and CaV2O4sub>, which have completely different ground states.

  8. Specific features of the domain structure of (Gd sub 1-x Nd sub x ) sub 2 (MoO sub 4 ) sub 3 crystals. Osobennosti domennoj struktury kristallov (Gd sub 1-x Nd sub x ) sub 2 (MoO sub 4 ) sub 3

    Energy Technology Data Exchange (ETDEWEB)

    Bryzgalov, A N; Slepchenko, B M; Virachev, B P [Cherepovetskij Gosudarstvennyj Pedagogicheskij Inst., Cherepovets (USSR)

    1989-11-01

    Formation of the domain structures by sample transfer into thermodynamically metastable state using a simultaneous effect of electric field and temperature change is investigated in Gd{sub 1.7}Nd{sub 0.3}(MoO{sub 4}){sub 3} monocrystals (GMO). Some new results obtained under investigations into GMO domain structure using neodymium by means of hydrothermal etching and polarization-optical method are presented.

  9. Accessing alkali-free NASICON-type compounds through mixed oxoanion sol–gel chemistry: Hydrogen titanium phosphate sulfate, H{sub 1−x}Ti{sub 2}(PO{sub 4}){sub 3−x}(SO{sub 4}){sub x} (x=0.5–1)

    Energy Technology Data Exchange (ETDEWEB)

    Mieritz, Daniel; Davidowski, Stephen K.; Seo, Dong-Kyun, E-mail: dseo@asu.edu

    2016-10-15

    We report a direct sol–gel synthesis and characterization of new proton-containing, rhombohedral NASICION-type titanium compounds with mixed phosphate and sulfate oxoanions. The synthetic conditions were established by utilizing peroxide ion as a decomposable and stabilizing ligand for titanyl ions in the presence of phosphates in a strong acidic medium. Thermogravimetric analysis (TGA), powder X-ray diffraction (PXRD), induction-coupled plasma optical emission spectroscopic (ICP-OES) elemental analysis, and Raman and {sup 1}H magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopic studies have determined the presence of sulfate and proton ions in the structure, for which the compositional range has been found to be H{sub 1−x}Ti{sub 2}(PO{sub 4}){sub 3−x}(SO{sub 4}){sub x} (x=0.5–1). The particulate products exhibit a nanocrystalline nature observed through characterization with scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The N{sub 2} sorption isotherm measurements and subsequent Brunauer–Emmett–Teller (BET) and Barrett–Joyner–Halenda (BJH) analyses confirmed the presence of the textural meso- and macropores in the materials. Future studies would determine the potential of the new compounds in various applications as battery materials, proton conductors and solid acid catalysts. - Graphical abstract: A series of proton-containing NASICON-type compounds, H{sub 1−x}Ti{sub 2}(PO{sub 4}){sub 3−x}(SO{sub 4}){sub x} (x=0.5–1), were discovered through a new sol–gel synthetic method that utilizes peroxide ion as a decomposable and stabilizing ligand for titanyl ions in the presence of phosphates in a strong acidic medium.

  10. Considerable photoluminescence enhancement of LiEu(MoO{sub 4}){sub 2} red phosphors via Bi and/or Si doping for white LEDs

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qing-Feng [Department of Materials Science and Engineering, Harbin Institute of Technology Shenzhen Graduate School, Shenzhen, Guangdong 518055 (China); Department of Materials Science and Engineering, South University of Science and Technology of China, Shenzhen, Guangdong 518055 (China); Liu, Ying [Department of Materials Science and Engineering, South University of Science and Technology of China, Shenzhen, Guangdong 518055 (China); Wang, Yu [Department of Physics and Materials Science, City University of Hong Kong, Hong Kong Special Administrative Region (Hong Kong); Wang, Wenxi; Wan, Yi [Department of Materials Science and Engineering, South University of Science and Technology of China, Shenzhen, Guangdong 518055 (China); Wang, Gui-Gen [Department of Materials Science and Engineering, Harbin Institute of Technology Shenzhen Graduate School, Shenzhen, Guangdong 518055 (China); Lu, Zhou-Guang [Department of Materials Science and Engineering, South University of Science and Technology of China, Shenzhen, Guangdong 518055 (China)

    2015-03-15

    Graphical abstract: Doping of Bi and Si into the lattice leads to an considerable increase of the excitation efficiency and luminous intensity, and obvious movement of the CIE chromaticity coordinates to the NTSC standard values of the LiEu(MoO{sub 4}){sub 2}, a promising red phosphors suitable for near UV excited white-light emitting diodes. - Highlights: • High performance red phosphors for near UV light excited white LEDs. • Lithium lanthanide molybdate red phosphors. • Bi and Si substitution. • Considerable enhancement of luminescence intensity and excitation efficiency. • CIE chromaticity coordinates very close to the NTSC standard values. - Abstract: Novel Bi and/or Si substituted LiEu(MoO{sub 4}){sub 2} phosphors, where Bi was used as sensitizer to enhance the emission intensity and Si was used as substitution to improve the excitation efficiency, were prepared using the sol–gel method, and the photoluminescent properties of the resulting phosphors were intensively investigated. All samples can be excited efficiently by UV (395 nm) light and emit bright red light at 614 nm, which are coupled well with the characteristic emission from a UV-LED. In the Bi{sup 3+}-doped samples, the intensities of the main emission line ({sup 5}D{sub 0}–{sup 7}F{sub 2} transition at 614 nm) are strengthened because of the energy transition from Bi{sup 3+} to Eu{sup 3+}. With the substitution of Mo{sup 4+} by Si{sup 4+}, there are no significant changes in the emission peak positions, but the emission intensity was significantly enhanced under 395 nm excitation. Particularly, the LiEu{sub 0.9}Bi{sub 0.1}(Mo{sub 0.97}Si{sub 0.03}O{sub 4}){sub 2} phosphor doped with both Bi and Si demonstrates superior comprehensive photoluminescence properties with an excellent combination of easy excitation in the near UV range, bright emission intensity, high PL quantum efficiency as well as suitable decay time, which are very suitable for application as red phosphor for near UV

  11. Study of TL and optically stimulated luminescence of K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}:Cu nanophosphor for radiation dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Mandlik, Nandkumar [Department of Physics, University of Pune, Pune 411007 (India); Department of Physics, Ferguson College, Pune 411004 (India); Sahare, P.D. [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Kulkarni, M.S. [Radiological Physics and Advisory Division, BARC, Mumbai 400085, Maharashtra (India); Bhatt, B.C. [Radiation Safety Systems Division, BARC, Mumbai 400085, Maharashtra (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Pune 411007 (India); Dhole, S.D., E-mail: sanjay@physics.unipune.ac.in [Department of Physics, University of Pune, Pune 411007 (India)

    2014-02-15

    Nanocrytstalline K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}:Cu phosphor was synthesized by the chemical co-precipitation method and annealed at different temperatures (400–900 °C) for 2 h. The XRD spectrum shows the cubic structure with crystallite size ∼20 nm. The same was also confirmed from the TEM image which shows the formation of nanorods having diameter ∼20 nm and length of ∼200 nm. They are found to be quite uniform in shapes and sizes. These samples were irradiated with gamma radiation for the doses varying from 0.01 Gy to 10 kGy and their thermoluminescence (TL) characteristics and continuous wave optically stimulated luminescence (CW-OSL) have been studied. The sample annealed at 700 °C was found to be most sensitive than others. The glow curves of the nanophosphor show a major peak at around 175 °C and other two peaks of low intensity at around 85 °C and 305 °C. The traps responsible for the three thermoluminescence peaks in K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}:Cu are also found to be sensitive to the OSL. The qualitative correlation between TL peaks and CW-OSL response is established. The TL response of the sample annealed at 700 °C for 2 h and irradiated with different gamma doses shows a linear behavior from 0.01 up to 300 Gy and become sublinear in the range of 300 Gy–1 kGy before it saturates with further increase in the dose, while, the OSL response of the same sample shows linearity up to 1 kGy. Simple glow curve structure, easy method of synthesis, and linear dose response make the nanocrystalline phosphor a good candidate for radiation dosimetry, especially for the estimation of high doses of gamma rays where the microcrystalline phosphors generally saturate. -- Highlights: • Nanocrytstalline K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}:Cu phosphor was synthesized by the chemical co-precipitation method. • Thermoluminescence (TL) and continuous wave optically stimulated luminescence (CW-OSL) characteristics have been studied. • The TL glow

  12. Caracterización microestructural del compuesto intermetálico AI7Cu4sub>Ni

    Directory of Open Access Journals (Sweden)

    Herrera, R.

    2004-04-01

    Full Text Available A study of the microstructural characterization of the intermetallic compound Al7Cu4sub>Ni was carried out. The intermetallic compound was fabricated using the melting and casting process followed by a homogenization treatment at 750 °C for 240 h. The structural evolution during homogenizing was analyzed by X-ray diffraction. The microstructure of intermetallic compound was also characterized by scanning electron and transmission electron microscopies. Additionally, the microhomogeneity of this compound was studied by the Energy Dispersive and Wavelength Dispersive Spectroscopy. The results of this work showed that it was possible to obtain the intermetallic compound with the crystalline structure and at the composition reported in the literature. Besides, this compound showed a good chemical microhomogeneity, which makes it a possible candidate as a material reference for either microanalysis or hardness testing.

    Se llevó a cabo un estudio de caracterización microestmctural del compuesto intermetálico AI7Cu4sub>Ni, que se fabricó por fusión y moldeo y un posterior recocido de homogeneización a 750 °C, durante 480 h. La evolución estructural durante el recocido de homogeneización se siguió por difracción de rayos X. La microestructura se caracterizó por microscopía electrónica de barrido y transmisión. Asimismo, se estudió la microhomogeneidad química del compuesto intermetálico, utilizando las técnicas de microanálisis de dispersión de energía y de longitud de onda de rayos X. Los resultados verificaron que es posible obtener el compuesto intermetálico AI7Cu4sub>Ni con la estructura cristalina y en la composición reflejada en la literatura. Además, su buena microhomegeneidad química sugiere su posible aplicación como un material de referencia para la técnica de microanálisis o el ensayo de dureza.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-07-15

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

  14. Spin structures of S = 5/2 antiferromagnetic triangular lattices: AAg{sub 2}M[VO{sub 4}]{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, Angela; Amuneke, Ngozi E.; Tapp, Joshua [Department of Chemistry and TcSUH, University of Houston (United States); Cruz, Clarina R. de la [Quantum Condensed Matter Division, ORNL, Oak Ridge (United States)

    2015-07-01

    The AAg{sub 2}M[VO{sub 4}]{sub 2} compounds present a unique series for studying structure-property relationships. The size of the A cation (Ba{sup 2+}, K{sup +}, Rb{sup +}, or Ag{sup +}) controls (i) the inter-layer distances between the magnetic triangular lattices (M, here Mn{sup 2+} or Fe{sup 3+}) and (ii) the distortion of the non-magnetic vanadate units. The crystal and magnetic structures were refined from neutron diffraction data under applied fields (ORNL, HB2A) and reveal the complex magnetic phase diagrams of frustrated S=5/2 triangular lattices with axial and XY-anisotropy, respectively.

  15. Anion- or Cation-Exchange Membranes for NaBH4sub>/H2O2 Fuel Cells?

    Directory of Open Access Journals (Sweden)

    César A. C. Sequeira

    2012-07-01

    Full Text Available Direct borohydride fuel cells (DBFC, which operate on sodium borohydride (NaBH4sub> as the fuel, and hydrogen peroxide (H2O2 as the oxidant, are receiving increasing attention. This is due to their promising use as power sources for space and underwater applications, where air is not available and gas storage poses obvious problems. One key factor to improve the performance of DBFCs concerns the type of separator used. Both anion- and cation-exchange membranes may be considered as potential separators for DBFC. In the present paper, the effect of the membrane type on the performance of laboratory NaBH4sub>/H2O2 fuel cells using Pt electrodes is studied at room temperature. Two commercial ion-exchange membranes from Membranes International Inc., an anion-exchange membrane (AMI-7001S and a cation-exchange membrane (CMI-7000S, are tested as ionic separators for the DBFC. The membranes are compared directly by the observation and analysis of the corresponding DBFC’s performance. Cell polarization, power density, stability, and durability tests are used in the membranes’ evaluation. Energy densities and specific capacities are estimated. Most tests conducted, clearly indicate a superior performance of the cation-exchange membranes over the anion-exchange membrane. The two membranes are also compared with several other previously tested commercial membranes. For long term cell operation, these membranes seem to outperform the stability of the benchmark Nafion membranes but further studies are still required to improve their instantaneous power load.

  16. Reduced graphene oxide and Fe{sub 2}(MoO{sub 4}){sub 3} composite for sodium-ion batteries cathode with improved performance

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Yubin [Institute for Clean Energy & Advanced Materials, Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Chongqing Key Laboratory for Advanced Materials and Technologies of Clean Energies, Chongqing 400715 (China); Xu, Maowen, E-mail: xumaowen@swu.edu.cn [Institute for Clean Energy & Advanced Materials, Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Chongqing Key Laboratory for Advanced Materials and Technologies of Clean Energies, Chongqing 400715 (China)

    2016-07-25

    Fe{sub 2}(MoO{sub 4}){sub 3}@reduced graphene oxide (FMO@rGO) composite have been synthesized by precipitation-hydrothermal method. Herein, the graphene oxide in the present synthesis acts not only as baffles between particle and particle that helps to prevent the increase of particle size, but also as conductive networks after hydrothermal treatment, providing high electronic conductivity between particle and particle. The special surface area of the as-prepared materials significantly increases from 19.738 m{sup 2} g{sup −1} (FMO) to 51.401 m{sup 2} g{sup −1} (FMO@rGO), which undoubtedly provide more interface area between the active materials and the electrolyte. As a cathode material for sodium-ion batteries, the FMO@rGO composite delivers high discharge capacity at 0.5 C, which is comparable to theoretical capacity and literatures, and impressive rate performance. As the current density is at 5 C, for the first time, the initial specific capacity of FMO@rGO composite is about 68.2 mAh g{sup −1}, and it remains 56.5 mAh g{sup −1} after 100 cycles, of which the excellent electrochemical performance is mainly attributed to good conductivity, high specific surface area and significantly enhanced diffusion coefficient. - Highlights: • Fe{sub 2}(MoO{sub 4}){sub 3}@reduced graphene oxide composite have been synthesized by hydrothermal method. • The obtained materials reveal large discharge capacity, outstanding rate performance and good stability. • The enhancement mechanism was explored.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-15

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

  18. Synthesis and crystal structure of the cesium silver permanganate Cs{sub 3}Ag[MnO{sub 4}]{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Bauchert, Joerg M.; Henning, Harald; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany)

    2012-09-15

    After successful syntheses and structural refinements of the already known permanganates of cesium (Cs[MnO{sub 4}]) and silver (Ag[MnO{sub 4}]) we started to blend aqueous solutions of both components in various molar ratios. From crystallization experiments of these mixtures only three species of crystals with different chemical compositions were obtained: tricesium monosilver tetrakispermanganate (Cs{sub 3}Ag[MnO{sub 4}]{sub 4}) and, depending upon the respective ratio, either additional silver permanganate or surplus cesium permanganate, namely. The new title compound crystallizes in the orthorhombic space group Pnnm (no. 58) with two formula units per unit cell and cell dimensions of a = 764.53(4), b = 1883.57(9) and c = 584.34(3) pm. The crystal structure of Cs{sub 3}Ag[MnO{sub 4}]{sub 4} consists of two crystallographically distinguishable cesium cations. (Cs1){sup +} is surrounded by fourteen oxygen atoms constructing a slightly distorted bicapped hexagonal prism. These polyhedra are connected through edge-sharing with two other polyhedra of this kind to form chains along [001]. The chains are linked to each other via sixfold coordinated Ag{sup +} cations (d(Ag-O) = 238-246 pm), arranged in such a manner that they link three oxygen atoms of two cesium polyhedra, leading to a two-dimensional layer spreading out parallel to the (001) plane. Together with the two crystallographically different tetrahedral oxomanganate(VII) anions [MnO{sub 4}]{sup -} (d(Mn-O) = 161-162 pm) the other kind of cesium cations ((Cs2){sup +} with CN = 13) finally connect these layers three-dimensionally. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Fatiga oligocíclica de la aleación Ti6Al4sub>V nitrurada termoquímicamente

    Directory of Open Access Journals (Sweden)

    Rodríguez, D.

    2001-04-01

    Full Text Available The use of titanium and its alloys in applications with the presence of friction is limited, due to low hardness and reduced tribological properties. Some surface treatments are available in order to correct these problems, like the thermal surface treatment by means of nitrogen gaseous diffusion at high temperature. Nitrogen enters into the material by diffusion, creating a surface layer of increased hardness. Oligocyclic fatigue behaviour in air of Ti6Al4sub>V alloy has been studied. Results show a reduction of oligocyclic fatigue loads up to 10 % compared to the not-treated material. Studies suggest it is not related to the titanium nitride surface layer, but to microstructural changes caused by the high temperature treatment.

    El uso del titanio y sus aleaciones en aplicaciones con existencia de fricción es limitado, debido a su baja dureza y malas propiedades tribológicas. Existen diversos tratamientos superficiales capaces de corregir dichos problemas, como el tratamiento térmico superficial mediante difusión gaseosa del nitrógeno a alta temperatura. El nitrógeno penetra en el material a tratar por difusión, formando una capa superficial de elevada dureza. Se ha estudiado el comportamiento a fatiga oligocíclica en aire del Ti6Al4sub>V nitrurado. Los resultados muestran una disminución de la resistencia a fatiga oligocíclica de hasta un 10 % respecto al material sin nitrurar. Los estudios sugieren que se debe a cambios en la microestructura causados por el tratamiento a altas temperaturas, y no por la capa superficial de nitruros de titanio.

  20. Facile synthesis technology of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C adding H{sub 2}O{sub 2} in ball mill process

    Energy Technology Data Exchange (ETDEWEB)

    Min, Xiujuan [MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, Harbin Institute of Technology, School of Chemistry and Chemical Engineering, Harbin 150001 (China); Mu, Deying [MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, Harbin Institute of Technology, School of Chemistry and Chemical Engineering, Harbin 150001 (China); Department of Environmental Engineering, Harbin University of Commerce, Harbin 150076 (China); Li, Ruhong [MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, Harbin Institute of Technology, School of Chemistry and Chemical Engineering, Harbin 150001 (China); Dai, Changsong, E-mail: changsd@hit.edu.cn [MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, Harbin Institute of Technology, School of Chemistry and Chemical Engineering, Harbin 150001 (China)

    2016-11-15

    Highlights: • Sintering time of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} reduced to 6 hours by adding hydrogen peroxide. • Electrochemical performance of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} was improved by reducing sintering time. • The Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} production process was simplified during material synthesis stage. - Abstract: Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C has stable structure, high theory specific capacity and good safety performance, therefore it has become the research focus of lithium-ion batteries in recent years. The facile synthesis technology of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C was characterized by adding different amounts of H{sub 2}O{sub 2}. Structure and morphology characteristics were examined by XRD, TG, Raman Spectroscopy, XPS and SEM. Electrochemical performance was investigated by constant current charging and discharging test. The results revealed that the Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C electrochemical performance of adding 15 mL H{sub 2}O{sub 2} was better after sintering during 6 h. At the charge cut-off voltage of 4.3 V, the first discharge capacity at 0.2 C rate reached 127 mAh g{sup −1}. Because of adding H{sub 2}O{sub 2} in the ball-mill dispersant, the vanadium pentoxide formed the wet sol. The molecular-leveled mixture increased the homogeneity of raw materials. Therefore, the addition of H{sub 2}O{sub 2} shortened the sintering time and significantly improved the electrochemical performance of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C.

  1. Treatment by (N H{sub 4}){sub 2} Si F{sub 6} of hydrothermally stabilized Y zeolite: NMR, infrared and atomic absorption monitoring; Tratamento por (NH4){sub 2} SiF{sub 6} de zeolito Y estabilizado hidrotermicamente: monitoramento por RMN, IV e A.A

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Ruth L; Camorim, Vera L.D.D.; Menezes, Sonia M.C. de [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    1992-12-31

    The kinetics of NFA leaching of a hydrothermal treated Y zeolite was determined by using AAS, IR and NMR techniques. It was observed first order with respect to NFA onto intra crystalline volume. The transformation of octahedral Aluminium into mainly tetrahedral species was observed at the first contact with the fluorinated reagent,being leached as NM{sub 4} Al F{sub 4} and, in a less amount, as (N H{sub 4}){sub 3} Al F{sub 6}. (author) 4 refs., 5 figs., 1 tab.

  2. Ultra-short-period W/B4sub>C multilayers for x-ray optics-microstructure limits on reflectivity

    Energy Technology Data Exchange (ETDEWEB)

    Walton, Christopher Charles [Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering

    1997-12-01

    Multilayer thin films are used as Bragg reflectors for soft x-rays in the energy range 50eV < E < 1000eV in many x-ray optics applications such as x-ray microscopes and telescopes, reducing optics for extreme ultraviolet (EUV) lithography, and x-ray polarizers and phase retarders. Applications often depend critically on reflectivity, which has not been systematically characterized for multilayer periods below 20Å. For this study, W/B4sub>C multilayers were fabricated by magnetron sputtering on Si(111), with periods from 48Å to as little as 4.7Å. The x-ray reflectivity measured at λ = 1.54Å and at 45° incidence (289 eV < E < 860 eV) was found to decrease sharply for multilayer periods less than 15-20Å. Examination by high-resolution transmission electron microscopy (HRTEM) showed an expansion of the thickness of the W-rich layers of 30-40% from the nominal values, consistent with intermixture of the two materials during sputter growth, and discontinuous W-rich layers for multilayer periods below about 15Å. The experimental data for the specular reflectivity in the hard and soft x-ray regimes and the diffuse scattering fit well to a model of multilayer roughness. The model is expressed as a power-law dependence of roughness on spatial frequency. Analysis of small-angle scattering in transmission from multilayers grown on freestanding Si3N4sub> membranes confirms the onset of discontinuity at periods between 14Å and 22Å. Spectroscopy studies by x-ray absorption (NEXAFS) and electron energy loss (EELS) at the boron K-edge (188eV) are consistent with changes in the average boron bonding environment, as the multilayer period decreases and the W-rich layers are increasingly thin and dispersed. A discrete W-rich phase is present for periods at least as small as 6.3Å.

  3. Luminescence characterization of sol-gel derived Pr{sup 3+} doped NaGd(WO{sub 4}){sub 2} phosphors for solid state lighting applications

    Energy Technology Data Exchange (ETDEWEB)

    Durairajan, A., E-mail: durairajan.a@gmail.com [Crystal Growth Centre, Anna University, Chennai, 600025 (India); I3N-Aveiro, Department of Physics, University of Aveiro, Aveiro, 3810 193 (Portugal); Thangaraju, D. [Research Institute of Electronics, Shizuoka University, 3-5-1 Johoku, Hamamatsu, Shizuoka, 432-8011 (Japan); Moorthy Babu, S. [Crystal Growth Centre, Anna University, Chennai, 600025 (India); Valente, M.A. [I3N-Aveiro, Department of Physics, University of Aveiro, Aveiro, 3810 193 (Portugal)

    2016-08-15

    In the present work, xPr{sup 3+}:NaGd(WO{sub 4}){sub 2} (0.5 ≤ x ≤ 5.0 mol%) sub-micron phosphors were synthesised by sol-gel method. Low cost precursors of metal nitrates and low temperature thermal treatment was used compared to conventional solid state reaction. The formation of highly crystalline phosphors with tetragonal structure was confirmed by XRD and increase of Pr{sup 3+} ions content in host matrix leads to expansion of the unit cell volume. The surface morphology, size and particle distribution of the phosphors were observed by field emission scanning electron microscopy (FE-SEM). A rectangular shape particle with a size distribution ranging from 400 to 600 nm and tightly packed surface was seen in FE-SEM micrographs. The various internal and external phonon modes vibration corresponding to double tungstate structure was observed in Raman spectra. The optical properties of the synthesised phosphors were explored by ultraviolet visible (UV–Vis) absorption in diffuse reflectance and photoluminescence (PL) measurements. UV–Vis measurements distinguished the host and Pr{sup 3+} absorption and also reveal an increase in optical band gap values with an increase of Pr{sup 3+}. The PL measurements show various emissions from green and red regions under 450 nm. The maximum intensity emission at 489 nm is due to {sup 3}P{sub 0} → {sup 3}H{sub 4} transition of Pr{sup 3+}. From the maximum emission the critical doping concentration was calculated to be at 3.5 mol% and critical distance between two adjacent Pr{sup 3+} ions as 20.43 Å. - Highlights: • A sol-gel method was used to prepare Pr{sup 3+} doped NaGd(WO{sub 4}){sub 2} at low temperature. • Structural, spectroscopic, morphological, and optical and luminescence properties were studied. • The praseodymium ions are in trivalent state, the site symmetry is distorted and S{sub 4} local symmetry with Na{sup +} ions. • Strong green emission was observed under UV and visible excitation.

  4. Fundamental water experiment on subassembly with porous blockage in 4 sub-channel geometry. Influence of flow on temperature distribution in the porous blockage

    International Nuclear Information System (INIS)

    Tanaka, Masa-aki; Kobayashi, Jun; Isozaki, Tadasi; Nishimura, Motohiko; Kamide, Hideki

    1998-03-01

    In the liquid metal cooled Fast Breeder Reactor, Local Fault incident is recognized as a key issue of the local subassembly accident. In terms of the reactor safety assessment, it is important to predict the velocity and temperature distributions not only in the fuel subassembly but also in the blockage accurately to evaluate the location of the hottest point and the maximum temperature. In this study, the experiment was performed with the 4 sub-channel geometry water test facility. Dimension is five times larger than that of a real FBR. The porous blockage is located at the center sub-channel in the test section and surrounded with three unplugged sub-channels. The blockages used in this study were, the solid metal, the porous medium consisted of metal spheres, the porous blockage with end plates covering the side or top faces of the blockage to prevent the horizontal and axial flows into the blockage. The experimental parameters were the heater output provided by the electrical heater in the simulated fuel pins and the flow rate. Temperature of the fluid was measured inside/outside the blockage and velocity profiles outside the blockage were measured. (J.P.N.)

  5. Biological reduction-deposition and luminescent properties of nanostructured CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) and CePO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xiaoniu [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Research Institute of Green Construction Materials, Southeast University, Nanjing 211189 (China); Qian, Chunxiang, E-mail: cxqian@seu.edu.cn [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Research Institute of Green Construction Materials, Southeast University, Nanjing 211189 (China)

    2016-03-01

    Nano-sized CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) and CePO{sub 4} with hexagonal phase have been prepared by simply varying the reactant P/Ce molar ratio in bacterial liquid. The phase composition of two samples was checked via Fourier transform infrared spectroscopy (FTIR), energy dispersive analysis of X-rays (EDS) and X-ray diffraction (XRD) analyses, displaying the presence of CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) and CePO{sub 4} with average crystallite size are 32.34 and 15.61 nm, respectively. The scanning electron microscopy (SEM) images show that nano-clusters and sphere-like in shape with a narrow diameter distribution were observed in two samples. The transmission electron microscopy (TEM) photographs further indicate obtained CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) and CePO{sub 4} nanoparticles correspond to nanosheets and nanorods, respectively. The emission spectra of CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) and CePO{sub 4} display a broad band of 300–380 nm range with the strongest emission at 342 nm in the violet region. - Highlights: • A new method was found to synthesize CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) and CePO{sub 4} nanoparticles. • CePO{sub 4}@NaCe(SO{sub 4}){sub 2}(H{sub 2}O) nanoparticles have good luminescent properties. • Size and luminescent properties of two samples have been studied and compared.

  6. Photoluminescence properties of blue light excited Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2}:Eu{sup 3+} red phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Yongzheng; Liu, Fengxin; Hou, Jingshan; Zhang, Yan; Zheng, Xinfeng; Zhang, Na [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China); Zhao, Guoying, E-mail: zhaogy135@sit.edu.cn [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China); Liao, Meisong [Key Laboratory of Materials for High Powder Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Dai, Guozhang; Long, Mengqiu [School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Liu, Yufeng, E-mail: yfliu@mail.sitp.ac.cn [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China)

    2016-09-15

    A series of red emitting Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2}:xEu{sup 3+} (0≤x≤0.4) phosphors were synthesized by the conventional solid state reaction, and their photoluminescence properties were investigated in this work. Upon excitation of blue light, the Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2}:xEu{sup 3+} phosphors exhibit strong red emission at 616 nm, which corresponds to the dominant transition of Eu{sup 3+} ions in Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2} host, originating from the electric dipole transition {sup 5}D{sub 0}–{sup 7}F{sub 2}. Moreover, Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2}:0.3Eu{sup 3+} phosphor shows more intense photoluminescence than that of other phosphors, where the concentration of Eu{sup 3+} ion is not equal to 0.3. The CIE chromaticity coordinate (0.657, 0.343) of Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2}:0.3Eu{sup 3+} phosphor is close to National Television Standard Committee standard value (0.670, 0.330) of red phosphors, which indicates Ca{sub 8}La{sub 2}(PO{sub 4}){sub 6}O{sub 2}:0.3Eu{sup 3+} is potential to apply in white light-emitting diodes as an excellent red emitting phosphor.

  7. Thermoluminescence study of K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}:Cu nanophosphor for gamma ray dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Mandlik, Nandkumar [Department of Physics, University of Pune, Ganeshkhind, Pune 411007 (India); Department of Physics, Fergusson College, Pune 411004 (India); Sahare, P.D. [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Patil, B.J. [Department of Physics, University of Pune, Ganeshkhind, Pune 411007 (India); Department of Physics, Abasaheb Garware College, Pune 411004 (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Ganeshkhind, Pune 411007 (India); Dhole, S.D., E-mail: sanjay@physics.unipune.ac.in [Department of Physics, University of Pune, Ganeshkhind, Pune 411007 (India)

    2013-11-15

    Nanocrystalline K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}:Cu was synthesized by chemical coprecipitation method and annealed at 700 °C. XRD of this sample shows the cubic structure and the crystallite size ∼20 nm. The same was also confirmed with TEM and shows the formation of nanorods of quite uniform in shape having diameter ∼20 nm and length in the range of 200 nm. The FTIR spectrum exhibits the bands corresponding to sulphate anions around 1015 and 600 cm{sup −1}. These samples were irradiated with gamma radiation for the dose varying from 0.1 Gy to 50 kGy and their TL characteristics have been studied. The glow curves of the pristine samples consists of two peaks one at around 139 °C while another one around 185 °C while the glow curve of samples annealed at 700 °C show a major peak at around 165 °C and other two peaks of low intensity at around 300 °C and 390 °C. The change in glow curve structures around 700 °C is due to the phase transition (from orthorhombic P2{sub 1}2{sub 1}2{sub 1}to cubic P2{sub 1}3 phase). The energy levels (trapping levels) get reorganized due to phase transition after the phase transition temperature (260 °C) and remain the same at higher temperatures (700 °C). TL dose response shows a linear behavior up to 1 kGy and further saturates with increase in the dose. Simple glow curve structure, easy method of synthesis, linear dose response and low fading make the nanocrystalline phosphor a good candidate for radiation dosimetry and especially, for the estimation of high doses of gamma rays where the microcrystalline phosphors generally saturate.

  8. The influence of fluorine on the structures and properties of Pr sub 2 sub - sub x Sr sub x CuO sub 4 sub - sub y (x = 0.0, 0.4, 1.0)

    CERN Document Server

    Yang Jin Ling; Tang Wei Hua; Rao Guang Hui; Liang Jing Kui; Jin Duo

    1997-01-01

    Introducing F into the lattices of the copper oxides Pr sub 2 CuO sub 4 , Pr sub 1 sub . sub 6 Sr sub 0 sub . sub 4 CuO sub 4 and PrSrCuO sub 4 sub - sub y is accomplished via a low-temperature fluorination reaction using CuF sub 2 as the fluorinating reagent. The oxyfluorides retain the structures of their precursors, but striking lattice expansions are observed. No trace of SrF sub 2 was detected in the fluorinated products. F doping was successfully used to induce superconductivity in the oxyfluoride PrSrCu(O, F) sub 4 sub - subdelta (T sub c = 15 K) with a reduced CuO sub 2 plane and in the presence of apical anions, but failed to optimize the carrier density and induce superconductivity in Pr sub 2 CuO sub 4 sub - sub x F sub x and Pr sub 1 sub . sub 6 Sr sub 0 sub . sub 4 CuO sub 4 sub - sub x F sub x. (author)

  9. Ionic conductivity of the lithium titanium phosphate (Li/sub 1+x/M/sub x/Ti/sub 2-x/(PO/sub 4/)/sub 3/, M=Al, Sc, Y, and La) systems

    International Nuclear Information System (INIS)

    Aono, H.; Sugimoto, E.; Sadaaka, Y.; Imanaka, N.; Adachi, G.Y.

    1989-01-01

    High lithium ionic conductivity was obtained in Li/sub 1+X/M/sub X/Ti/sub 2-X/(PO/sub 4/)/sub 3/ (M=Al, Sc, Y, and La) systems. Lithium titanium phosphate, LiTi/sub 2/(PO/sub 4/)/sub 3/, is composed of both TiO/sub 6/ octahedra and PO/sub 4/ tetrahedra, which are linked by corners to form a three dimensional network, with a space group R3-barC. Some workers have already described that the conductivity increased considerably if Ti/sup 4+/ in LiTi/sub 2/(PO/sub 4/)/sub 3/ was substituted by slightly larger cations such as Ga/sup 3+/(1),Sc/sup 3+/(2), and In/sup 3+/(3,4). These results are similar to each other because of their close ionic radii. In this communication, substitution effects of Ti/sup 4+/ in LiTi/sub 2/(PO/sub 4/)/sub 3/ by various ions (Al/sup 3+/, Sc/sup 3+/, Y/sup 3+/, and La/sup 3+/) on their conductivities are reported

  10. Synthesis, luminescent properties and white light emitting diode application of Ba{sub 7}Zr(PO{sub 4}){sub 6}:Eu{sup 2+} yellow-emitting phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chenxia; Dai, Jian [College of Optical and Electronic Technology, China Jiliang University, Hangzhou 310018 (China); Deng, Degang, E-mail: dengdegang@cjlu.edu.cn [College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Shen, Changyu [College of Optical and Electronic Technology, China Jiliang University, Hangzhou 310018 (China); Xu, Shiqing, E-mail: sxucjlu@163.com [College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China)

    2015-10-15

    A yellow-emitting phosphor, Eu{sup 2+}-activated Ba{sub 7}Zr(PO{sub 4}){sub 6} phosphor was synthesized by solid-state reaction method and the luminescence properties were investigated. The phosphor exhibited strong absorption in near ultraviolet (n-UV) region, which matched well with the n-UV chip. Upon excitation at 370 nm, the Ba{sub 7}Zr(PO{sub 4}){sub 6}:Eu{sup 2+} phosphor has a broad yellow emission band with a peak at 585 nm and a full width at half maximum of 178 nm wider than that of the commercial yellow-emitting YAG:Ce{sup 3+} phosphor. The mechanism of concentration quenching of Eu{sup 2+} ions in Ba{sub 7}Zr(PO{sub 4}){sub 6} phosphor is verified to be energy transfer among the nearest neighbor Eu{sup 2+} ions. The CIE value and temperature dependence of photoluminescence were also discussed. Furthermore, a white-LED was fabricated using a 370 nm UV chip pumped with a blend of phosphors consisting of yellow-emitting Ba{sub 6.97}Zr(PO{sub 4}){sub 6}:0.03Eu{sup 2+} and blue-emitting BaMgAl{sub 10}O{sub 17}:Eu{sup 2+} phosphors, which achieved a CIE of (0.3329, 0.3562) with a color-rendering index of 86.4 around the CCT of 5487 K.

  11. Synthesis and characterization of advanced Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} nanocrystals@conducting polymer PEDOT for high energy lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Haiyan, E-mail: hyyan1979@163.com; Zhang, Gai; Li, Yongfei

    2017-01-30

    Highlights: • Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}@PEDOT composite is explored as cathode material for Lithium-ion batteries. • The introduce of PEDOT is effectively way to enhance the electron condcutivity of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}. • The Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}@PEDOT hybrids exhibit superior rate capability and cycling stability. - Abstract: Monoclinic Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} compound is gathering significant interest as cathode material for lithium-ion batteries at the moment because of its high theoretical capacity, good safety and low cost. However, it suffers from bad rate capability and short cycling performance duo to the intrinsic low electronic conductivity. Herein, we report a design of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} particles coated by conducting polymer PEDOT through a facile method. When the cell is tested between 3.0 and 4.3 V, the core-shell Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}@PEDOT electrode delivers a capacity of 128.5 mAh g{sup −1} at 0.1C which is about 96.6% of the theoretical capacity. At a high rate of 8C, it can still maintain a capacity of 108.6 mAh g{sup −1} for over 15 cycles with capacity decay rate of only 0.049% per cycle. The impressive electrochemical performance could be attributed to the coated PEDOT layer which can provide a fast electronic connection. Therefore, it can be make a conclusion that the core-shell Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}@PEDOT composite is a promising cathode material for next-generation lithium-ion batteries.

  12. Photoluminescence characteristics of reddish-orange Eu{sup 3+} or Sm{sup 3+} singly-doped and Eu{sup 3+} and Sm{sup 3+} co-doped KZnGd(PO{sub 4}){sub 2} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Jun Ho; Bandi, Vengala Rao; Grandhe, Bhaskar Kumar; Jang, Ki Wan; Lee, Ho Sueb [Changwon National University, Changwon (Korea, Republic of); Yi, Soung Soo [Silla University, Busan (Korea, Republic of); Jeong, Jung Hyun [Pukyong National University, Busan (Korea, Republic of)

    2011-02-15

    Eu{sup 3+} or Sm{sup 3+} singly-doped and Eu{sup 3+} and Sm{sup 3+} co-doped KZnGd(PO{sub 4}){sub 2} phosphors were synthesized by using a conventional solid state reaction method at 750 .deg. C. The emission spectra of KZnGd{sub 1-x}(PO{sub 4}){sub 2}:Eu{sup 3+}{sub x} with {lambda}{sub ex} = 395 nm and KZnGd{sub 1-y}(PO{sub 4}){sub 2}:Sm{sup 3+}{sub y} with {lambda}{sub ex} = 403 nm phosphors showed intense {sup 5}D{sub 0} {yields} {sup 7}F{sub 1}, {sup 4}G{sub 5/2} {yields} {sup 6}H{sub 7/2} emission transitions at 595 nm and 599 nm, respectively. The optimum relative intensity of the KZnGd{sub 1-x-y}(PO{sub 4}){sub 2}:Eu{sup 3+}{sub x} , Sm{sup 3+}{sub y} phosphor was obtained for the doping concentrations of (x = 0.09, y = 0.01). In addition, the temperature dependent luminescence intensity of the synthesized phosphors was investigated and the thermal stability of the KZnGd(PO{sub 4}){sub 2}:Eu{sup 3+} phosphor was found to be higher than that of standard YAG:Ce{sup 3+} and KZnGd{sub 1-x-y}(PO{sub 4}){sub 2}:Eu{sup 3+}{sub x} Sm{sup 3+}{sub y} under near ultra-violet (NUV) light emitting diode excitation (LED). Therefore, we suggest that Eu{sup 3+} or Sm{sup 3+} singly-doped and Eu{sup 3+} and Sm{sup 3+} co-doped KZnGd(PO{sub 4}){sub 2} phosphors should be efficient for different red-color-emitting display device applications and NUV-LED-based white-light-emitting diodes.

  13. Crystal structures and thermal decomposition of permanganates AE[MnO{sub 4}]{sub 2} . n H{sub 2}O with the heavy alkaline earth elements (AE=Ca, Sr and Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Henning, Harald; Bauchert, Joerg M.; Conrad, Maurice; Schleid, Thomas [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2017-10-01

    Reexamination of the syntheses and crystal structures as well as studies of the thermal decomposition of the heavy alkaline earth metal permanganates Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O, Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O and Ba[MnO{sub 4}]{sub 2} are the focus of this work. As an alternative to the very inelegant Muthmann method, established for the synthesis of Ba[MnO{sub 4}]{sub 2} a long time ago, we employed a cation-exchange column loaded with Ba{sup 2+} cations and passed through an aqueous potassium-permanganate solution. We later used this alternative also with strontium- and calcium-loaded columns and all the compounds synthesized this way were indistinguishable from the products of the established methods. Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O exhibiting [CaO{sub 8}] polyhedra crystallizes in the orthorhombic space group Pccn with the lattice parameters a=1397.15(9), b=554.06(4) and c=1338.97(9) pm with Z=4, whereas Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O with [SrO{sub 10}] polyhedra adopts the cubic space group P2{sub 1}3 with a=964.19(7) pm and Z=4. So the harder the AE{sup 2+} cation, the higher its demand for hydration in aqueous solution. Consequently, the crystal structure of Ba[MnO{sub 4}]{sub 2} in the orthorhombic space group Fddd with a=742.36(5), b=1191.23(7) and c=1477.14(9) pm with Z=8 lacks any crystal water, but contains [BaO{sub 12}] polyhedra. During the thermal decomposition of Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O, the compound expels up to two water molecules of hydration, before the crystal structure collapses after the loss of the third H{sub 2}O molecule at 157 C. The crystal structure of Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O breaks down after the expulsion of the third water molecule as well, but this already occurs at 148 C. For both the calcium and the strontium permanganate samples, orthobixbyite-type α-Mn{sub 2}O{sub 3} and the oxomanganates(III,IV) AEMn{sub 3}O{sub 6} (AE=Ca and Sr) remain as final decomposition products at 800 C

  14. High efficient removal of molybdenum from water by Fe{sub 2}(SO{sub 4}){sub 3}: Effects of pH and affecting factors in the presence of co-existing background constituents

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xiang; Ma, Jun, E-mail: majunhit@126.com; Lu, Xixin; Huangfu, Xiaoliu; Zou, Jing

    2015-12-30

    Highlights: • Proposed high efficient Mo (VI) removal with Fe{sub 2}(SO{sub 4}){sub 3} coagulation-filtration. • Studied different effects of Fe{sub 2}(SO{sub 4}){sub 3} and FeCl{sub 3} due to different anionic portions. • Reported the adverse effect of calcium on the removal of Mo (VI). • Proposed factors affecting Mo (VI) removal: intercepted Fe and adsorption affinity. - Abstract: Comparatively investigated the different effects of Fe{sub 2}(SO{sub 4}){sub 3} coagulation-filtration and FeCl{sub 3} coagulation-filtration on the removal of Mo (VI). And the influence of calcium, sulfate, silicate, phosphate and humic acid (HA) were also studied. The following conclusions can be obtained: (1) compared with the case of FeCl{sub 3}, Fe{sub 2}(SO{sub 4}){sub 3} showed a higher Mo (VI) removal efficiency at pH 4.00–5.00, but an equal removal efficiency at pH 6.00–9.00. (2) The optimum Mo (VI) removal by Fe{sub 2}(SO{sub 4}){sub 3} was achieved at pH 5.00–6.00; (3) The presence of calcium can reduce the removal of Mo (VI) over the entire pH range in the present study; (4) The effect of co-existing background anions (including HA) was dominated by three factors: Firstly the influence of co-existing background anions on the content of Fe intercepted from water (intercepted Fe). Secondly the competition of co-existing anions with Mo (VI) for adsorption sites. Thirdly the influence of co-existing background anions on the Zeta potential of the iron flocs.

  15. High performance Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite cathode material for lithium ion batteries studied in pilot scale test

    Energy Technology Data Exchange (ETDEWEB)

    Chen Zhenyu [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Dai Changsong, E-mail: changsd@hit.edu.c [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Wu Gang; Nelson, Mark [Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Hu Xinguo [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Zhang Ruoxin; Liu Jiansheng; Xia Jicai [Battery Material Business Division, Guangzhou Tinci Materials Technology Co., Ltd., Guangzhou 510760 (China)

    2010-12-01

    Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite cathode material was synthesized via carbothermal reduction process in a pilot scale production test using battery grade raw materials with the aim of studying the feasibility for their practical applications. XRD, FT-IR, XPS, CV, EIS and battery charge-discharge tests were used to characterize the as-prepared material. The XRD and FT-IR data suggested that the as-prepared Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C material exhibits an orderly monoclinic structure based on the connectivity of PO{sub 4} tetrahedra and VO{sub 6} octahedra. Half cell tests indicated that an excellent high-rate cyclic performance was achieved on the Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathodes in the voltage range of 3.0-4.3 V, retaining a capacity of 95% (96 mAh/g) after 100 cycles at 20C discharge rate. The low-temperature performance of the cathode was further evaluated, showing 0.5C discharge capacity of 122 and 119 mAh/g at -25 and -40 {sup o}C, respectively. The discharge capacity of graphite//Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} batteries with a designed battery capacity of 14 Ah is as high as 109 mAh/g with a capacity retention of 92% after 224 cycles at 2C discharge rates. The promising high-rate and low-temperature performance observed in this work suggests that Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C is a very strong candidate to be a cathode in a next-generation Li-ion battery for electric vehicle applications.

  16. Facile solution-precipitation assisted synthesis and luminescence property of greenish-yellow emitting Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Haipeng [School of Materials Science and Technology, Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, China University of Geosciences, Beijing 100083 (China); Huang, Zhaohui, E-mail: huang118@cugb.edu.cn [School of Materials Science and Technology, Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, China University of Geosciences, Beijing 100083 (China); Xia, Zhiguo, E-mail: xiazg@ustb.edu.cn [The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Xie, Yao [School of Materials Science and Technology, Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, China University of Geosciences, Beijing 100083 (China); Molokeev, Maxim S. [Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Department of Physics, Far Eastern State Transport University, Khabarovsk 680021 (Russian Federation); Atuchin, Victor V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Functional Electronics Laboratory, Tomsk State University, Tomsk 634050 (Russian Federation); Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation)

    2016-03-15

    Highlights: • Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphor was prepared by the solution-precipitation assisted route. • The phosphors have satisfactory smooth grain surface and particle size. • It shows greenish-yellow color emission (maximum at 540 nm) upon blue light excitation. • Eu{sup 2+} is coordinated with isolated oxygen atoms and those from PO{sub 4} polyhedra. - Abstract: Greenish-yellow emitting microcrystalline Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphor was successfully prepared by a solution-precipitation assisted high temperature reaction method. Phase structure, morphology and/or luminescence properties of the precursor and the as-prepared phosphors were characterized. The phase-pure Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphors were obtained with smooth grain surface and particle size of 2–8 μm. Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} exhibits bright greenish-yellow color emission with its maximum at 540 nm upon UV-blue light excitation. The maximum position of the broad emission band is independent on the calcination temperature. The emission intensity increases with increasing calcination temperature due to improved crystallinity. Besides, the presence of two Eu{sup 2+} emission centers in the Ca{sub 6}Ba(PO{sub 4}){sub 4}O crystal lattice was confirmed and the coordination effects are considered concerning the roles of isolated O atoms and those from the PO{sub 4} tetrahedra.

  17. Nuclear spin phonon relaxation by Raman process in Na{sub 3}H(SO{sub 4}){sub 2} single crystals with the electric-quadrupole-type interaction using {sup 1}H and {sup 23}Na NMR

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Ae Ran [Department of Science Education, Jeonju University, Jeonju 560-759, Chonbuk (Korea, Republic of)], E-mail: aeranlim@hanmail.net; Shin, Chang Woo [Solid State Analysis Team, Korea Basic Science Institute, Daegu 702-701 (Korea, Republic of)

    2008-11-30

    Successive phase transitions in a Na{sub 3}H(SO{sub 4}){sub 2} single crystal were found at 296, 513, and 533 K. To investigate the mechanism of the phase transition at 296 K, the {sup 1}H and {sup 23}Na spin-lattice relaxation time and the spin-spin relaxation time of Na{sub 3}H(SO{sub 4}){sub 2} were measured near the phase transition temperature using a FT NMR spectrometer. The spin-lattice relaxation time, T{sub 1}, for {sup 1}H in Na{sub 3}H(SO{sub 4}){sub 2} crystals exhibits a minimum below T{sub C1} (=296 K) indicating the presence of distinct molecular motion governed by the Bloembergen-Purcell-Pound (BPP) theory. Although the results for the {sup 1}H and {sup 23}Na relaxation times provide no evidence of the phase transition at T{sub C1}, the separation of the {sup 23}Na resonance lines changes abruptly at T{sub C1}. The phase transition at 296 K produces a change in the separation of the Na resonance line that is associated with a change in the atomic positions in the vicinity of the Na ions. Also, the nuclear spin-lattice relaxation process in Na{sub 3}H(SO{sub 4}){sub 2} crystals with the electric-quadrupole-type interaction proceed via Raman process. These results are compared with those obtained for other M{sub 3}H(SO{sub 4}){sub 2} (M=K, Rb, and Cs) crystals, which have similar hydrogen-bonded structures.

  18. U{sub x}Th{sub 1-x}(C{sub 2}O{sub 4}){sub 2} solide characterisation studies

    Energy Technology Data Exchange (ETDEWEB)

    Carrigan, C.; Taylor, R.; Sarsfield, M. [National Nuclear Laboratory, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom)

    2016-07-01

    Many advanced reprocessing schemes under development are aimed at co-processing and co-conversion of actinides, unlike current reprocessing plants that produce separate uranium and plutonium products. The most well developed option for the co-conversion stage is probably oxalate co-precipitation, followed by the thermal co-conversion to a mixed oxide product. It is thus envisaged that future processes will avoid separation of plutonium from uranium and instead allow part of the uranium to flow with the plutonium, resulting in co-precipitation as the oxalate, and finally co-conversion to a mixed uranium-plutonium oxide (MOX), which can be fabricated into recycled nuclear fuel for further energy generation. The co-crystallisation of uranium (IV) and plutonium (III) into a single oxalate structure ensures the homogenous distribution of the 2 actinides at the molecular scale. The joint conversion of uranium and plutonium to the oxide form makes it possible to remove the complicated step of blending and grinding the 2 distinct oxide powders, as currently employed for the purposes of MOX fuel fabrication. This concept can also be extended to other actinides, including minor actinides from partitioning processes such as SANEX (Selective Actinide Extraction) and GANEX (Grouped Actinide Extraction) processes or even a thorium containing product from recycle of thorium based fuels. A selection of U{sub x}Th{sub 1-x}(C{sub 2}O{sub 4}){sub 2} solids at varying concentrations of uranium and thorium were prepared by oxalate co-precipitation. Uranium (VI) was conditioned electrochemically at -0.7 V to uranium (IV), in the presence of hydrazine. The reduced uranium (IV) in nitric acid was mixed with thorium nitrate solutions at different concentration ratios with oxalic acid. The mixed tetravalent uranium-thorium oxalate solid products have been characterised by Raman and IR spectroscopies. The influence of thorium substituted into the uranium oxalate structure was evaluated

  19. Design and syntheses of hybrid metal–organic materials based on K{sub 3}[M(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O [M(III)=Fe, Al, Cr] metallotectons

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yayong; Zong, Yingxia; Ma, Haoran; Zhang, Ao; Liu, Kang; Wang, Debao, E-mail: dbwang@qust.edu.cn; Wang, Wenqiang; Wang, Lei, E-mail: inorchemwl@126.com

    2016-05-15

    By using K{sub 3}[M(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O [M(III)=Fe, Al, Cr] (C{sub 2}O{sub 4}{sup 2−}=oxalate) metallotectons as the starting material, we have synthesized eight novel complexes with formulas [{Fe(C_2O_4)_2(H_2O)_2}{sub 2}]·(H–L{sub 1}){sub 2}·H{sub 2}O 1, [Fe(C{sub 2}O{sub 4})Cl{sub 2}]·(H{sub 2}–L{sub 2}){sub 0.5}·(L{sub 2}){sub 0.5}·H{sub 2}O 2, [{Fe(C_2O_4)_1_._5Cl_2}{sub 2}]·(H–L{sub 3}){sub 4}3, [Fe{sub 2}(C{sub 2}O{sub 4})Cl{sub 8}]·(H{sub 2}–L{sub 4}){sub 2}·2H{sub 2}O 4, K[Al(C{sub 2}O{sub 4}){sub 3}]·(H{sub 2}–L{sub 5})·2H{sub 2}O 5, K[Al(C{sub 2}O{sub 4}){sub 3}]·(H–L{sub 6}){sub 2}·2H{sub 2}O 6, K[Cr(C{sub 2}O{sub 4}){sub 3}]·2H{sub 2}O 7, Na[Fe(C{sub 2}O{sub 4}){sub 3}]·(H–L{sub 6}){sub 2}·2H{sub 2}O 8 (with L{sub 1}=4-dimethylaminopyridine, L{sub 2}=2,3,5,6-tetramethylpyrazine, L{sub 3}=2-aminobenzimidazole, L{sub 4}=1,4-bis-(1H-imidazol-1-yl)benzene, L{sub 5}=1,4-bis((2-methylimidazol-1-yl)methyl)benzene, L{sub 6}=2-methylbenzimidazole). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra and thermogravimetric analyses. Compound 3 is a 2D H-bonded supramolecular architecture. Others are 3D supramolecular structures. Compound 1 shows a [Fe(C{sub 2}O{sub 4}){sub 2}(H{sub 2}O){sub 2}]{sup −} unit and 3D antionic H-bonded framework. Compound 2 features a [Fe(C{sub 2}O{sub 4})Cl{sub 2}]{sup -} anion and 1D iron-oxalate-iron chain. Compound 3 features a [Fe{sub 2}(C{sub 2}O{sub 4}){sub 3}Cl{sub 4}]{sup 4−} unit. Compound 4 features distinct [Fe{sub 2}(C{sub 2}O{sub 4})Cl{sub 8}]{sup 4−} units, which are mutual linked by water molecules to generated a 2D H-bonded network. Compound 5 features infinite ladder-like chains constructed by [Al(C{sub 2}O{sub 4}){sub 3}]{sup 3−} units and K{sup +} cations. The 1D chains are further extended into 3D antionic H-bonded framework through O–H···O H-bonds. Compounds 6–8 show 2D [KAl(C{sub 2}O

  20. Study of the structure of H2SO4sub>-amine Primene 81R and Fe(III-amine Primene 81R sulphate compounds by infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Alguacil, F. J.

    1999-08-01

    Full Text Available The primary amine Primene 81R extracts sulphuric acid from aqueous solutions to form the corresponding sulphate and bisulphate salts. The infrared study shows that in the sulphate salt, the sulphate group presents a Td symmetry, whereas the amine bisulphate presents a C3v symmetry for the bisulphate group. The former of the above compounds, the amine sulphate, is complexed to Fe(III in sulphate media, and two complexes are extracted depending on temperature. At 8°C or lower temperatures a complex with the stoichiometric formula 4(RNH32SO4sub> (Fe(OHSO4sub>2 is formed, whereas at 50°C or higher temperatures the complex with the stoichiometric formula 3(RNH32SO4sub> (Fe(OHSO4sub>2 is formed. The infrared spectrum of both complexes is very similar and it is consistent with a weaker interaction between the protons associated with the amine group and the anion, and with a change in the symmetry of the sulphate group respect to the symmetry presented in the amine sulphate salt.

    La amina primaria Primene 81R extrae al ácido sulfúrico de los medios acuosos para formar las sales sulfato y bisulfato. El estudio IR muestra que en la sal sulfato, el grupo sulfato presenta una simetría Td, mientras que en la sal bisulfato este grupo presenta una simetría C3v. La sal sulfato compleja al Fe(III, formando dos compuestos en función de la temperatura de reacción. A temperaturas iguales a 8°C o inferiores se forma el compuesto de estequiometría 4(RNH32SO4sub> (Fe(OHSO4sub>2, mientras que a temperaturas iguales o superiores a 50°C la estequiometría del compuesto extraído es 3(RNH32SO4sub> (Fe(OHSO4sub>2. El espectro infrarrojo de ambos compuestos es muy parecido y es consistente, tanto con una interacción d

  1. Nuclear resonant scattering evidence of the phase co-existence during structural phase transformation in [Fe(H{sub 2}O){sub 6}](ClO{sub 4}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Vanko, Gy. [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble (France); Research Group for Nuclear Techniques in Structural Chemistry, Hungarian Academy of Sciences at Eoetvoes L. University, P.O. Box 32, H-1518 Budapest (Hungary); Bottyan, L. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Deak, L. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Fetzer, Cs. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Juhasz, G. [Department of Nuclear Chemistry, Eoetvoes L. University, P.O. Box 32, H-1518 Budapest (Hungary); Leupold, O. [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble (France); Institut fuer Experimentalphysik, Universitaet Hamburg, Luruper Chaussee 149, D-22761 Hamburg (Germany); Molnar, B. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Rueter, H.D. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Szilagyi, E. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary); Nagy, D.L. [KFKI Research Institute for Particle and Nuclear Physics, P.O. Box 49, H-1525 Budapest (Hungary)]. E-mail: nagy@rmki.kfki.hu

    2005-09-29

    The phase transition associated with orbital-ground-state inversion of high-spin Fe{sup 2+} in [Fe(H{sub 2}O){sub 6}](ClO{sub 4}){sub 2} was studied with nuclear resonant forward scattering of synchrotron radiation (SR). The sudden change in the {sup 57}Fe{sup 2+} quadrupole interaction results in a change of the quantum-beat frequencies. Quantum-beat patterns taken at the phase transition of [Fe(H{sub 2}O){sub 6}](ClO{sub 4}){sub 2} are in accordance with mainly coherent rather than with incoherent sums of the scattering amplitudes of the high- and low-quadrupole-interaction phases, a fact supporting the real co-existence of the two phases.

  2. Site-occupancy, luminescent properties and energy transfer of a violet-to-red color-tunable phosphor Ca{sub 10}Li(PO{sub 4}){sub 7}: Ce{sup 3+}, Mn{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xinguo, E-mail: mpcc1@qq.com [Guangdong Provincial Key Laboratory of New Drug Screening, School of Pharmaceutical Sciences, Southern Medical University, Guangzhou 510515 (China); Xu, Jungu [Guangxi Ministry-Province Jointly-Constructed Cultivation Base for State Key Laboratory of Processing for Nonferrous Metal and Featured Materials, MOE Key Laboratory of New Processing Technology for Nonferrous Metals and Materials, Guangxi Universities Key Laboratory of Non-ferrous Metal Oxide Electronic Functional Materials and Devices, College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004 (China); Gong, Menglian [School of Chemistry, Sun Yat-Sen University, Guangzhou 510275 (China)

    2017-03-15

    A series of color-tunable phosphors Ca{sub 10}Li(PO{sub 4}){sub 7}: Ce{sup 3+}, Mn{sup 2+} were synthesized by high-temperature solid-state reaction. Site occupancy of Ce{sup 3+} and Mn{sup 2+} in Ca{sub 10}Li(PO{sub 4}){sub 7} and corresponding luminescent properties were systemically studied. Rietveld refinement results indicate that the Ce{sup 3+} ions are preferred to occupy 7-cooridnated M1 and M3 sites, and Mn{sup 2+} ions are mainly occupying distorted octahedral M5 sites, which results in Ce{sup 3+} violet emission at 370 nm and Mn{sup 2+} red emission at 640 nm. The intensity of Mn{sup 2+} red emission is greatly enhanced through efficient Ce{sup 3+}-Mn{sup 2+} energy transfer (η{sub ET}=94%). The critical distance and corresponding mechanism of Ce{sup 3+}-Mn{sup 2+} energy transfer was found to be ~11 Å and dipole-quadrupole interaction, respectively. The emitting colors of Ca{sub 10}Li(PO{sub 4}){sub 7}: Ce{sup 3+}, Mn{sup 2+} phosphors can be tuned from violet through pink to red by adjusting the Ce{sup 3+}/Mn{sup 2+} ratio. The composition-optimized red phosphor Ca{sub 10}Li(PO{sub 4}){sub 7}: 0.05Ce{sup 3+}, 0.09Mn{sup 2+} exhibits excellent thermal stability at high temperature (~100% at 160 °C).

  3. Single-phase and warm white-light-emitting phosphors CaLa{sub 2−x−y}(MoO{sub 4}){sub 4}: xDy{sup 3+}, yEu{sup 3+}: Synthesis, luminescence and energy transfer

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-15

    A series of single-phase warm white light emitting CaLa{sub 2−x−y}(MoO{sub 4}){sub 4}: xDy{sup 3+}, yEu{sup 3+} phosphors were synthesized by a typical sol–gel method. X-ray diffraction (XRD) analysis reveals that the crystal structures of the samples are matched well with the tetragonal CaMoO{sub 4}. Upon ultraviolet (UV) light radiation, the Dy{sup 3+} or Eu{sup 3+} ions singly activated CaLa{sub 2}(MoO{sub 4}){sub 4} phosphors exhibit corresponding emissions originated from the f–f transitions of Dy{sup 3+} or Eu{sup 3+} ions. Under near ultraviolet (n-UV) light excitation, in the Dy{sup 3+} and Eu{sup 3+} ions co-doped samples, the energy transfer (ET) phenomenon from Dy{sup 3+} to Eu{sup 3+} ions can be observed and has been demonstrated to be a quadrupole–quadrupole interaction mechanism. The emission color of CaLa{sub 1.98−y}(MoO{sub 4}){sub 4}: 0.02Dy{sup 3+}, yEu{sup 3+} samples can be tuned from cool to warm white light by adjusting the concentration of Eu{sup 3+} ions. In addition, it can be found that CaLa{sub 1.974}(MoO{sub 4}){sub 4}: 0.02Dy{sup 3+}, 0.006Eu{sup 3+} samples emit bright white light with the CIE coordinate of (0.348, 0.313) and the color temperature of 5087 K, which is very close to the standard white light. All the results demonstrate that the as-synthesized phosphors have great potential applications in the field of n-UV white light emitting diodes (WLEDs).

  4. Tunable blue-green color emitting phosphors Sr{sub 3}YNa(PO{sub 4}){sub 3}F:Eu{sup 2+}, Tb{sup 3+} based on energy transfer for near-UV white LEDs

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Yahong, E-mail: yhjin@gdut.edu.cn; Lv, Yang; Hu, Yihua, E-mail: huyh@gdut.edu.cn; Chen, Li; Ju, Guifang; Mu, Zhongfei

    2017-05-15

    A series of Eu{sup 2+} and Tb{sup 3+} doped Sr{sub 3}YNa(PO{sub 4}){sub 3}F phosphors have been synthesized via a high temperature solid state reaction method. Eu{sup 2+} activated Sr{sub 3}YNa(PO{sub 4}){sub 3}F phosphors can be efficiently excited by light in the range of 220–420 nm, which matches well with the commercial n-UV LEDs, and show intense blue emission centered at 456 nm. The optimal doping concentration of Eu{sup 2+} is determined to be 1 mol%. The concentration quenching mechanism of Eu{sup 2+} in SYNPF host is mainly attributed to the dipole-dipole interaction. Energy transfer from Eu{sup 2+} to Tb{sup 3+} is observed when Eu{sup 2+} and Tb{sup 3+} are co-doped into Sr{sub 3}YNa(PO{sub 4}){sub 3}F host. Under excitation of 380 nm, the emission color can be varied from blue to green along with the increase of Tb{sup 3+} doping concentration. Based on decay curves, the energy transfer from the Eu{sup 2+} to Tb{sup 3+} ions is demonstrated to be a dipole–dipole mechanism. According to thermal quenching study by yoyo experiments of heating-cooling, Sr{sub 3}YNa(PO{sub 4}){sub 3}F:Eu{sup 2+}, Tb{sup 3+} shows good thermal stability. The thermal quenching mechanism is also discussed. The results indicate that as-prepared samples might be of potential application in w-LEDs.

  5. Passivation of the surfaces of single crystal gadolinium molybdate (Gd/sub 2/(MoO/sub 4/)/sub 3/) against attack by hydrofluoric acid by inert ion beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Bhalla, A; Cross, L E; Tongson, L [Pennsylvania State Univ., University Park (USA). Materials Research Lab.

    1978-01-01

    The passivation effect from inert ion beam bombardment has been studied on a ferroelectric surface. The mechanism in these materials may have some additional contributions because of the polarization charges of the domains and the dipole effect (ion beam and surface species) on the surfaces. For these studies Gd/sub 2/(MoO/sub 4/)/sub 3/ (GMO) crystals were selected. Two possible mechanisms of passivation of GMO surfaces when bombarded with ion beams are discussed.

  6. Role of iron in Na {sub 1.5}Fe {sub 0.5}Ti {sub 1.5}(PO {sub 4}) {sub 3}/C as electrode material for Na-ion batteries studied by operando Mössbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Difi, Siham [Université de Montpellier, Institut Charles Gerhardt, UMR 5253 CNRS (France); Saadoune, Ismael [Université Cadi Ayyad, Laboratoire de Chimie des Matériaux et de l’Environnement (Morocco); Sougrati, Moulay Tahar [Université de Montpellier, Institut Charles Gerhardt, UMR 5253 CNRS (France); Hakkou, Rachid [Université Cadi Ayyad, Laboratoire de Chimie des Matériaux et de l’Environnement (Morocco); Edstrom, Kristina [Uppsala University, Department of Chemistry - Ångström laboratory (Sweden); Lippens, Pierre-Emmanuel, E-mail: lippens@univ-montp2.fr [Université de Montpellier, Institut Charles Gerhardt, UMR 5253 CNRS (France)

    2016-12-15

    The role of iron in Na {sub 1.5}Fe {sub 0.5}Ti {sub 1.5}(PO {sub 4}){sub 3}/C electrode material for Na batteries has been studied by {sup 57}Fe Mössbauer spectroscopy in operando mode. The potential profile obtained in the galvanostatic regime shows three plateaus at different voltages due to different reaction mechanisms. Two of them, at 2.2 and 0.3 V vs Na {sup +}/Na {sup 0}, have been associated to redox processes involving iron and titanium in Na {sub 1.5}Fe {sub 0.5}Ti {sub 1.5}(PO {sub 4}){sub 3}. The role of titanium was previously elucidated for NaTi {sub 2}(PO {sub 4}){sub 3} and the effect of the substitution of Fe for Ti was investigated with {sup 57}Fe Mössbauer spectroscopy. We show that iron is an electrochemically active center at 2.2 V with the reversible Fe {sup 3+}/Fe {sup 2+} transformation and then remains at the oxidation state Fe {sup 2+} along the sodiation until the end of discharge at 0 V.

  7. Judd–Ofelt analysis and transition probabilities of Er{sup 3+} doped KY{sub 1−x−y}Gd{sub x}Lu{sub y}(WO{sub 4}){sub 2} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Martínez de Mendívil, Jon, E-mail: jon.martinez@uam.es [Departamento de Física de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Lifante, Ginés [Departamento de Física de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Pujol, Maria Cinta; Aguiló, Magdalena; Díaz, Francesc [Física i Cristalografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili, Tarragona (Spain); Cantelar, Eugenio [Departamento de Física de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain)

    2015-09-15

    In this work the transition probabilities, radiative lifetimes and branching ratios of Er{sup 3+} ions in KY{sub 1−x−y}Gd{sub x}Lu{sub y}(WO{sub 4}){sub 2} crystals have been determined. With this aim, Er{sup 3+} doped KY{sub 1−x−y}Gd{sub x}Lu{sub y}(WO{sub 4}){sub 2} crystals have been grown by means of the high temperature Top-Seeded Solution Growth. A spectroscopic analysis of Er{sup 3+} ions in this crystal has been performed following anisotropic Judd–Ofelt analysis to obtain basic spectroscopic properties. A quantum efficiency over 97% has been determined for the {sup 4}I{sub 13/2}→{sup 4}I{sub 15/2} transition, indicating that this material is adequate for the development of lasers and amplifiers working in the third telecommunication window. - Highlights: • Er{sub 0.01}:KY{sub 1−x−y}Gd{sub x}Lu{sub y}(WO{sub 4}){sub 2} crystals have been grown. • Anisotropic Judd Ofelt analysis has been carried out. • Optical transition probabilities and branching ratios have been calculated. • Radiative and non-radiative lifetimes have been obtained.

  8. Synthesis and photoluminescence control of Ca{sub 10.5–1.5x}La{sub x}(PO{sub 4}){sub 7}:Eu{sup 2+} phosphors by aliovalent cation substitution

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Yanting; Tang, Miao; Qiu, Zhongxian; Zhang, Jilin; Yu, Liping; Li, Chengzhi; Lian, Shixun; Zhou, Wenli, E-mail: chemwlzhou@hunnu.edu.cn

    2017-02-15

    A range of Ca{sub 10.5-1.5x}La{sub x}(PO{sub 4}){sub 7}:Eu{sup 2+}phosphors were synthesized by high temperature solid state method. Subsequently we studied the crystal structures and luminescent properties through X-ray diffraction, photoluminescence and photoluminescence excitation, diffuse reflection spectra, Raman spectra and decay curves systematically. Based on the special crystal structure ofβ-Ca{sub 3}(PO{sub 4}){sub 2}:Eu{sup 2+}, its emission undergoes a variation from violet–blue to cyan through introducing La{sup 3+}. The substitution of La{sup 3+} for Ca{sup 2+} could form some cation vacancies in Ca(4) sites according to the scheme 3Ca{sup 2+}= 2La{sup 3+}+ □ due to the different ion valence, which compels Eu{sup 2+} to migrate from Ca(4) site to other sites. Additionally, the formation of the cation vacancies can further reduce the thermal stability of phosphors. - Highlights: • Realizing photoluminescence control of Eu{sup 2+} by introducing relatively larger La{sup 3+} ion to replace the Ca{sup 2+} in β-Ca{sub 3}(PO{sub 4}){sub 2}:Eu{sup 2+} phosphor. • The mechanism of spectral control is proposed to be due to emptying of Ca{sup 2+} and migration of Eu{sup 2+}. • The thermal stability reduction is related to the formation of vacancies.

  9. Engineering of mixed pairing and non-Abelian Majorana states in chiral p-wave superconductor Sr2RuO4sub> and other materials

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ying [Pennsylvania State Univ., University Park, PA (United States). Dept. of Physics

    2015-11-30

    This project deals with odd-parity superconductor Sr2RuO4sub> and related material systems, aiming at understanding the unconventional nature of superconductivity in this material. An odd-parity superconductor is expected to feature a novel topological object, the half-flux-quantum vortex that hosts a Majorana anyons. Majorana anyons carry non-Abelian statistics that can be used as the building block for constructing a fault-tolerated topological quantum computer. Half-flux-quantum vortices form in an odd-parity superconductor because of the availability of charge neutral spin supercurrent in addition to the normal supercurrent. Half-height magnetization steps were found in a cantilever magnetometry measurement of doubly connected mesoscopic samples of Sr2RuO4sub> in the presence of an in-plane magnetic field (J. Jang, D. G. Ferguson, V. Vakaryuk, R. Budakian, S. B. Chung, P. M. Goldbart, and Y. Maeno, Science 331, 186 (2011)), which suggests the presence of a half-flux-quantum (Φ0/2 = h/4e) state. Evidence for half flux quantum states, which can be viewed as coreless half vortices, was obtained in mesoscopic samples of Sr2RuO4sub> in the torque magnetomitry measurements. However, the existence of such an important property has not been confirmed by any other independent measurement.

  10. Study of {sup 3}{sub Λ}H and {sup 4}{sub Λ}H in the reaction of {sup 6}Li+{sup 12}C at 2 A GeV

    Energy Technology Data Exchange (ETDEWEB)

    Bertini, Olga

    2013-03-01

    The feasibility of studying hypernuclei by means of peripheral heavy ion induced reactions was demonstrated by observing clear signals of Λ,{sup 3}{sub Λ}H,{sup 4}{sub Λ}H in their respective invariant mass distributions from their mesonic decay. The experiment was performed with {sup 6}Li beams at 2 A GeV impinging on a carbon target. This thesis presents an independent analysis which aims to corroborate previous results obtained by the HypHI collaboration. For this purpose, a track reconstruction procedure, based on the Kalman filtering approach, and two different secondary vertex reconstruction algorithms have been implemented. The invariant masses of the Λ-hyperon, the {sup 3}{sub Λ}H and the {sup 4}{sub Λ}H hypernuclei were found to be 1109.6±0.38, 2981.0±0.30 and 3898.1±0.68 MeV/c{sup 2} with statistical significance of 9.8σ, 12.8σ and 7.3σ, respectively. The results obtained in this work are in agreement with the previous analysis. The hypernuclei yield ratio was found to be N({sup 3}{sub Λ}H)/N({sup 4}{sub Λ}H)∝3, which suggests that the production mechanism of hypernuclear in heavy ion induced reactions in the projectile rapidity region involves not only the coalescence mechanism but also secondary pion-/kaon- induced reactions and Fermi break-up.

  11. Measurement of the cross section for forward Compton scattering by /sup 4//sub 2/ He nuclei at energies E/sub. gamma. / = 1. 8--3. 8 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Aleksanyan, A.S.; Babayan, G.E.; Voskanyan, A.V.; Gasparyan, A.D.; Gevorkyan, S.R.; Karapetyan, S.N.; Ketikyan, A.Z.; Megrabyan, G.K.; Movsisyan, K.A.; Oganesyan, G.A.; and others

    1987-04-01

    The differential cross sections for Compton scattering by nuclei of /sup 4//sub 2/ He have been measured at the momentum transfers 0.02less than or equal tochemically bondtchemically bond<0.14 (GeV/c)/sup 2/ in the energy region E/sub ..gamma../ = 1.8--3.8 GeV. On the basis of the diffraction theory of multiple scattering the values of the differential cross sections at t = 0, of the slope parameters of the diffraction cone, and of the /sup 4//sub 2/ He nucleus radius have been determined. Experimental values are given for the phase of the scattering amplitude by nucleons, ..cap alpha..( f/sup 0//sub i/) = Re f/sup 0//sub i// Im f/sup 0//sub i/. On the basis of the differential cross sections at t = 0 the total photoabsorption cross section and the photon screening coefficient are determined for the /sup 4//sub 2/ He nucleus.

  12. Ultrasonic-assisted solution combustion synthesis of porous Na{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C: formation mechanism and sodium storage performance

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qiuyun; Liu, Qing [Huazhong University of Science and Technology, State Key Laboratory of Materials Processing and Die and Mould Technology (China); Chu, Xiangcheng; Zhang, Yiling [Tsinghua University, State Key Laboratory of New Ceramic and Fine Processing (China); Yan, Youwei; Xue, Lihong, E-mail: xuelh@hust.edu.cn; Zhang, Wuxing, E-mail: zhangwx@hust.edu.cn [Huazhong University of Science and Technology, State Key Laboratory of Materials Processing and Die and Mould Technology (China)

    2017-04-15

    Solution combustion synthesis (SCS) is an effective and rapid method for synthesizing nanocrystalline materials. However, the control over size, morphology, and microstructure are rather limited in SCS. Here, we develop a novel ultrasonic-assisted solution combustion route to synthesize the porous and nano-sized Na{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composites, and reveal the effects of ultrasound on the structural evolution of NVP/C. Due to the cavitation effects generated from ultrasonic irradiation, the ultrasonic-assisted SCS can produce honeycomb precursor, which can be further transformed into porous Na{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C with reticular and hollow structures after thermal treatment. When used as cathode material for Na-ion batteries, the porous Na{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C delivers an initial discharge capacity of 118 mAh g{sup −1} at 0.1 C and an initial coulombic efficiency of 85%. It can retain 93.8% of the initial capacity after 120 cycles at 0.2 C. The results demonstrate that ultrasonic-assisted SCS can be a new strategy to design crystalline nanomaterials with tunable microstructures.

  13. Site and local structure of activator Eu{sup 2+} in phosphor Ca{sub 10−x}(PO{sub 4}){sub 6}Cl{sub 2}:xEu{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chun-Hai, E-mail: chwang81@gmail.com [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, Mianyang 621900 (China); Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); School of Physics, Peking University, Beijing 100871 (China); Gui, Dong-Yun; Qin, Rui [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, Mianyang 621900 (China); Yang, Feng-Li [Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Jing, Xi-Ping, E-mail: xpjing@pku.edu.cn [Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Tian, Guang-Shan [School of Physics, Peking University, Beijing 100871 (China); Zhu, Wenjun [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, Mianyang 621900 (China)

    2013-10-15

    The site and local structure of activator Eu{sup 2+} in phosphor Ca{sub 10−x}(PO{sub 4}){sub 6}Cl{sub 2}:xEu{sup 2+} is investigated by experiment measurements, first-principle calculations and XAFS simulations. From first-principle calculations, the “local” structure [bond length L(M–O)≤R(M{sup 2+})+R(O{sup 2−})] of host shows a significant deformation (expansion) when Ca{sup 2+} is substituted by Eu{sup 2+}, and Eu{sup 2+} should prefer 6h site to 4f site in the host. The d→f emission of Eu{sup 2+} at 4f site should show a longer wavelength than that of Eu{sup 2+} at 6h site. The XAFS measurement and simulations suggest that the Eu{sup 2+} in our Ca{sub 9.9}(PO{sub 4}){sub 6}Cl{sub 2}:0.1Eu{sup 2+} sample mainly locates at 6h site. In the emission spectrum, two emission profiles of Ca{sub 9.9}(PO{sub 4}){sub 6}Cl{sub 2}:0.1Eu{sup 2+} sample are obtained and assigned. The major one (2.71 eV≈456 nm) should be the emission of Eu{sup 2+} at 6h site. The minor one (2.61 eV≈465 nm) should be that of Eu{sup 2+} at 4f site. - Graphical abstract: The d→f emission of Eu{sup 2+} in Ca{sub 9.9}(PO{sub 4}){sub 6}Cl{sub 2}:0.1Eu{sup 2+} can be assigned as: emission profile at 2.71 eV and 2.61 eV are Eu{sup 2+} at 6h and 4f site, respectively. Display Omitted - Highlights: • Eu{sup 2+} in Ca{sub 10−x}(PO{sub 4}){sub 6}Cl{sub 2}:xEu{sup 2+} causes deformation to “local” structure. • Eu{sup 2+} should prefer 6h site to 4f site in the host from energy aspect. • Emission at 2.71 eV and 2.61 eV should be Eu{sup 2+} at 6h and 4f site.

  14. Tunable luminescence properties and energy transfer of Ba{sub 3}NaLa(PO{sub 4}){sub 3}F:Tb{sup 3+},Sm{sup 3+} phosphors with apatite structure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Haikun; Liao, Libing, E-mail: clayl@cugb.edu.cn; Chen, Jian; Guo, Qingfeng; Zhang, Yuanyuan; Mei, Lefu, E-mail: mlf@cugb.edu.cn

    2016-01-15

    Tb{sup 3+}–Sm{sup 3+} co-doped Ba{sub 3}NaLa(PO{sub 4}){sub 3}F phosphors with apatite structure have been prepared by a high temperature solid-state reaction, and their luminescence properties have been investigated in detail. The energy transfer (ET) mechanism was verified as the dipole–quadrupole mechanism, and the ET efficiency as well as the critical distance is also estimated. As a result of fine-tuning of the emission composition of the Tb{sup 3+} and Sm{sup 3+} ions, tunable luminescence properties can be realized by combining the emission of Tb{sup 3+} and Sm{sup 3+} in a single host lattice under UV light excitation. The emission color of the obtained phosphors can be modulated from green to yellow by controlling the doping content of the Sm{sup 3+} ions with the fixed Tb{sup 3+} content. Additional, as the temperature increases from RT to 150 °C, the PL intensities of Ba{sub 3}NaLa{sub 0.7}(PO{sub 4}){sub 3}F:0.10Tb{sup 3+},0.20Sm{sup 3+} decreased to 80.4% and 78.6% of the initial PL intensity, corresponding to the intensity of transition of Sm{sup 3+} and transition of Tb{sup 3+} in the Ba{sub 3}NaLa{sub 0.7}(PO{sub 4}){sub 3}F:0.10Tb{sup 3+},0.20Sm{sup 3+} phosphor, respectively. These results indicate the series of Ba{sub 3}NaLa{sub 1−x−y}(PO{sub 4}){sub 3}F:xTb{sup 3+},ySm{sup 3+} phosphors can be acted as a good candidate for the application in white light-emitting diodes. - Highlights: • Tb{sup 3+},Sm{sup 3+}-codoped Ba{sub 3}NaLa(PO{sub 4}){sub 3}F phosphors have been synthesized. • The emission color of the obtained phosphors can be modulated from green to red. • This phosphor has a good thermal stability.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, Andrea Nora Pino

    1999-07-01

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

  16. The Nature of the Distinctive Microscopic Features in R5(SixGe1-x)4sub> Magnetic Refrigeration Materials

    Energy Technology Data Exchange (ETDEWEB)

    Ugurlu, Ozan [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    Magnetic refrigeration is a promising technology that offers a potential for high energy efficiency. The giant magnetocaloric effect of the R5(Six, Ge1-x)4sub> alloys (where R=rare-earth and O ≤ x ≤ 1), which was discovered in 1997, make them perfect candidates for magnetic refrigeration applications. In this study the microstructures of Gd5(Six, Ge1-x)4sub> alloys have been characterized using electron microscopy techniques, with the focus being on distinctive linear features first examined in 1999. These linear features have been observed in R5(Six, Ge1-x)4sub> alloys prepared from different rare-earths (Gd, Tb, Dy and Er) with different crystal structures (Gd5Si4sub>-type orthorhombic, monoclinic and Gd5Ge4sub>-type orthorhombic). Systematic scanning electron microscope studies revealed that these linear features are actually thin-plates, which grow along specific directions in the matrix material. The crystal structure of the thin-plates has been determined as hexagonal with lattice parameters a=b=8.53 Å and c=6.40 Å using selected area diffraction (SAD). Energy dispersive spectroscopy analysis, carried out in both scanning and transmission electron microscopes, showed that the features have a composition approximating to R5Six,Ge1-x)3.phase. Orientation relationship between the matrix and the thin-plates has been calculated as [- 1010](1-211)p//[010](10-2)m. The growth direction of the thin plates are calculated as (22 0 19) and (-22 0 19) by applying the Ag approach of Zhang and Purdy to the SAD patterns of this system. High Resolution TEM images of the Gd5Ge4sub> were used to study the crystallographic relationship. A terrace-ledge structure was observed at the interface and a 7° rotation of the reciprocal lattices

  17. Tunable luminescence and energy transfer properties in Na{sub 3}Bi(PO4){sub 2}:Eu{sup 3+}, Tb{sup 3+}, Dy{sup 3+}, Sm{sup 3+} phosphors with high thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zizhong; Fu, Guangsheng; Yang, Yong; Yang, Zhiping, E-mail: yangzp2005@sohu.com; Li, Panlai, E-mail: li_panlai@126.com

    2017-04-15

    Na{sub 3}Bi(PO{sub 4}){sub 2}:Eu{sup 3+}/Tb{sup 3+}/Dy{sup 3+}/Sm{sup 3+} phosphors were synthesized via a high-temperature solid-state reaction method. The X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), diffuse reflection, photoluminescence (PL) and fluorescent decay curves were utilized to characterize the obtained phosphors. Under n-UV excitation, Na{sub 3}Bi(PO{sub 4}){sub 2}:Eu{sup 3+}/Tb{sup 3+}/Dy{sup 3+}/Sm{sup 3+} samples show the characteristic f-f emissions and present red, green, yellow and orange emission, respectively. When Tb{sup 3+}, Dy{sup 3+} and Sm{sup 3+} were co-doped into the Na{sub 3}Bi(PO{sub 4}){sub 2}:Eu{sup 3+} phosphors, tunable emission colors can be obtained and can be efficiently adjusted by varying the doping ions and the doping concentration. The energy transfer mechanisms were investigated in detail and demonstrated that there is an efficient energy transfer from Tb{sup 3+}, Dy{sup 3+} and Sm{sup 3+} to Eu{sup 3+} via a dipole-dipole interaction mechanism. Additional, as the temperature increases from RT to 150 °C, the PL intensity of Tb{sup 3+}-Eu{sup 3+}, Dy{sup 3+}-Eu{sup 3+} and Sm{sup 3+}-Eu{sup 3+} co-doped phosphors decreased to 86%, 85% and 88%, respectively, which prove good thermal stability. All the CIE coordinates of as-prepared phosphors are displayed and show abundant colors, making these materials have potential applications for n-UV-excited white-LEDs.

  18. Crystal structure and luminescence properties of Bi{sup 3+}activated Ca{sub 2}Y{sub 8}(SiO{sub 4}){sub 6}O{sub 2} phosphors under near UV excitation

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Zhihua [Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education, Xian Jiaotong University, Xian 710049, ShannXi (China); International Center for Dielectric Research, Xian Jiaotong University, Xian 710049, ShannXi (China); School of Materials Science and Engineer, Chang’an University, Xi’an 710061, ShannXi (China); Wang, Minqiang, E-mail: mqwang@mail.xjtu.edu.cn [Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education, Xian Jiaotong University, Xian 710049, ShannXi (China); International Center for Dielectric Research, Xian Jiaotong University, Xian 710049, ShannXi (China); Yang, Zhi [Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education, Xian Jiaotong University, Xian 710049, ShannXi (China); International Center for Dielectric Research, Xian Jiaotong University, Xian 710049, ShannXi (China); Liu, Kaiping; Zhu, Feiyan [School of Materials Science and Engineer, Chang’an University, Xi’an 710061, ShannXi (China)

    2016-07-15

    Oxyapatite Ca{sub 2}Y{sub 8−x}(SiO{sub 4}){sub 6}O{sub 2}:xBi{sup 3+}phosphor has been prepared via high temperature solid-state reaction. Its crystal structure and PL properties were investigated by X-ray diffraction, photoluminescence excitation and emission spectra. The results indicated that the Ca{sub 2}Y{sub 8}(SiO{sub 4}){sub 6}O{sub 2} crystallizes as a hexagonal structure with a space group of P6{sub 3}/m and lattice constants of a=b=9.3507 Å, c=6.7899 Å, α=β=90.00°, γ=120.00°, V=514.14 Å{sup 3}; The phosphor has two prominent emission bands: when excited under 320–360 nm, the phosphors emit a broad band centered at 495 nm due to the {sup 3}P{sub 1}–{sup 1}S{sub 0} transition of Bi{sup 3+} in 4f (C{sub 3}) sites; when excited under 380 nm, the phosphors emit a broad band centered at 411 nm due to the {sup 3}P{sub 1}–{sup 1}S{sub 0} transition of Bi{sup 3+} in 6h (C{sub s}) sites. The emission color varies from the greenish blue to blue as the excitation wavelength increases from 335 to 380 nm. The optimal intensity of emission band was observed when x=0.015 in the Ca{sub 2}Y{sub 8−x}(SiO{sub 4}){sub 6}O{sub 2}:xBi{sup 3+} series. The average critical distance Rc among Bi{sup 3+} ions is determined to be 20.15 Å.

  19. Thermoluminescence response of K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3} nanophosphor Co-doped with Eu and Ce for gamma ray dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Patil, B. J. [Dept. of Physics, Abasaheb Garware College, Pune-411004 (India); Bhadane, Mahesh S.; Dahiwale, S. S.; Bhoraskar, V. N.; Dhole, S. D., E-mail: sanjay@physics.unipune.ac.in [Department of Physics, University of Pune, Pune 411007 (India); Mandlik, N. T. [Dept. of Physics, Fergusson College, Pune-411004 (India); Kulkarni, M. S. [Radiation Safety Systems Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Bhatt, B. C. [Radiological Physics and Advisory Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2015-06-24

    K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3} nanophosphors co-doped with Eu and Ce were synthesized by the chemical co-precipitation method. These samples were further annealed at 700 °C structural reformation. The structural and morphological characteristics were studied using XRD and TEM techniques. The particle size calculated from XRD spectra was around 35 nm. The as synthesized sample shows cubic structure annealed at 700 °C. The as synthesized and annealed sample of K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}: EuCe were irradiated with Co{sup 60} gamma rays for the doses from 2Gy to 1kGy. The TL characteristic sample of co-doped were studied for the dosimetric application by gamma radiation. The TL spectrum of annealed sample has single peaked at 160 °C. The Eu doped sample has a high TL sensitivity than Ce doped sample. But after co-doping with Eu and Ce, TL intensity observed to be decreased. The decrees in TL peak intensity of the phosphor on co-doping of Eu and Ce gives an insight into the emission mechanism of the phosphor which involves energy transfer from Eu to Ce. The TL response of all the samples were found to be linear for the dose from 2 Gy to 1 KGy. Therefore, K{sub 2}Ca{sub 2}(SO{sub 4}){sub 3}: EuCe nanophosphor can be used for the measurement of high dose of gamma radiation.

  20. Growth and spectroscopic properties of Er{sup 3+}-doped Li{sub 3}Ba{sub 2}Y{sub 3}(MoO{sub 4}){sub 8} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Song Mingjun, E-mail: smj521@hotmail.com [College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061 (China); Wang Lintong [College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061 (China); Zhao Wang [Department of Physics, Huainan Normal University, Huainan, Anhui 232001 (China); Wang Guofu [Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Zhao Meili; Meng Qingguo [College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061 (China)

    2011-06-15

    Highlights: > Er{sup 3+}:Li{sub 3}Ba{sub 2}Y{sub 3}(MoO{sub 4}){sub 8} crystal was grown by the top seeded solution growth method and the appearance and composition of the crystal were analyzed. > The spectroscopic parameters were calculated based on the Judd-Ofelt theory. > The lifetime of the crystal and powder sample was measured and the radiation trapping effect was discussed. > The up-conversion fluorescence spectra were measured and the possible up-conversion mechanisms were proposed. - Abstract: Er{sup 3+}:Li{sub 3}Ba{sub 2}Y{sub 3}(MoO{sub 4}){sub 8} crystal has been grown by the top seeded solution growth method (TSSG) from a flux of Li{sub 2}MoO{sub 4} and its morphology was analyzed. The polarized absorption spectra, fluorescence spectra and fluorescence decay curves of the crystal were measured. Based on the Judd-Ofelt (J-O) theory, spectroscopic parameters of Er{sup 3+}:Li{sub 3}Ba{sub 2}Y{sub 3}(MoO{sub 4}){sub 8} crystal, including the oscillator intensity parameters {Omega}{sub t} (t = 2, 4, 6), spontaneous emission probabilities, fluorescence branching ratios, and radiative lifetimes were calculated and analyzed. Stimulated emission cross-sections of the {sup 4}I{sub 13/2} {yields} {sup 4}I{sub 15/2} transition were estimated by the reciprocity method (RM) and the Fuchtbauer-Ladenburg (F-L) formula. Five up-conversion fluorescence bands around 490, 530, 550, 660 and 800 nm were observed with 977 nm excitation, and the possible up-conversion mechanisms were proposed.

  1. A study of the x-irradiated Cs sub 5 H sub 3 (SO sub 4) sub 4 centre dot H sub 2 O crystal by EPR in the 80-415 K temperature range

    CERN Document Server

    Waplak, S; Baranov, A I; Shuvalov, L A

    1997-01-01

    The EPR spectra of the x-irradiated fast proton conductor Cs sub 5 H sub 3 (SO sub 4) sub 4 centre dot H sub 2 O were investigated in the temperature range of 80-415 K. Two kinds of paramagnetic SO sub 4 sup - centres with different proton configurations below about 370 K and freeze-out behaviour of one of them below about 200 K were observed. The role of acid proton dynamics with respect to the glassy-like transition is discussed. (author)

  2. Growth, structure and spectral properties of Dy{sup 3+}-doped Li{sub 3}Ba{sub 2}La{sub 3}(MoO{sub 4}){sub 8} crystal for potential use in solid-state yellow lasers

    Energy Technology Data Exchange (ETDEWEB)

    Song, Mingjun, E-mail: smj521@hotmail.com [College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061 (China); Wu, Mingyan [Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Zhou, Weiwei [Department of Chemistry and Chemical Engineering, Huainan Normal University, Huainan, Anhui 232001 (China); Zhou, Xiaojing [College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061 (China); Wei, Bo [School of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu, Jiangsu 215500 (China); Wang, Guofu [Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2014-09-01

    Highlights: • Dy{sup 3+}:Li{sub 3}Ba{sub 2}La{sub 3}(MoO{sub 4}){sub 8} crystal was grown by the top seeded solution growth method. • The morphology, structure and spectral properties of the crystal were studied. • The main spectroscopic parameters were calculated by J–O theory and F–L formula. • The fluorescence dynamics was analyzed based on the Inokuti–Hirayama (I–H) model. • Comparisons with other reported crystals were made and the prospect was concluded. - Abstract: Dy{sup 3+}:Li{sub 3}Ba{sub 2}La{sub 3}(MoO{sub 4}){sub 8} crystal has been grown by the top seeded solution growth (TSSG) method from a flux of Li{sub 2}MoO{sub 4} and its morphology, structure and spectral properties were investigated. The crystal crystallizes in the monoclinic system with the space group C2/c, and the unit cell parameters are a = 5.3091(5), b = 13.0211(11), c = 19.3301(15), β = 90.891(7)°, V = 1336.1(2) Å{sup 3}. Based on the Judd–Ofelt (J–O) theory and the Füchtbauer–Ladenburg (F–L) formula, the main spectroscopic parameters of Dy{sup 3+}:Li{sub 3}Ba{sub 2}La{sub 3}(MoO{sub 4}){sub 8} crystal, including the intensity parameters Ω{sub t} (t = 2, 4, 6), spontaneous emission probabilities, radiative lifetimes and emission cross sections were calculated and analyzed. The room temperature decay curve was analyzed through the frame work of the Inokuti–Hirayama (I–H) model and the results shows that electric dipole–dipole interaction is responsible for the energy transfer processes in Dy{sup 3+}:Li{sub 3}Ba{sub 2}La{sub 3}(MoO{sub 4}){sub 8} crystal.

  3. Copper(II) perrhenate Cu(C{sub 3}H{sub 7}OH){sub 2}(ReO{sub 4}){sub 2}: Synthesis from isopropanol and CuReO{sub 4}, structure and properties

    Energy Technology Data Exchange (ETDEWEB)

    Mikhailova, D., E-mail: d.mikhailova@ifw-dresden.de [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, D-76434 Eggenstein-Leopoldshafen (Germany); Institute for Complex Materials, IFW Dresden, Helmholtzstrasse 20, D-01069 Dresden (Germany); Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, D-01187 Dresden (Germany); Engel, J.M. [Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 2, D-64287 Darmstadt (Germany); Schmidt, M. [Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, D-01187 Dresden (Germany); Tsirlin, A.A. [National Institute of Chemical Physics and Biophysics, Akadeemia tee 23, 12618 Tallinn (Estonia); Ehrenberg, H. [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, D-76434 Eggenstein-Leopoldshafen (Germany); Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 2, D-64287 Darmstadt (Germany)

    2015-12-15

    The crystal structure of Cu{sup +}Re{sup 7+}O{sub 4} is capable of a quasi-reversible incorporation of C{sub 3}H{sub 7}OH molecules. A room-temperature reaction between CuReO{sub 4} and C{sub 3}H{sub 7}OH under oxidizing conditions leads to the formation of a novel metal-organic hybrid compound Cu{sup 2+}(C{sub 3}H{sub 7}OH){sub 2}(ReO{sub 4}){sub 2}. Upon heating under reducing conditions, this compound transforms back into CuReO{sub 4}, albeit with ReO{sub 2} and metallic Cu as by-products. The crystal structure of Cu(C{sub 3}H{sub 7}OH){sub 2}(ReO{sub 4}){sub 2} solved from single-crystal X-ray diffraction (Pbca, a=10.005(3) Å, b=7.833(2) Å, and c=19.180(5) Å) reveals layers of corner-sharing CuO{sub 6}-octahedra and ReO{sub 4}-tetrahedra, whereas isopropyl groups are attached to both sides of these layers, thus providing additional connections within the layers through hydrogen bonds. Cu(C{sub 3}H{sub 7}OH){sub 2}(ReO{sub 4}){sub 2} is paramagnetic down to 4 K because the spatial arrangement of the Cu{sup 2+} half-filled orbitals prevents magnetic superexchange. The paramagnetic effective moment of 2.0(1) μ{sub B} is slightly above the spin-only value and typical for Cu{sup 2+} ions. - Highlights: • Novel Cu(C{sub 3}H{sub 7}OH){sub 2}(ReO{sub 4}){sub 2} compound has a sequence of inorganic and organic layers. • Hydrogen bonds provide an additional bonding Isopropanol molecules serve as a reducing agent during decomposition. • No direct Cu-O-Re-O-Cu connections via d{sub x2-y2} orbital of Cu{sup 2+} explain paramagnetism. • Hydrogen bonds provide an additional bonding. • Isopropanol molecules serve as a reducing agent during decomposition.

  4. A facile method to synthesize nitrogen and fluorine co-doped TiO{sub 2} nanoparticles by pyrolysis of (NH{sub 4}){sub 2}TiF{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Chen Daimei; Jiang Zhongyi; Geng Jiaqing; Zhu Juhong; Yang Dong, E-mail: dyangdong@hotmail.co [Tianjin University, Key Laboratory for Green Chemical Technology, School of Chemical Engineering and Technology (China)

    2009-02-15

    The nitrogen and fluorine co-doped TiO{sub 2} (N-F-TiO{sub 2}) nanoparticles of anatase crystalline structure were prepared by a facile method of (NH{sub 4}){sub 2}TiF{sub 6} pyrolysis, and characterized by thermogravimetry-differential thermal analysis (TG-DTA), X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet visible (UV-Vis) spectroscopy etc. With the increase of calcination temperature, (NH{sub 4}){sub 2}TiF{sub 6} decomposed into TiOF{sub 2} and NH{sub 4}TiOF{sub 3} at first, and then formed anatase-type TiO{sub 2} with thin sheet morphology. H{sub 3}BO{sub 3} as oxygen source can promote the formation of anatase TiO{sub 2}, but decrease the F content in the N-F-TiO{sub 2} materials due to the formation of volatile BF{sub 3} during the precursor decomposition. The photocatalytic activity of the obtained N-F-TiO{sub 2} samples was evaluated by the methylene blue degradation under visible light, and all the samples exhibited much higher photocatalytic activity than P25. Moreover, the merits and disadvantages of this proposed method to prepare doped TiO{sub 2} are discussed.

  5. Tunable emission and the systematic study on energy-transfer properties of Ce{sup 3+}- and Tb{sup 3+}-co-doped Sr{sub 3}(PO{sub 4}){sub 2} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhijun [Guangzhou Maritime Institute, Department of Shipping Engineering, Guangzhou (China)

    2015-09-15

    An emitting color tunable phosphor Sr{sub 3}(PO{sub 4}){sub 2}:Ce{sup 3+}, Tb{sup 3+} was synthesized by the traditional high-temperature solid-state reaction method. The photoluminescence and energy-transfer (ET) properties of Ce{sup 3+}- and Tb{sup 3+}-doped Sr{sub 3}(PO{sub 4}){sub 2} host were studied in detail. The obtained phosphors show both a blue emission from Ce{sup 3+} and a yellowish green emission from Tb{sup 3+} with considerable intensity under ultraviolet (UV) excitation (∝311 nm). When the content of Ce{sup 3+} was fixed at 0.03, the emission chromaticity coordinates could be adjusted from blue to green region by tuning the contents of Tb{sup 3+} ions with the aid of ET process. The critical distance between Ce{sup 3+} and Tb{sup 3+} is 14.69 A. The ET mechanism from Ce{sup 3+} to Tb{sup 3+} ions was identified with dipole-dipole interaction. The obtained phosphor exhibits a strong excitation in UV spectral region and high-efficient ET from Ce{sup 3+} to Tb{sup 3+} ions. It may find applications as a green light-emitting UV-convertible phosphor in white LED devices. (orig.)

  6. Electrical and optical properties of thermally-evaporated thin films from A{sub 2}[TiO(C{sub 2}O{sub 4}){sub 2}] (A = K, PPh{sub 4}) and 1,8-dihydroxyanthraquinone

    Energy Technology Data Exchange (ETDEWEB)

    Carbia-Ruelas, E. [Coordinacion de Ingenieria Mecatronica. Facultad de Ingenieria, Universidad Anahuac Mexico Norte. Avenida Universidad Anahuac 46, Col. Lomas Anahuac, 52786, Huixquilucan (Mexico); Sanchez-Vergara, M.E., E-mail: elena.sanchez@anahuac.mx [Coordinacion de Ingenieria Mecatronica. Facultad de Ingenieria, Universidad Anahuac Mexico Norte. Avenida Universidad Anahuac 46, Col. Lomas Anahuac, 52786, Huixquilucan (Mexico); Garcia-Montalvo, V. [Instituto de Quimica, Universidad Nacional Autonoma de Mexico. Circuito Exterior, Ciudad Universitaria, 04510, Mexico, D. F (Mexico); Morales-Saavedra, O.G. [Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, CCADET-UNAM. A. P. 70-186, Coyoacan, 04510, Mexico, D. F (Mexico); Alvarez-Bada, J.R. [Coordinacion de Ingenieria Mecatronica. Facultad de Ingenieria, Universidad Anahuac Mexico Norte. Avenida Universidad Anahuac 46, Col. Lomas Anahuac, 52786, Huixquilucan (Mexico)

    2011-02-01

    In this work, the synthesis of molecular materials formed from A{sub 2}[TiO(C{sub 2}O{sub 4}){sub 2}] (A = K, PPh4) and 1,8 dihydroxyanthraquinone is reported. The synthesized materials were characterized by atomic force microscopy (AFM), infrared (IR) and ultraviolet-visible (UV-vis) spectroscopy. IR spectroscopy showed that the molecular-material thin-films, deposited by vacuum thermal evaporation, exhibit the same intra-molecular vibration modes as the starting powders, which suggests that the thermal evaporation process does not alter the initial chemical structures. Electrical transport properties were studied by dc conductivity measurements. The electrical activation energies of the complexes, which were in the range of 0.003-1.16 eV, were calculated from Arrhenius plots. Optical absorption studies in the wavelength range of 190-1090 nm at room temperature showed that the optical band gaps of the thin films were around 1.9-2.3 eV for direct transitions Eg{sub d}. The cubic NLO effects were substantially enhanced for materials synthesized from K{sub 2}[TiO(C{sub 2}O{sub 4}){sub 2}], where {chi}{sup (3)} (-3{omega}; {omega}, {omega}, {omega}) values in the promising range of 10{sup -12} esu have been evaluated.

  7. Theoretical studies of the local structures and EPR parameters for the rhombic Cu{sup 2+} center in Cu{sub 0.5}Zr{sub 2}(PO{sub 4}){sub 3} phosphate

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chao-Ying [Shangrao Normal College, Jiangxi (China). College of Physics and Electronic Information; Huang, Ying; Tu, Qiu [Shangrao Normal College, Jiangxi (China). School of Physics and Electronic Information

    2015-07-01

    The local structure of the rhombic Cu{sup 2+} center in Cu{sub 0.5}Zr{sub 2}(PO{sub 4}){sub 3} phosphate is investigated by using the high-order perturbation formulas of electron paramagnetic resonance (EPR) parameters, g-factors g{sub i} (i = x, y, z), and hyperfine structure constants A{sub i} for 3d{sup 9} ions in rhombically elongated octahedral symmetry. According to the studies, the local axial distortion angle Δα (∼ 5.1 ) and the planar bond angle θ (∼ 83.8 ) in [CuO{sub 6}]{sup 10-} cluster was obtained. The theoretical EPR parameters based on the aforementioned local structure parameters show good agreement with the observed values, and some improvement have been made as compared with the previous studies.

  8. Dielectric relaxation study of Pb sub 1 sub - sub x La sub x MoO sub 4 sub + subdelta (x = 0-0.3) oxide-ion conductors

    CERN Document Server

    Zhang, G G; Wang, X P; Yi, Z G

    2003-01-01

    DC conductivity and dielectric relaxation measurements are exploited to study the influence of La substitution on the dielectric properties and oxygen-ion transportation in PbMoO sub 4 samples. The DC conductivity of La-doped samples is about 10 sup - sup 3 S cm sup - sup 1 around 1073 K. A dielectric loss peak with activation energy of 0.6-0.8 eV is observed in the temperature spectrum as well as in the frequency spectrum for all La-doped PbMoO sub 4 samples. With increasing La doping content, this peak becomes higher and shifts to higher temperature or lower frequency, and the activation energy becomes larger. It is suggested that this dielectric loss peak is associated with the short-distance diffusion of oxygen ions (or oxygen vacancies) between the 16f and 8e sites of the scheelite structure type with I4 sub 1 /a symmetry.

  9. Synthesis and electrochemical properties of KPb{sub 4−x}Ca{sub x}(PO{sub 4}){sub 3} (0 ≤ x ≤ 1.5) for oxidation of cadmium at graphite electrode

    Energy Technology Data Exchange (ETDEWEB)

    Lahrich, Sara [Univ Hassan 1, Laboratoire de Chimie et Modélisation Mathématique, Faculté Polydisciplinaire, 25000 Khouribga (Morocco); Univ Hassan 1, Laboratoire Sciences des Matériaux, des Milieux et de la Modélisation, Faculté Polydisciplinaire, 25000 Khouribga (Morocco); Manoun, Bouchaib [Univ Hassan 1, Laboratoire Sciences des Matériaux, des Milieux et de la Modélisation, Faculté Polydisciplinaire, 25000 Khouribga (Morocco); El Mhammedi, Moulay Abderrahim, E-mail: elmhammedi@yahoo.fr [Univ Hassan 1, Laboratoire de Chimie et Modélisation Mathématique, Faculté Polydisciplinaire, 25000 Khouribga (Morocco)

    2017-02-15

    Chemically modified carbon paste electrode (CPE) for cadmium (II) analysis has been constructed by mixing KPb{sub 4−x}Ca{sub x}(PO{sub 4}){sub 3} (0 ≤ x ≤ 1.5) (CaLA) and graphite powder. The lacunar apatite was synthesized using solid reaction and characterized by X-ray diffraction (XRD), infrared spectroscopy (IR) and Raman spectroscopy. The refinement study was carried out using Rietveld method where the obtained results show a good agreement between the observed and calculated patterns. The detection of cadmium (II) was investigated in acetate buffer (pH 4.5) using differential pulse anodic stripping voltammetry (DPASV). The limit of detection obtained under the optimized experimental conditions was 5.35 × 10{sup −7} mol L{sup −1} with a relative standard deviation of 2.37%. Possible interferences were tested and evaluated in 5.0 × 10{sup −5} mol L{sup −1} cadmium (II) in the presence of other inorganic ions. Finally, the proposed method was successfully applied to determine cadmium (II) in seawater and mussel samples. Hence, the satisfactory results confirm the applicability of this sensor in practical analysis. - Highlights: • Synthesis and characterization of new lacunar apatites KPb{sub 4−x}Ca{sub x}(PO{sub 4}){sub 3} (0 ≤ x ≤ 1.5). • Structural refinement of these compounds using Rietveld method. • A study of Ca doping effect in lacunar apatites for detecting Cd (II). • The electrochemical oxidation of Cd (II) was performed at CaLA-CPE using DPASV. • The proposed method was evaluated to detect cadmium in seawater and mussel samples.

  10. Structural flexibility in magnetocaloric RE5T4sub> (RE=rare-earth; T=Si,Ge,Ga) materials: Effect of chemical substitution on structure, bonding and properties

    Energy Technology Data Exchange (ETDEWEB)

    Misra, Sumohan [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    The binary, ternary and multicomponent intermetallic compounds of rare-earth metals (RE) with group 14 elements (Tt) at the RE5Tt4sub> stoichiometry have been known for over 30 years, but only in the past decade have these materials become a gold mine for solid-state chemistry, materials science and condensed matter physics. It all started with the discovery of a giant magnetocaloric effect in Gd5Si2Ge2, along with other extraordinary magnetic properties, such as a colossal magnetostriction and giant magnetoresistance. The distinctiveness of this series is in the remarkable flexibility of the chemical bonding between well-defined, subnanometer-thick slabs and the resultant magnetic, transport, and thermodynamic properties of these materials. This can be controlled by varying either or both RE and Tt elements, including mixed rare-earth elements on the RE sites and different group 14 (or T = group 13 or 15) elements occupying the Tt sites. In addition to chemical means, the interslab interactions are also tunable by temperature, pressure, and magnetic field. Thus, this system provides a splendid 'playground' to investigate the interrelationships among composition, structure, physical properties, and chemical bonding. The work presented in this dissertation involving RE5T4sub> materials has resulted in the successful synthesis, characterization, property measurements, and theoretical analyses of various new intermetallic compounds. The results provide significant insight into the fundamental magnetic and structural behavior of these materials and help us better understand the complex link between a compound's composition, its observed structure, and its properties.

  11. Effect of Spin-Crossover-Induced Pore Contraction on CO2–Host Interactions in the Porous Coordination Polymers [Fe(pyrazine)M(CN)4sub>] (M = Ni, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Culp, Jeffrey T; Chen, De-Li; Liu, Jinchen; Chirdon, Danielle; Kauffman, Kristi; Goodman, Angela; Johnson, J Karl

    2013-02-01

    Variable-temperature in situ ATR-FTIR spectra are presented for the porous spin-crossover compounds [Fe(pyrazine)Ni(CN)4sub>] and [Fe(pyrazine)Pt(CN)4sub>] under CO2 pressures of up to 8 bar. Significant shifts in the ν3 and ν2 IR absorption bands of adsorbed CO2 are observed as the host materials undergo transition between low- and high-spin states. Computational models used to determine the packing arrangement of CO2 within the pore structures show a preferred orientation of one of the adsorbed CO2 molecules with close O=C=O···H contacts with the pyrazine pillar ligands. The interaction is a consequence of the commensurate distance of the inter-pyrazine separations and the length of the CO2 molecule, which allows the adsorbed CO2 to effectively bridge the pyrazine pillars in the structure. The models were used to assign the distinct shifts in the IR absorption bands of the adsorbed CO2 that arise from changes in the O=C=O···H contacts that strengthen and weaken in correlation with changes in the Fe–N bond lengths as the spin state of Fe changes. The results indicate that spin-crossover compounds can function as a unique type of flexible sorbent in which the pore contractions associated with spin transition can affect the strength of CO2–host interactions.

  12. An alginic acid assisted rheological phase synthesis of carbon coated Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} with high-rate performance

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yue, E-mail: tju_wuyue@163.com [Department of Applied Chemistry, School of Chemical and Engineering, Tianjin University, Tianjin 300072 (China); Tang, Zhiyuan [Department of Applied Chemistry, School of Chemical and Engineering, Tianjin University, Tianjin 300072 (China); Guo, Xuyun [Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong Special Administrative Region (Hong Kong); Du, Chenqiang [Department of Applied Chemistry, School of Chemical and Engineering, Tianjin University, Tianjin 300072 (China); Zhang, Xinhe [McNair Technology Co., Ltd., Dongguan, Guangdong 523700 (China)

    2014-12-15

    Highlights: • Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C sample was prepared by a modified rheological phase reaction method. • Alginic acid was firstly used as a promising carbon source and investigated. • LVP/C exhibits excellent rate and cycling performances in different voltage ranges. • LVP/C delivers the largest discharge capacity of 61.4 mAh g{sup −1} at 90 C rate in 3.0–4.3 V. • LVP/C can cycle 400 times with slight capacity fading at 20 C high rate in 3.0–4.8 V. - Abstract: A nanoscaled Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C(LVP/C) composite is successfully synthesized via a modified rheological phase method. Alginic acid is applied as a new carbon source and ethylene glycol is used as the dispersant, and both of which play multifaceted roles during the synthetic route. A series of intensive investigations shows that the LVP/C composite possesses a three-dimensional carbon network and a loose structure, which provide discontinuous electronic and ionic pathways. The electrochemical performance of the LVP/C cathode is revealed to be impressive in terms of capacity, high-rate capability and long-life cycleability. Between 3.0 and 4.3 V, it delivers a discharge capacity of 132.3 mAh g{sup −1} at 0.5 C rate, approaching the theoretical value, and can cycle at a rate as high as 40 C without obvious capacity fading. Most distinctively, when discharged at 90 C ultrahigh rate (charged at 5 C rate), the largest capacity of 61.4 mAh g{sup −1} can still be available, after 600 cycles the capacity retention can still maintain 76%. When operated within 3.0–4.8 V, it cannot only discharge the initial capacity of 184.1 mAh g{sup −1} at 0.1 C, but also exhibit a stable cycling performance at 20 C for 400 cycles. These excellent performances can be fundamentally attributed to the high electronic/ionic conductivities which are related closely to the modified rheological phase preparation route and the promising new carbon source.

  13. Judd-Ofelt analysis and temperature dependent upconversion luminescence of Er{sup 3+}/Yb{sup 3+} codoped Gd{sub 2}(MoO{sub 4}){sub 3} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Hongyu [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Gao, Yachen [College of Electronic Engineering, Heilongjiang University, Harbin 150080 (China); Hao, Haoyue; Shi, Guang [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Li, Dongyu [Department of Physics, Lingnan Normal University, Zhanjiang 524048 (China); Song, Yinglin [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Wang, Yuxiao, E-mail: wangyx@hit.edu.cn [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Zhang, Xueru, E-mail: xrzhang@hit.edu.cn [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China)

    2017-06-15

    Although lanthanide doped luminescent materials have been extensively investigated, a quantitative analysis of how temperature affects upconversion luminescence is still incomplete. The Gd{sub 2}(MoO{sub 4}){sub 3}:Er{sup 3+}/Yb{sup 3+} phosphor is synthetized by sol-gel method. Based on the absorption spectra of Er{sup 3+} ions, J-O intensity parameters and radiative transition probabilities are computed to estimate the optical properties. In view of ion-phonon interaction, the phonon-assisted energy transfer and multiphonon relaxation are responsible for the temperature dependent luminescence. Additionally, cross relaxation probability for {sup 4}I{sub 11/2}+{sup 4}I{sub 11/2}→{sup 4}I{sub 15/2}+{sup 4}F{sub 7/2} is determined to be 240 s{sup −1} through quantitative simulation of ion-ion interaction. These meaningful results are of vital values for the field of laser crystal and optical temperature sensing.

  14. Crystal structure and Mössbauer spectroscopy of a new iron phosphate Mg{sub 2.88}Fe{sub 4.12}(PO{sub 4}){sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Saad, Y. [UR Matériaux Inorganiques, Faculté des Sciences, 5019 Monastir (Tunisia); Hidouri, M., E-mail: mourad_hidouri@yahoo.fr [UR Matériaux Inorganiques, Faculté des Sciences, 5019 Monastir (Tunisia); Álvarez-Serrano, I.; Veiga, M.L. [Departamento de Química Inorgánica I, Facultad de Ciencias Químicas, Universidad Complutense, 28040 Madrid (Spain); Wattiaux, A. [Institut de Chimie de la Matière Condensée de Bordeaux, CNRS, Université de Bordeaux I, 87 Avenue du Dr. A. Schweitzer, 33608 Pessac-Cedex (France); Amara, Mongi B. [UR Matériaux Inorganiques, Faculté des Sciences, 5019 Monastir (Tunisia)

    2014-01-25

    Highlights: • This study reports the synthesis and characterization of a new iron phosphate. • The cationic distribution is supported by a Mössbauer spectroscopy study. • The magnetic susceptibility results are discussed. -- Abstract: A new mixed valence iron phosphate Mg{sub 2.88}Fe{sub 4.12}(PO{sub 4}){sub 6} has been prepared as single crystals by the flux method and as a powder by solid state reaction and its crystal structure has been determined by X-ray diffraction. This compound crystallises in the triclinic system with space group P1{sup ¯} and a = 6.325(5) Å, b = 7.911(3) Å, c = 9.271(3) Å, α = 104.62(1)°, β = 108.41(1)° and γ = 101.24(1)° and Z = 1. Its structure is similar to that of the mineral howardevansite. It consists of Fe{sub 2}O{sub 10} bioctahedral units and MgO{sub 5} trigonal bipyramids sharing edges to form infinite zigzag chains. Such chains are linked to each other by MO{sub 6} (0.88 Mg{sup 2+} + 0.12 Fe{sup 2+}) octahedra and PO{sub 4} tetrahedra resulting in a 3D covalent framework. Magnetic measurements indicated two successive transitions at 46 K and 22 K. Mössbauer spectroscopy confirmed the mixed valence of iron and gave accurate information about its local environment.

  15. Understanding the Mechanisms Underlying Heterotrophic CO2 and CH4sub> Fluxes in a Peatland with Deep Soil Warming and Atmospheric CO2 Enrichment

    Energy Technology Data Exchange (ETDEWEB)

    Bridgham, Scott D. [Univ. of Oregon, Eugene, OR (United States). Inst. of Ecology and Evolution; Keller, Jason K. [Chapman Univ., Orange, CA (United States). Schmid College of Science and Technology; Zhuang, Qianlai [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth and Atmospheric Sciences and Agronomy

    2016-09-12

    This project was funded from June 15, 2012 through June 15, 2015, with a no-cost extension until Sept. 15, 2016. Our project focused on a whole-ecosystem warming and enhanced atmospheric CO2 experiment in the S1 Bog in Marcell Experimental Forest in northern Minnesota, USA called “Spruce and Peatland Responses Under Climatic and Environmental Change” (SPRUCE; http://mnspruce.ornl.gov). Construction of substantial infrastructure required for these treatments was beyond our control and led to a staggered initiation of experimental treatments at this site. Deep peat heating (DPH) was instituted in June 2014, whole-ecosystem warming began in August 2015, and the CO2 enhancement began in June 2016. Prior to the initiation of the experimental treatments, we completed a large amount of research to better understand factors controlling anaerobic carbon (C) cycling, and particularly methane (CH4sub>) dynamics, in northern peatlands in an effort to put the SPRUCE project in a broader context. We additionally focused extensively on the DPH treatment, which provided a unique opportunity to isolate warming effects on the vast reservoir of permanently anaerobic C stored in peatlands below the water table.

  16. Synthesis and investigation of photo/cathodoluminescence properties of a novel green emission phosphor Sr{sub 8}ZnLu(PO{sub 4}){sub 7}:Eu{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Long, Qiang; Wang, Chuang; Li, Yanyan; Ding, Jianyan [Department of Materials Science, School of Physical Science and Technology, Lanzhou University (China); Key Laborary of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, Tianshui South Road No. 222, Lanzhou, Gansu 730000 (China); Wang, Yuhua, E-mail: wyh@lzu.edu.cn [Department of Materials Science, School of Physical Science and Technology, Lanzhou University (China); Key Laborary of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, Tianshui South Road No. 222, Lanzhou, Gansu 730000 (China)

    2016-06-25

    An Eu{sup 2+}-activated Sr{sub 8}ZnLu(PO{sub 4}){sub 7} (SZLP:Eu{sup 2+}) green emitting phosphor was synthesized and its crystal structure has been refined and determined from the XRD profiles by Rietveld refinement method. The excitation spectra of the SZLP:Eu{sup 2+} phosphors covered the range from 250 to 450 nm, which matches well with n-UV chips. SZLP:Eu{sup 2+} exhibited broad-band green emission centered at about 520 nm under 400 nm irradiation with a high quantum efficiency (QE) value of 67.4% and good thermal stability, its emission intensity remains 77% at 150 °C of that measured at room temperature. In addition, to investigate its application in field emission displays, the cathodoluminescence spectra of SZLP:Eu{sup 2+} as a function of the accelerating voltage, probe current and the electron radiation time were also measured and discussed in detail. Excellent degradation resistance properties with good color stability were obtained by continuous low-voltage electron-beam excitation of the phosphor. - Highlights: • An novel green emitting phosphor was firstly synthesized by solid state reaction. • The excitation spectra match well with n-UV chips and the quantum efficiency is 67.4%. • The thermal stability of the phosphor is superior to commercial phosphors.

  17. Conductivity fluctuation and superconducting parameters of the YBa{sub 2}Cu{sub 3-} {sub x} (PO{sub 4}) {sub x} O{sub 7-} {sub {delta}} material

    Energy Technology Data Exchange (ETDEWEB)

    Rojas Sarmiento, M.P. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 14490, Bogota DC (Colombia); Uribe Laverde, M.A. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 14490, Bogota DC (Colombia); Vera Lopez, E. [Grupo de Superficies, Electroquimica y Corrosion, UPTC, Tunja (Colombia); Landinez Tellez, D.A. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 14490, Bogota DC (Colombia); Roa-Rojas, J. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 14490, Bogota DC (Colombia)]. E-mail: jroar@unal.edu.co

    2007-09-01

    Synthesis of the YBa{sub 2}Cu{sub 3-} {sub x} (PO{sub 4}) {sub x} O{sub 7-} {sub {delta}} superconducting material by the standard solid-state reaction is reported. DC resistivity measurements reveal the improvement of the critical temperature (T {sub C}) when substitution of phosphate in the Cu sites is performed. A bulk T {sub C}=97 K was determined by the criterion of the maximum in the temperature derivative of electrical resistivity. Structure characterization by means the X-ray diffraction technique shows the crystalline appropriated distribution of PO{sub 4} into the CuO{sub 2} superconducting planes. In order to examine the effect of phosphates on the pairing mechanism close to T {sub C}, conductivity fluctuation analysis was performed by the method of logarithmic temperature derivative of the conductivity excess. We found the occurrence of Gaussian-like fluctuations. The correlations of the critical exponents with the dimensionality of the fluctuation system for each Gaussian regime were performed by using the Aslamazov-Larkin theory. The Ginzburg number for this superconducting material is predicted and the critical magnetic fields, critical current density and the jump in the specific heat at the critical temperature are theoretically determined.

  18. The investigation of usage of fluorapatite mineral (Ca{sub 5}F(PO{sub 4}){sub 3}) in tooth enamel under the different pre-irradiation thermal treatments

    Energy Technology Data Exchange (ETDEWEB)

    Toktamiş, Hüseyin, E-mail: toktamis@gantep.edu.tr [University of Gaziantep, Department of Engineering Physics, 27310 Gaziantep (Turkey); Toktamiş, Dilek; Yilmaz, S. Merve; Yazici, A. Necmeddin [University of Gaziantep, Department of Engineering Physics, 27310 Gaziantep (Turkey); Yildirim, Cihan [University of Gaziantep, Faculty of Dentistry, 27310 Gaziantep (Turkey); Özbiçki, Özlem [Dentalazer Hospital, 27310 Gaziantep (Turkey)

    2015-01-20

    Highlights: • The fluorapatite mineral extracted from tooth enamel shows TL properties. • The pre-irradiation annealing process affects the TL glow curve shape. • A huge increase was observed in maximum TL for sample annealed at 1100 °C. • Annealing about 120 min causes a huge enhancement in maximum TL peak intensity • The best reproducibility is obtained at 1000 °C of annealing temperature. - Abstract: Fluorapatite Ca{sub 5}F(PO{sub 4}){sub 3} is a kind of important thermoluminescence dosimeter (TLD) material, because the effective atomic number of fluorapatite is close to that of human bones and teeth. In the present study, thermoluminescence (TL) properties of fluorapatite mineral in tooth enamel under the different annealing temperatures with various annealing times were investigated. This study reveals that the fluorapatite in tooth enamel exhibits TL properties. Annealing of the sample affects extremely the TL glow curve and causes a huge enhancement in the sensitization of TL peak. The sample annealed at 1000 °C about 120 min gives best TL peak intensity (150 factors than un-annealed sample) and has a distinct peak around 230 °C. Also, the best reproducibility was observed for 1000 °C annealed sample temperature while un-annealed sample shows the worst reproducibility. Moreover, a good linearity in dose response is observed in the samples annealed at 400 °C and 700 °C.

  19. Preparation and properties of Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} by spray-drying and post-calcining method

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Bo; Li, Xinhai, E-mail: yangbo@csu.edu.cn; Guo, Huajun; Wang, Zhixing; Xiao, Wei

    2015-09-15

    Highlights: • The spray-drying method is a simple and energy-saving method to prepare LATP. • The compounds with single phase structure of LATP were synthesized at 700–900 °C. • The ionic conductivity of the prepared LATP was maximized at 0.622 mS cm{sup −1} at 800 °C. - Abstract: Solid state electrolyte Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} is synthesized by spray-drying and post-calcining method. X-ray diffraction is employed to characterize the powders calcined in the range of 700–900 °C for 2 h, which indicates powders are well crystallized. FTIR shows trivalent cation Al{sup 3+} is substituted by Ti{sup 4+}. The composite material appears as 2–5 μm spherical particle. TG–DTA results confirm that the thermal decomposition of precursors obtained by spray-drying method occurred at lower temperature compares with solid phase synthesis method and sol–gel method. The ionic conductivity of the pellets reaches a maximum of 0.622 mS cm{sup −1} at calcining temperature of 800 °C.

  20. Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH 3 CH 2 NH 3 ) 4sub> Pb 3 Br 10–x Cl x

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar [Institut; Katan, Claudine [Institut; Even, Jacky [Fonctions; Wasielewski, Michael R.; Kanatzidis, Mercouri G.

    2017-08-16

    Two-dimensional (2D) hybrid halide perovskites come as a family (B)2(A)n-1PbnX3n+1 (B and A= cations; X= halide). These perovskites are promising semiconductors for solar cells and optoelectronic applications. Among the fascinating properties of these materials is white-light emission, which has been mostly observed in single-layered 2D lead bromide or chloride systems (n = 1), where the broad emission comes from the transient photoexcited states generated by self-trapped excitons (STEs) from structural distortion. Here we report a multilayered 2D perovskite (n = 3) exhibiting a tunable white-light emission. Ethylammonium (EA+) can stabilize the 2D perovskite structure in EA4sub>Pb3Br10–xClx (x = 0, 2, 4, 6, 8, 9.5, and 10) with EA+ being both the A and B cations in this system. Because of the larger size of EA, these materials show a high distortion level in their inorganic structures, with EA4Pb3Cl10 having a much larger distortion than that of EA4sub>Pb3Br10, which results in broadband white-light emission of EA4sub>Pb3Cl10 in contrast to narrow blue emission of EA4Pb3Br10. The average lifetime of the series decreases gradually from the Cl end to the Br end, indicating that the larger distortion also prolongs the lifetime (more STE states). The band gap of EA4sub>Pb3Br10–xClx ranges from 3.45 eV (x = 10) to 2.75 eV (x = 0), following Vegard’s law. First-principles density functional theory calculations (DFT) show that both EA4sub>Pb3Cl10 and EA4sub>Pb3Br10 are direct band gap semiconductors. The color rendering index (CRI) of the series improves from 66 (EA4sub>Pb3Cl10) to 83 (EA4sub>Pb3Br0.5Cl9.5), displaying high tunability and versatility of the

  1. Critical Behavior of Thermal Expansion and Magnetostriction in the Vicinity of the First order transition at the Curie Point of Gd5(SixGe1-x)4sub>

    Energy Technology Data Exchange (ETDEWEB)

    Han, Mangui [Iowa State Univ., Ames, IA (United States)

    2004-01-01

    Thermal expansion (TE) and magnetostriction (MS) measurements have been conducted for Gd5(SixGe1-x)4sub> with a series of x values to study its critical behavior in the vicinity of transition temperatures. It was found that the Curie temperature of Gd5(SixGe1-x)4sub> for x 0 ~ 0.5 is dependent on magnetic field, direction of change of temperature (Tc on cooling was lower than Tc on heating), purity of Gd starting material, compositions, material preparation methods, and also can be triggered by the external magnetic field with a different dT/dB rate for different x values. For Gd5(Si1.95Ge2.05), Gd5(Si2Ge2), Gd5(Si2.09Ge1.91), it was also found that the transition is a first order magneto-structural transition, which means the magnetic transition and crystalline structure transition occur simultaneously, and completely reversible. Temperature hysteresis and phase coexistence have been found to confirm that it is a first order transformation. While for Gd5(Si0.15Ge3.85), it is partially reversible at some temperature range between the antiferromagnetic and the ferromagnetic state. For Gd5(Si2.3Ge1.7) and Gd5(Si3Ge1), it was a second order transformation between the paramagnetic and ferromagnetic state, because no ΔT have been found. Giant magnetostriction was only found on Gd5(Si1.95Ge2.05), Gd5(Si2Ge2), Gd5(Si2.09Ge1.91) in their vicinity of first order transformation. MFM images have also been taken on polycrystal sample Gd5(Si2.09Ge1.91) to investigate the transformation process. The results also indicates that the Curie temperature was lower and the thermally

  2. Fluxes of CO2, CH4sub>, CO, BVOCs, NOx, and O3 in an Old Growth Amazonian Forest: Ecosystem Processes, Carbon Cycle, Atmospheric Chemistry, and Feedbacks on Climate

    Energy Technology Data Exchange (ETDEWEB)

    Wofsy, Steven C. [Harvard Univ., Cambridge, MA (United States)

    2016-12-20

    A comprehensive, merged data set of trace gases (NO, NO2, CO2, CH4sub> and O3) along with has been tabulated and subjected to meticulous quality assurance and quality control (QA/QC). The merged data set is being submitted to the ARM website dedicated to the Green Ocean Experiment: https://www.arm.gov/research/campaigns/amf2014goamazon Analysis using the final data set is in progress to determine the magnitudes of the fluxes for CH4sub>, H2O, CO2, O3, NOx, sensible and latent heat, momentum, and their seasonal variations. Here are summary statements, from the discussion above: Total NO fluxes were calculated following Keller et al., 1986. A vertical gradient is established in the mixing ratio of NO because it is emitted at the soil surface and mixed upward in the atmosphere (see above). Once in the atmosphere, the NO reacts rapidly with O3 to produce NO2 (NO + O3 → NO2 + O2). Therefore, if the vertical profiles of the mixing ratios of NO and O3 are known, the surface flux of NO may be determined. If any other reaction removes NO (e.g., deposition on leaves), FNO should estimate the lower limit to the NO flux from the soil in this forest. Our preliminary results show fluxes of NO averaged 133 x 109 molecules cm-2 s-1, a factor of 4 higher than fluxes previously observed in white sand soils in the Amazon, and a factor of 3 to 14 higher than fluxes observed for yellow clay soils (Bakwin et al., 1990 and references therein). The soil in the km 67 site is predominately oxisol with pockets of sandy ultisols, both having low reduced nutrient contents, mostly due to efficient microorganism decomposition and acid leaching by rain water. Oxisols contain both oxidized and reduced forms of nitrogen, of which concentrations vary independently of leaching (Jordan et al., 1982), with most

  3. Downshifting by energy transfer in Eu{sup 3+}/Yb{sup 3+} codoped Ba{sub 4}La{sub 6}(SiO{sub 4}){sub 6}O glass ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, W.J., E-mail: wjzhang03@163.com [School of Material Science and Engineering and Shandong Provincial Key Lab of Preparation and Measurement of Building Materials, University of Jinan, Jinan 250022 (China); State Key Lab of Luminescent Materials and Devices and Institute of Optical Communication Materials, South China University of Technology, Guangzhou 510641 (China); Li, X.B.; Wu, L.J.; Yu, Y.Y.; Wang, X.Z.; Liu, S.Q.; Wang, Z. [School of Material Science and Engineering and Shandong Provincial Key Lab of Preparation and Measurement of Building Materials, University of Jinan, Jinan 250022 (China); Wang, W.C.; Liu, Y. [State Key Lab of Luminescent Materials and Devices and Institute of Optical Communication Materials, South China University of Technology, Guangzhou 510641 (China)

    2017-03-01

    We report on an efficient near-infrared downshifting in Eu{sup 3+}/Yb{sup 3+} codoped glass ceramics containing Ba{sub 4}La{sub 6}(SiO{sub 4}){sub 6}O crystals. The structural and luminescence properties were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), static and dynamic photoemission and excitation spectroscopy. After crystallization, the doping ions are found to be selectively incorporated into the precipitated oxyapatite crystals on La{sup 3+} sites, contributing to the remarkably enhanced visible emission of Eu{sup 3+} under 394 nm excitation. The Eu{sup 3+}/Yb{sup 3+} codoped glass ceramics additionally exhibits efficient near-infrared luminescence of Yb{sup 3+} around 1000 nm upon photon excitation of Eu{sup 3+} within the 300–550 nm range. The reduced visible emission and decay time of {sup 5}D{sub 0} state with Yb{sup 3+} codoping further confirm the energy transfer from Eu{sup 3+} to Yb{sup 3+}, which is promoted due to the shortened distance between Eu{sup 3+} and Yb{sup 3+} within crystals. The maximum energy transfer efficiency is evaluated to be 61%. It is revealed that energy transfer process occurs predominantly through the cross relaxation of Eu{sup 3+}({sup 5}D{sub 0}) + Yb{sup 3+}({sup 2}F{sub 7/2}) → Eu{sup 3+}({sup 7}F{sub 6}) + Yb{sup 3+}({sup 7}F{sub 5/2}).

  4. Comparison of the photoluminescence properties of Eu{sup 2+}, Mn{sup 2+} co-doped M{sub 5}(PO{sub 4}){sub 3}Cl (M = Ca, Sr, Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fengli [National Engineering Research Center for Rare Earth Materials, General Research Institute for Nonferrous Metals, and Grirem Advanced Materials Co., Ltd., Beijing 100088 (China); State Key Laboratory of Rare Earth Materials and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); School of Metallurgy and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou, Jiangxi 341000 (China); An, Wei [School of Physics, Peking University, Beijing 100871 (China); Wei, Heng-Wei [State Key Laboratory of Rare Earth Materials and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Chen, Guantong [National Engineering Research Center for Rare Earth Materials, General Research Institute for Nonferrous Metals, and Grirem Advanced Materials Co., Ltd., Beijing 100088 (China); Zhuang, Weidong, E-mail: wdzhuang@126.com [National Engineering Research Center for Rare Earth Materials, General Research Institute for Nonferrous Metals, and Grirem Advanced Materials Co., Ltd., Beijing 100088 (China); Jing, Xi-Ping, E-mail: xpjing@pku.edu.cn [State Key Laboratory of Rare Earth Materials and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2014-03-25

    Highlights: • Good size match between the doped and host cations narrows the emission band. • Low phonon energy of the hosts enhances the luminescence intensity. • “Inverse bottleneck effect” related to Eu/Mn lifetime mismatch causes quenching. • “Charge transfer process” in the Eu–Mn clusters causes quenching. -- Abstract: Eu{sup 2+} and Mn{sup 2+} singly doped or co-doped M{sub 5}(PO{sub 4}){sub 3}Cl (M = Ca, Sr and Ba) phosphors were synthesized by conventional solid state reactions and characterized by X-ray diffraction (XRD), photoluminescence (PL) spectra, PL decay curves, energy dispersive spectra (EDS) and Raman spectra. The results show that a better size match between the doped cation and the host cation allows a wider solid solution range (e.g. Ca{sup 2+}/Mn{sup 2+}) and a narrower emission band (e.g. Sr{sup 2+}/Eu{sup 2+} and Ca{sup 2+}/Mn{sup 2+}). A lower phonon energy of the host (e.g. the Sr phase) reduces the non-radiation probability and enhances the PL efficiency. The PL performance of the Ba phase is exceptional possibly because of the large size difference between the doped cations and the host cations. The transfer efficiency (η) and the emission quantum efficiency (Q) were analyzed. In the studied phosphors, superficially Eu{sup 2+} efficiently transferred its absorbed energy to Mn{sup 2+} but the Q of the Mn{sup 2+} emission was not as high as expected. Two loss mechanisms are proposed: an “inverse bottleneck effect” and “charge transfer” between Eu{sup 2+} and Mn{sup 2+}.

  5. Warm white light generation from single phase Sr{sub 3}Y(PO{sub 4}){sub 3}:Dy{sup 3+}, Eu{sup 3+} phosphors with near ultraviolet excitation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, B.Y. [School of Physics & Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006 (China); Feng, B.L. [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-sen University, Guangzhou 510275 (China); Luo, L., E-mail: luoli@gdut.edu.cn [School of Physics & Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006 (China); Han, C.L. [School of Physics & Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006 (China); He, Y.T.; Qiu, Z.R. [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-sen University, Guangzhou 510275 (China)

    2016-10-15

    Highlights: • Novel single phase phosphors were synthesized in an ambient air atmosphere. • A direct band gap about 4.5 eV of the host is calculated for the first time. • It is suitable for near UV chip excitation. • It emits warm white light with better CIE and lower CCT over previous reports. • The thermal quenching is similar to that of YAG:0.06Ce{sup 3+} commercial phosphor. - Abstract: Novel Sr{sub 3}Y(PO{sub 4}){sub 3}:Dy{sup 3+}, Eu{sup 3+} (SYP:Dy{sup 3+}, Eu{sup 3+}) phosphors were synthesized by a standard solid-state reaction under an ambient air atmosphere and their structural and optical properties were investigated. XRD and diffuse reflectance spectra (DRS) were used to explore structural properties. The former showed that single phase phosphors were obtained and that the rare earth ions entered into the cubic host by substituting the smaller Y{sup 3+} ions and thereby enlarging the unit cell. The DRS indicated that the host has a direct bandgap of 4.5 eV. Under 393 nm excitation, a strong and stable warm white light emission with high color purity was achieved in SY{sub 0.92}P:0.06Dy{sup 3+}, 0.04Eu{sup 3+}. The energy transfer from Dy{sup 3+} to Eu{sup 3+} ions was investigated and the related mechanism was discussed based on the optical spectra and emission decay curves. The thermal quenching of emission is similar to that of YAG:0.06Ce{sup 3+}. The results show the single phase phosphor is potential in warm white LED.

  6. Low-temperature heat capacity and thermodynamic properties of [Re{sub 2}(Ile){sub 4}(H{sub 2}O){sub 8}](ClO{sub 4}){sub 6} (Re=Nd, Er, Ile=isoleucine)

    Energy Technology Data Exchange (ETDEWEB)

    Lan Xiaozheng; Tan Zhicheng; Liu Beiping; Nan Zhaodong; Sun Lixian; Xu Fen

    2003-06-03

    The heat capacities of two kinds of rare-earth element solid complexes with isoleucine [Re{sub 2}(Ile){sub 4}(H{sub 2}O){sub 8}](ClO{sub 4}){sub 6} (where Re=Nd, Er, and Ile=isoleucine) have been measured by an automatic adiabatic calorimeter in the temperature range from 80 to 370 K. Two solid-solid phase transitions were found from the C{sub p} curve of Nd formed complex in the range of 165-175 K with a peak temperature of 167.88 K and in the range of 195-210 K with a peak temperature of 202.13 K. The corresponding molar enthalpies of these phase transitions were determined to be 404.61 J mol{sup -1} and 2.955 kJ mol{sup -1}, respectively. One solid-solid phase transition was found for the Er formed complex in the range of 190-205 K with a peak temperature of 193.42 K. The corresponding molar enthalpy of this transition was 14.11 kJ mol{sup -1}. Smooth heat capacities and thermodynamic functions relative to the standard state (298.15 K), H{sub T}-H{sub 298.15}, S{sub T}-S{sub 298.15} and -[G{sub T}-G{sub 298.15}], of the two compounds, were calculated on basis of experimental heat capacity data. Possible mechanisms of thermal decompositions for the pair of compounds were suggested according to the thermogravimetric (TG) analysis.

  7. Stress-induced buried waveguides in the 0.8CaSiO{sub 3}–0.2Ca{sub 3}(PO{sub 4}){sub 2} eutectic glass doped with Nd{sup 3+} ions

    Energy Technology Data Exchange (ETDEWEB)

    Sola, D., E-mail: dsola@unizar.es [Centro de Física de Materiales, CSIC-UPV/EHU, P° Manuel de Lardizabal, 5, 20.018 San Sebastián (Spain); Martínez de Mendibil, J. [Departamento de Física de Materiales, C-04, Facultad de Ciencias, Universidad Autónoma de Madrid, 28.049 Madrid (Spain); Vázquez de Aldana, J.R. [Grupo de Óptica, Facultad de Ciencias, Universidad de Salamanca, 37.008 Salamanca (Spain); Lifante, G. [Departamento de Física de Materiales, C-04, Facultad de Ciencias, Universidad Autónoma de Madrid, 28.049 Madrid (Spain); Balda, R. [Centro de Física de Materiales, CSIC-UPV/EHU, P° Manuel de Lardizabal, 5, 20.018 San Sebastián (Spain); Departamento de Física Aplicada I, E.T.S. Ingeniería de Bilbao, UPV/EHU, Alda. de Urquijo s/n, 48.013 Bilbao (Spain); Aza, A.H. de; Pena, P. [Instituto de Cerámica y Vidrio, CSIC, C/Kelsen 5, 28.049 Madrid (Spain); Fernández, J. [Centro de Física de Materiales, CSIC-UPV/EHU, P° Manuel de Lardizabal, 5, 20.018 San Sebastián (Spain); Departamento de Física Aplicada I, E.T.S. Ingeniería de Bilbao, UPV/EHU, Alda. de Urquijo s/n, 48.013 Bilbao (Spain)

    2013-08-01

    In this work the fabrication of buried optical waveguides by femtosecond laser inscription in the 0.8CaSiO{sub 3}–0.2Ca{sub 3}(PO{sub 4}){sub 2} eutectic glass doped with Nd{sup 3+} ions is reported. The glass samples were prepared by melting the eutectic powder mixture in a Pt–10 wt.% Rh crucible at 1600 °C and pouring it in a preheated brass mould. Afterwards, the glass was annealed to release the inner stresses. Buried waveguides were fabricated by focusing beneath the surface a pulsed Ti:sapphire laser with a pulsewidth of 120 fs working at 1 kHz. Two adjacent parallel tracks were written to define a region where an increase in the refractive index occurs. The effects produced by the variation of the laser pulse energy as well as the lateral separation between tracks, scanning speed and focusing distance were studied. After the laser processing, the near-field intensity distribution at 633 nm of the waveguide's modes was studied demonstrating the confinement of both, the TE as the TM polarizations. In order to diminish the losses induced by colour centres absorption, heat treatments were carried out in the samples. The waveguide's modes were compared with respect to the samples without heat treatments. The spectroscopic properties of the neodymium ions have been characterized to evaluate in what extent their optical properties could be modified by the waveguide fabrication process and to elucidate the potential application of such waveguides as integrated laser sources.

  8. Synthesis of Li{sub 1}+xM{sup I}II{sub x}Ti{sub 2}-x(PO{sub 4}){sub 3} with nasicon structure, using sol-gel methods. Study of the relationship microstructure electrical properties; Sintesis mediante quimica sol gel de compuestos Li{sub 1}+xM{sup I}II{sub x}Ti{sub 2}-x(PO{sub 4}){sub 3} con estructura tipo Nasicon. Estudio de la relacion microestructura-propiedades electricas

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Estebanez, M.; Rivera-Calzada, A.; Leon, C.; Santamaria, J.; Isasi-Marin, J.

    2010-07-01

    Compounds of formula Li{sub 1}+xM{sup I}II{sub x}Ti{sub 2}-x(PO{sub 4}){sub 3} with M{sup I}II = Cr, Fe and x = 0 and 0.05 have been prepared at soft temperatures using the Pechini synthesis method, based on sol-gel chemistry. The structural and microstructural characterization by X-ray diffraction and Scanning Electron Microscopy (SEM), shows that all of them crystallize in a NASICON-type structure with similar lattice parameters. Doping with Fe and Cr, causes an increase of the density of the samples after sinterization what clearly improves the ionic conductivity of the original material, LiTi{sub 2}(PO{sub 4}){sub 3} until values of 9x10{sup -}4 S cm{sup -}1 at room temperature in the chromium-doped material. (Author)

  9. Microstructure study of the rare-earth intermetallic compounds R5(SixGe1-x)4sub> and R5(SixGe1-x)3

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Qing [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    The unique combination of magnetic properties and structural transitions exhibited by many members of the R5(SixGe1-x)4sub> family (R = rare earths, 0 ≤ x ≤ 1) presents numerous opportunities for these materials in advanced energy transformation applications. Past research has proven that the crystal structure and magnetic ordering of the R5(SixGe1-x)4sub> compounds can be altered by temperature, magnetic field, pressure and the Si/Ge ratio. Results of this thesis study on the crystal structure of the Er5Si4sub> compound have for the first time shown that the application of mechanical forces (i.e. shear stress introduced during the mechanical grinding) can also result in a structural transition from Gd5Si4sub>-type orthorhombic to Gd5Si2Ge2-type monoclinic. This structural transition is reversible, moving in the opposite direction when the material is subjected to low-temperature annealing at 500 °C.

  10. Changing structural properties of mixed crystals [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 1-x}Co{sub x}Cl{sub 4} (x = 0, 0.5, 0.7, 0.9, and 1) by magic angle spinning nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Ae Ran, E-mail: aeranlim@hanmail.net [Department of Science Education, Jeonju University, Jeonju 560-759 (Korea, Republic of); Department of Carbon Fusion Engineering, Jeonju University, Jeonju 560-759 (Korea, Republic of)

    2016-03-01

    Temperature dependences of the chemical shift and spin-lattice relaxation time in the rotating frame T{sub 1ρ} were measured for {sup 1}H and {sup 13}C nuclei in mixed crystals of the form [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 1-x} Co{sub x}Cl{sub 4} (x = 0, 0.5, 0.7, 0.9, and 1). The mixed crystals varied in color according to the amount of Co{sup 2+} ions, whereas the phase transition temperatures remained nearly unchanged. [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4} and [N(CH{sub 3}){sub 4}]{sub 2}CoCl{sub 4} crystals contain two nonequivalent types of a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4}. The two crystallographically different ions a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4} were distinguished using {sup 13}C CP/MAS NMR spectroscopy. The NMR spectrum and T{sub 1ρ} for {sup 1}H and {sup 13}C in case of x = 0.5 and x = 0.7 were similar to those for [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4}, whereas those for x = 0.9 were absolutely different. Additionally, [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 0.1}Co{sub 0.9}Cl{sub 4} exhibited the structural properties of both [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4} and [N(CH{sub 3}){sub 4}]{sub 2}CoCl{sub 4}. - Highlights: • Chemical shift and spin-lattice relaxation time in rotating frame. • Two crystallographically different ions a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4}. • Structural properties of mixed crystals.

  11. Chemiluminescence of the Ce{sup 3+}* ions, and the {sup 1}ГђЕѕ{sub 2} and ({sup 1}ГђЕѕ{sub 2}){sub 2} molecular species of oxygen induced by active surface of the (NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6} crystals at reduction of Ce{sup 4+} to Ce{sup 3+} by water in heterogeneous system «(NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6}-C{sub 6}H{sub 6}-H{sub 2}O»

    Energy Technology Data Exchange (ETDEWEB)

    Bulgakov, Ramil G., E-mail: profbulgakov@yandex.ru [Laboratory of Negative Ions Mass Spectrometry, Institute of Molecule and Crystal Physics, Ufa Research Centre of the Russian Academy of Sciences, 71, Oktyabrya Prosp., 450054 Ufa (Russian Federation); Gazeeva, Dilara R., E-mail: galimovdi@mail.ru [Laboratory of High Energy Chemistry and Catalysis, Institute of Petrochemistry and Catalysis Russian Academy of Sciences, 141 Prosp. Oktyabrya, 450075 Ufa (Russian Federation); Galimov, Dim I. [Laboratory of High Energy Chemistry and Catalysis, Institute of Petrochemistry and Catalysis Russian Academy of Sciences, 141 Prosp. Oktyabrya, 450075 Ufa (Russian Federation)

    2017-03-15

    We have discovered an unusual new chemiluminescence (CL) in the title system, which is different from other known CL by unusual combination of various in nature emitters, namely, electronically excited state of the Ce{sup 3+}* ion (λ{sub max}=335 nm), singlet oxygen {sup 1}ГђЕѕ{sub 2} (emission near 1270 nm) and its dimer ({sup 1}ГђЕѕ{sub 2}){sub 2} (λ{sub max}=490, 645, 715 nm). The Ce{sup 3+}* ions and oxygen emitters {sup 1}O{sub 2} and ({sup 1}O{sub 2}){sub 2} are generated in the reaction of Ce{sup 4+} with water and hydrogen peroxide, respectively. CL is generated only in a heterogeneous system «(NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6}-C{sub 6}H{sub 6}-H{sub 2}O» and completely absent in a homogeneous solution (NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6} in water containing benzene. This is due to the fact that the redox processes and CL in the «(NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6}-C{sub 6}H{sub 6}-H{sub 2}O» system are induced by active surface of the (NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6} crystals. It is through the action of the active surface of the (NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 6} crystals is carried out population of such a high energy level of 5d{sup 1} excited state of Ce{sup 3+}* ion (λ{sub max}=353 nm, 3.7 eV). Discovered CL is the first example of an experimental registration of the Ce{sup 3+}* ion emission in a chemical reaction, because formation of Ce{sup 3+}* ion previously assumed to be in a great many works on the study of CL in reactions of Ce{sup 4+} compounds with various reducing agents, including the reaction with water, initiated by light or catalysts. Possible mechanism generation of new CL in the system under study has been proposed in the paper. - Highlights: • A new chemiluminescence (CL) in the (NH{sub 4}){sub 2}Ce(NO{sub 3}){sub 2}-C{sub 6}H{sub 6}-H{sub 2}O system was discovered. • The emission of the Ce{sup 3+}* ion as a CL emitter has been registered for the first time. • Other emitters of this CL are

  12. Lead apatites: structural variations among Pb5(BO4sub>)3 Cl with B = P (pyromorphite), As (mimetite) and V (vanadinite)

    Energy Technology Data Exchange (ETDEWEB)

    Antao, Sytle M.; Dhaliwal, Inayat

    2018-01-01

    The crystal structure of four Pb apatite samples, Pb5(BO4sub>)3Cl, was refined with synchrotron high-resolution powder X-ray diffraction data, Rietveld refinements, space groupP63/mandZ= 2. For this isotypic series,B= P5+ is pyromorphite,B= As5+is mimetite andB= V5+is vanadinite. The ionic radius for As5+(0.355 Å) is similar to that of V5+(0.335 Å), and this is twice as large as that for P5+(0.170 Å). However, thecunit-cell parameter for mimetite is surprisingly different from that of vanadinite, although their unit-cell volumes,V, are almost equal to each other. No explanation was available for this peculiarc-axis value for mimetite. Structural parameters such as average $\\langle$B—O$\\rangle$ [4], $\\langle$Pb1—O9$\\rangle$ [9] and $\\langle$Pb2—O6Cl2$\\rangle$ [8] distances increase linearly withV (the coordination numbers for the cations are given in square brackets). Mimetite has a short Pb2—O1 distance, so the O1 oxygen atom interacts with the 6s2lone-pair electrons of the Pb2+ cation that causes the Cl—Cl distance (=c/2) to increase to the largest value in the series because of repulsion, which causes thec-axis to increase anomalously. Although Pb apatite minerals occur naturally in ore deposits, they are also formed as scaly deposits in lead water pipes that give rise to lead in tap water, as was found recently in Flint, Michigan, USA. It is important to identify Pb-containing phases in water-pipe deposits.

  13. Una contribución al estudio de la solubilidad del CuSO4sub>∙5H>2O en medio acuoso

    Directory of Open Access Journals (Sweden)

    de Juan, D.

    1999-02-01

    Full Text Available Pentahydrate copper sulphate (Blue vitriol is a copper salt used in minerallurgy as activator reagent in concentration methods by flotation for sulphide ores. In this work, crystallization conditions of copper sulphate solutions have been determined as a function of both temperature and sulphuric acidity. The results obtained showed that Cu2+ concentration in the solution is mainly a direct function of the logarithm of temperature and the sulfuric acid concentration. The influence of Zn2+ presence in copper sulphate solubility has been also studied at ambient temperature. Results obtained led to a multiple linear regression between Cu2+ concentration in the solution and sulphuric acid and Zn2+ concentrations in the medium. Finally, a comparison between the results obtained and data available in the literature is made.

    El sulfato de cobre pentahidratado (vitriolo azul, vitriolo de Venus, caparrosa azul es una sal de cobre que se suele emplear en mineralurgia como reactivo activador en los métodos de concentración por flotación de los minerales sulfurados. En el presente trabajo se han determinado las condiciones de cristalización de las disoluciones de sulfato de cobre a distintas temperaturas en función de la acidez sulfúrica presente. Se ha encontrado que la concentración de Cu2+ en la disolución, es principalmente función directa del logaritmo de la temperatura y de la concentración de ácido sulfúrico presente. También se ha estudiado la influencia de la presencia del ion Zn2+ en la solubilidad del CuSO4sub>∙5H>2O a temperatura ambiente, hallándose una relación lineal múltiple entre la concentración de Cu2+ y las concentraciones de ácido sulfúrico y Zn2+ en la disolución. Por último, se realiza una comparación de los resultados obtenidos con los datos disponibles en la bibliografía.

  14. Deposition of Li{sub 4}Ti{sub 5}O{sub 12} and LiMn{sub 2}O{sub 4} films on the lithium-ion conductor of Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xian Ming, E-mail: xianmingwu@163.com [College of Chemistry and Chemical Engineering, Jishou University, Jishou Hunan 416000 (China); Xiangxi Minerals and New Materials Research and Service Center, Jishou Hunan 416000 (China); Chen, Shang [College of Chemistry and Chemical Engineering, Jishou University, Jishou Hunan 416000 (China); Xiangxi Minerals and New Materials Research and Service Center, Jishou Hunan 416000 (China); He, Ze Qiang; Chen, Shou Bin; Li, Run Xiu [College of Chemistry and Chemical Engineering, Jishou University, Jishou Hunan 416000 (China)

    2015-08-31

    LiMn{sub 2}O{sub 4} and Li{sub 4}Ti{sub 5}O{sub 12} films were deposited on the lithium-ion conductor of Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet by spray technique. The effect of annealing temperature, annealing time, Li:Ti and Li:Mn molar ratio on the phase and crystallization of the films were investigated with X-ray diffraction. The LiMn{sub 2}O{sub 4}/Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3}/Li{sub 4}Ti{sub 5}O{sub 12} thin-film lithium-ion battery using Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet as both electrolyte and substrate was also studied. The results show that the effect of annealing temperature, annealing time, Li:Ti and Li:Mn molar ratio has great effect on the phase and crystallization of Li{sub 4}Ti{sub 5}O{sub 12} and LiMn{sub 2}O{sub 4} films deposited on the Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet. The optimal Li:Ti and Li:Mn molar ratio for the deposition of Li{sub 4}Ti{sub 5}O{sub 12} and LiMn{sub 2}O{sub 4} films on Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet are 7.2:5 and 1.05:2, respectively. The optimal annealing temperature and time for the deposition of LiMn{sub 2}O{sub 4} film on Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet are 650 °C and 10 min. While those for Li{sub 4}Ti{sub 5}O{sub 12} film are 700 °C and 10 min. The LiMn{sub 2}O{sub 4}/Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3}/Li{sub 4}Ti{sub 5}O{sub 12} thin-film battery offers a working voltage about 2.25 V and can be easily cycled. - Highlights: • LiMn{sub 2}O{sub 4} and Li{sub 4}Ti{sub 5}O{sub 12} films spray deposited on Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet • Film crystal phase depends on the spray solution composition and annealing conditions. • Prepared thin-film lithium-ion battery employs sintered pellet as electrolyte and substrate. • LiMn{sub 2}O{sub 4}/Li{sub 1.3}Al{sub 0.3}Ti{sub 1

  15. Synthesis of ceramic powders of La{sub 9,56} (SiO{sub 4}){sub 6}O{sub 2,34} and La{sub 9,8}Si{sub 5,7}Mg{sub O,3}O{sub 26,}4 by modified sol-gel process; Sintese de pos ceramicos de La{sub 9,56} (SiO{sub 4}){sub 6}O{sub 2,34} e La{sub 9,8}Si{sub 5,7}Mg{sub O,3}O{sub 26,}4 por processo sol-gel modificado

    Energy Technology Data Exchange (ETDEWEB)

    Lira, Sabrina Lopes; Paiva, Mayara Rafaela Soares; Misso, Agatha Matos; Elias, Daniel Ricco; Yamagata, Chieko, E-mail: yamagata@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (CCTM/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Ciencia e Tecnologia de Materiais

    2012-07-01

    Lanthanum silicate oxyapatite materials are promising for application as electrolyte in solid oxide fuel cells because of high ionic conductivity at temperatures between 600 deg C and 800 deg C. In this work, oxyapatites with the composition La{sub 9,56}(SiO{sub 4}){sub 6}O{sub 2,34}, and La{sub 9,8}Si{sub 5,7}Mg{sub 0,3}O{sub 26,4} were synthesized by using the sol-gel method, followed by precipitation. Initially, the gel of silica was synthesized from sodium silicate solution, by acid catalysis using lanthanum and magnesium chloride solution. Then, the La and Mg hydroxides were precipitated with NaOH in the gel. The powders were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and measurements of specific surface area. The crystalline oxyapatite phase of La{sub 9,56}(SiO{sub 4}){sub 6}O{sub 2,34}, and was La{sub 9,8}Si{sub 5,7}Mg{sub 0,3}O{sub 26,4} obtained by calcination at 900 deg C for 2 and 1h respectively (author)

  16. A study of luminescence from Eu{sup 3+}, Ce{sup 3+}, Tb{sup 3+} and Ce{sup 3+}/Tb{sup 3+} in new potassium gadolinium phosphate K{sub 3}Gd{sub 5}(PO{sub 4}){sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Fangui; Zhang, Hongzhi [School of Materials Science and Engineering, Central South University of Forestry and Technology, Changsha 410004 (China); Chen, Cuili; Kim, Sun Il [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Zhang, Xinmin, E-mail: xmzhuga@163.com [School of Materials Science and Engineering, Central South University of Forestry and Technology, Changsha 410004 (China)

    2016-06-25

    New potassium gadolinium phosphate [K{sub 3}Gd{sub 5}(PO{sub 4}){sub 6}] doped with Eu{sup 3+}, Ce{sup 3+}, Tb{sup 3+} and co-doped with Ce{sup 3+} and Tb{sup 3+} phosphors were prepared by high temperature solid state synthesis. Phase purity of the powders was checked by X-ray powder diffraction. Luminescence and excitation spectra of samples were reported. In particular, the interaction mechanism between Eu{sup 3+} ions was investigated in terms of the Inokuti–Hirayama model; it was found that the interactions between Eu{sup 3+} can be assigned to dipole–dipole interaction. K{sub 3}Gd{sub 5}(PO{sub 4}){sub 6}:Eu{sup 3+} could act as a candidate for solid state lighting due to its strong absorption band in the near-UV region (350–400 nm). The energy transfer from Ce{sup 3+} to Tb{sup 3+} was confirmed and the mechanism was studied using Dexter's theory; it is concluded that electric dipole–dipole interaction predominates in the energy transfer process from Ce{sup 3+} to Tb{sup 3+} in the K{sub 3}Gd{sub 5}(PO{sub 4}){sub 6} host. The energy transfer efficiency and critical distance were also investigated. - Highlights: • Optical properties of K{sub 3}Gd{sub 5}(PO{sub 4}){sub 6}:RE{sup 3+} are investigated for the first time. • The interaction mechanism between Eu{sup 3+} ions is attributed to dipole–dipole type. • K{sub 3}Eu{sub 5}(PO{sub 4}){sub 6} is a candidate phosphor for application to solid state lighting. • There exists an efficient energy transfer from Ce{sup 3+} to Tb{sup 3+} (η is up to 95%). • The mechanism of energy transfer process is electric dipole–dipole interaction.

  17. Structural study of (N{sub 2}H{sub 5},H){sub 2.9}U{sub 1.1}Ce{sub 0.9}(C{sub 2}O{sub 4}){sub 5}·10H{sub 2}O from a conventional X-ray diffraction diagram obtained on a powder synthesized by a fast vortex process

    Energy Technology Data Exchange (ETDEWEB)

    Brackx, E., E-mail: Emmanuelle.brackx@cea.fr [CEA, DEN, DTEC, SGCS, LMAC, Marcoule, 30207 Bagnols sur Cèze (France); Laval, J.P. [Centre Européen de la Céramique, SPCTS, UMR-CNRS 7315, Université de Limoges, Faculté des Sciences, 12 rue Atlantis, 87068 Limoges (France); Dugne, O. [CEA, DEN, DTEC, SGCS, LMAC, Marcoule, 30207 Bagnols sur Cèze (France); Feraud, J.P. [CEA, DEN, DTEC, SGCS, LGCI, Marcoule, 30207 Bagnols sur Cèze (France); Arab-Chapelet, B. [CEA, DEN, DRCP, SCPS, LC2A, Marcoule, 30207 Bagnols sur Cèze (France)

    2015-01-15

    In the context of research on U/minor actinides for nuclear fuel reprocessing in the transmutation process, developments are first studied with surrogates containing uranium and lanthanides to facilitate testing. The tests consist of precipitating and calcining a hydrazinium uranium/cerium oxalate. The structure of this oxalate had not been previously determined, but was necessary to validate the physicochemical mechanisms involved. The present study, firstly demonstrates the structural similarity of the U/Ce oxalate phase (N{sub 2}H{sub 5},H){sub 2.9}U{sub 1.1}Ce{sub 0.9}(C{sub 2}O{sub 4}){sub 5}·10H{sub 2}O, synthesized using a vortex precipitator for continuous synthesis of actinide oxalates, with previously known oxalates, crystallizing in P6{sub 3}/mmc symmetry, obtained by more classical methods. This fast precipitation process induces massive nucleation of fine powders. Their structural and microstructural determination confirms that the raw and dried phases belong to the same structural family as (NH{sub 4}){sub 2}U{sub 2}(C{sub 2}O{sub 4}){sub 5}·0.7H{sub 2}O whose structure was described by Chapelet-Arab in P6{sub 3}/mmc symmetry, using single crystal data. However, they present an extended disorder inside the tunnels of the structure, even after drying at 100 °C, between water and hydrazinium ions. This disorder is directly related to the fast vortex method. This structure determination can be used as a basis for further semi-quantitative analysis on the U/minor actinides products formed under various experimental conditions. - Highlights: • Uranium cerium oxalate precipitate characterization by X-ray powder diffraction. • Morphology characterization by SEM analysis. • Structure determination by unit cell Rietveld refinement.

  18. A 3d-4f complex constructed by the assembly of a cationic template, [Cu(en){sub 2}]{sup 2+}, and a 3D anionic coordination polymer, [Sm{sub 2}(C{sub 2}O{sub 4}){sub 3}(C{sub 5}O{sub 5})(H{sub 2}O){sub 2}]{sup 2-}

    Energy Technology Data Exchange (ETDEWEB)

    Ke, Szu-Yu; Yeh, Chang-Tsung; Wang, Chih-Chieh [Department of Chemistry, Soochow University, Taipei, Taiwan (China); Lee, Gene-Hsiang [Instrumentation Center, National Taiwan University, Taipei, Taiwan (China); Sheu, Hwo-Shuenn [National Synchrotron Radiation Research Center, Hsinchu, Taiwan (China)

    2017-05-18

    A three-dimensional (3D) 3d-4f complex, [Cu(en){sub 2}][Sm{sub 2}(C{sub 5}O{sub 5})(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 2}].8H{sub 2}O (1) (en = ethylenediamine, C{sub 5}O{sub 5}{sup 2-} = dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione), were prepared via the in-situ ring-opening oxidation reaction of croconate in the presence of the template-directed complex, [Cu(en){sub 2}]{sup 2+} cation. The structural characterization determined by X-ray diffraction determination reveals that the 3D anionic coordination polymer of [Sm{sub 2}(C{sub 2}O{sub 4}){sub 3}(C{sub 5}O{sub 5})(H{sub 2}O){sub 2}]{sup 2-} in 1 can be describe in terms of in-plane 2D honeycomb-like [Sm{sub 2}(C{sub 2}O{sub 4}){sub 3}] layered frameworks bridged by oxalate with bis-chelating mode, being mutually interlinked via the bridge of μ{sub 1,2,3,4}-croconate ligands with bis-chelating coordination mode to complete the 3D open framework, which gives rise to 1D channels with pore size of 14.023 x 11.893 Aa (longest atom-atom contact distances) along the b axis. The structure-directing complex, [Cu(en){sub 2}]{sup 2+}, and solvated water molecules are resided into these honeycomb-type hexagonal channels. The thermal stability of 1 was further studied by TGA and in-situ powder X-ray diffraction measurement. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. No solid solution compounds in between the binaries. Syntheses and crystal structures of Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and NbI{sub 2}Cl{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; Schleid, Thomas [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2018-04-01

    The anion-mixed niobium tetrahalides Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and NbI{sub 2}Cl{sub 2} were obtained by heating NbBr{sub 5} with NbCl{sub 5} and NbI{sub 5} with NbCl{sub 5}, respectively, in equimolar ratios with niobium metal in evacuated, torch-sealed silica ampoules at 720 K for 3 days. The orthorhombic title compounds form as very brittle black needles and were characterized by single-crystal X-ray diffraction [space group: Immm, Z=4; a=704.27(6), b=824.13(7), c=929.64(8) pm for Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and a=753.76(6), b=829.38(7) and c=983.41(8) pm for NbI{sub 2}Cl{sub 2}]. Surprisingly enough, these mixed-anionic halides are not isostructural with either NbCl{sub 4}, NbBr{sub 4} or NbI{sub 4}, but crystallize isotypically with TaI{sub 2}Cl{sub 2}, thus being examples for differential site occupancy stabilized materials. Structural features of other niobium(IV) halides are compiled and compared to those of Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and NbI{sub 2}Cl{sub 2}. Except for NbF{sub 4}, they all exhibit chains of trans-edge connected [NbX{sub 6}]{sup 2-} octahedra, which allow Peierls distortions to form Nb-Nb single bonds. The packing of these chains differ, however, depending on the actual halide or mixed-halide combination.

  20. Acoustic emission during the ferroelectric transition Pm3{sup ¯}m to P4mm in BaTiO{sub 3} and the ferroelastic transition R3{sup ¯}m-C2/c in Pb{sub 3}(PO{sub 4}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Salje, E. K. H. [Department of Earth Sciences, University of Cambridge, Cambridge CB2 3EQ (United Kingdom); Dul' kin, E.; Roth, M. [Department of Applied Physics, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel)

    2015-04-13

    Acoustic emission (AE) spectroscopy without frequency filtering (∼broadband AE) and moderate time integration is shown to be sensitive enough to allow the investigation of subtle nano-structural changes in ferroelectric BaTiO{sub 3} and ferroelastic Pb{sub 3}(PO{sub 4}){sub 2}. AE signals during weak phase transitions are compatible with avalanche statistics as observed previously in large-strain systems. While the data are too sparse to determine avalanche exponents, they are well suited to determine other thermodynamic parameters such as transition temperatures and critical stresses.

  1. Temperature effect on uranium retention onto Zr{sub 2}O(PO{sub 4}){sub 2} surface; Effet de la temperature sur les mecanismes d'interaction entre l'ion uranyle et l'oxophosphate de zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Almazan Torres, M.G

    2007-03-15

    Uranium sorption onto Zr{sub 2}O(PO{sub 4}){sub 2} has been studied between 298 K and 363 K, in 0.1 M NaClO{sub 4} medium. Potentiometric titrations were realized to determine temperature dependency of the acid-base properties (pH(pcn), acidity constants). Classical batch experiments were performed at different temperatures. The sorption experiments revealed that the uranium sorption onto Zr{sub 2}O(PO{sub 4}){sub 2} is favoured with the temperature. Structural characterization of the surface complexes was performed by both Time-Resolved Laser-Induced Fluorescence (TRLIF) and EXAFS spectroscopy. The TRLIF measurements vs. temperature revealed two uranyl surface complexes. No influence of the temperature onto the nature surface complex was observed. The EXAFS analysis showed a splitting of the equatorial oxygen atoms in two shells, corresponding to uranyl bidentate, inner-sphere complexes. The obtained structural uranyl surface complex information was used to simulate (using a constant capacitance model) the sorption edges. The proposed complexes equilibrium model consists of the following surface complexes: (ZrOH){sub 2}UO{sub 2}{sup 2+} and (PO){sub 2}UO{sub 2}. Besides the stability constants for the surface complexes, the thermodynamic parameters {delta}H{sup 0} and {delta}S{sup 0} were determined using the van't Hoff equation. The enthalpy values associated to the U(VI) retention onto Zr{sub 2}O(PO{sub 4}){sub 2}, determined by the temperature dependence of the stability constants, testify that the formation of the complex (PO){sub 2}UO{sub 2} (55 kJ/mol) is endothermic, while no influence of the temperature was observed for the formation of the complex (ZrOH){sub 2}UO{sub 2}{sup 2+}. The adsorption reaction of the last complex is then driven by entropy. In addition, calorimetric measurements of uranium sorption onto Zr{sub 2}O(PO{sub 4}){sub 2} were carried out to directly quantify the enthalpy associated to the retention processes. (author)

  2. Electronic structure study of wide band gap magnetic semiconductor (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} nanocrystals in paramagnetic and ferromagnetic phases

    Energy Technology Data Exchange (ETDEWEB)

    Dwivedi, G. D.; Chou, H.; Yang, K. S.; Jhong, D. J.; Chan, W. L. [Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China); Joshi, Amish G. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Road, New Delhi 110012 (India); Kumar, Shiv; Ghosh, A. K. [Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Chatterjee, Sandip, E-mail: schatterji.app@iitbhu.ac.in [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2016-04-25

    X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} near Fermi-level. XMCD results indicate that Mn{sup 3+} and Mn{sup 4+} spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below T{sub C}. The valence band UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.

  3. Crystallographic orientations and electrical properties of Bi sub 3 sub . sub 4 sub 7 La sub 0. sub 8 sub 5 Ti sub 3 O sub 1 sub 2 thin films on Pt/Ti/SiO sub 2 /Si and Pt/SiO sub 2 /Si substrates

    CERN Document Server

    Ryu, S O; Lee, W J

    2003-01-01

    We report on the crystallization and electrical properties of Bi sub 3 sub . sub 4 sub 7 La sub 0 sub . sub 8 sub 5 Ti sub 3 O sub 1 sub 2 (BLT) thin films for possible ferroelectric non-volatile memory applications. The film properties were found to be strongly dependent on process conditions especially on the intermediate heat treatment conditions. The crystallographic orientation of the films showed sharp changes at the intermediate rapid thermal annealing (RTA) temperature of 450degC. Below 450degC, BLT thin films have (117) orientation while they have preffered c-axis orientation above 450degC. We found that RTA conditions of the first coating layer play a major role in determining the entire crystallographic orientation of the films. The films also showed of ferroelectric hysterisis behavior strongly dependent on RTA treatment. In fact, the remanent polarization of Bi sub 3 sub . sub 4 sub 6 sub 5 La sub 0 sub . sub 8 sub 5 Ti sub 3 O sub 1 sub 2 thin films having (001) preferred crystallographic orient...

  4. In Situ Foaming of Porous (La 0.6 Sr 0.4sub> ) 0.98 (Co 0.2 Fe 0.8 ) O 3-δ (LSCF) Cathodes for Solid Oxide Fuel Cell Applications

    Energy Technology Data Exchange (ETDEWEB)

    Gandavarapu, Sodith [US DOE-National Energy Technology Laboratory, 3610 Collins Ferry Road P.O.Box.880 Morgantown West Virginia 26507; Department of Mechanical and Aerospace Engineering, West Virginia University, Morgantown West Virginia 26506; Sabolsky, Edward [US DOE-National Energy Technology Laboratory, 3610 Collins Ferry Road P.O.Box.880 Morgantown West Virginia 26507; Department of Mechanical and Aerospace Engineering, West Virginia University, Morgantown West Virginia 26506; Sabolsky, Katarzyna [Department of Mechanical and Aerospace Engineering, West Virginia University, Morgantown West Virginia 26506; Gerdes, Kirk [US DOE-National Energy Technology Laboratory, 3610 Collins Ferry Road P.O.Box.880 Morgantown West Virginia 26507

    2013-07-18

    A binder system containing polyurethane precursors was used to in situ foam (direct foam) a (La{sub 0.6}Sr{sub 0.4}){sub 0.98} (Co{sub 0.2} Fe{sub 0.8}) O{sub 3-{ delta}} (LSCF) composition for solid oxide fuel cell (SOFC) cathode applications. The relation between in situ foaming parameters on the final microstructure and electrochemical properties was characterized by microscopy and electrochemical impedance spectroscopy (EIS), respectively. The optimal porous cathode architecture was formed with a 70 vol% solids loading within a polymer precursor composition with a volume ratio of 8:4:1 (isocyanate: PEG: surfactant) in a terpineol-based ink vehicle. The resultant microstructure displayed a broad pore size distribution with highly elongated pore structure.

  5. Stabilization of MgCr2O4sub> spinel in slags of the
    SiO2-CaO-MgO-Cr2O3 system

    Directory of Open Access Journals (Sweden)

    Arredondo-Torres, V.

    2006-12-01

    Full Text Available El objetivo de este estudio es analizar el efecto del contenido de MgO y la basicidad de la escoria sobre la estabilidad de las especies mineralógicas del sistema de escoria SiO2-CaOMgO-
    Cr2O3. Se realizaron ensayos al equilibrio a 1600 °C bajo condiciones reductoras (pO2=10-9atm. El contenido de MgO fue de 0 a 12 % masa, el Cr2O3 de 10% y la basicidad de 1 y 1,5. También se realizó un análisis termodinámico para determinar las fases mineralógicas más estables en la escoria. Los resultados experimentales y calculados muestran que el Cr2O3 se encuentra principalmente ligado en una fase espinela MgCr2O4sub>, incluso a bajos contenidos de MgO. Los resultados obtenidos por microscopia electrónica de barrido (MEB-EDS, muestran la evidencia de tres estructuras cristalinas: (A Octaedros, los cuales
    corresponden a la espinela MgCr2O4sub>, (B Cristales alargados que corresponden a la formación de silicatos cálcicos y (C Matriz de silicatos cálcicos con impurezas de Mg y Cr que no cristalizaron por completo.

    El objetivo de este estudio es analizar el efecto del contenido de MgO y la basicidad de la escoria sobre la estabilidad de las especies mineralógicas del sistema de escoria SiO2-CaOMgO-Cr2O3. Se realizaron ensayos al equilibrio a 1600 °C bajo condiciones reductoras (pO2=10-9atm. El contenido de MgO fue de 0 a 12 % masa, el Cr2O3 de 10% y la basicidad de 1 y 1,5. También se realizó un análisis termodinámico para determinar las fases mineralógicas más estables en la escoria. Los resultados experimentales y calculados muestran que el Cr2O3 se encuentra principalmente ligado en una fase espinela MgCr2O4sub>, incluso a bajos contenidos de MgO. Los resultados obtenidos por

  6. Deviation from the trans -Effect in Ligand-Exchange Reactions of Zeise’s Ions PtCl3(C2H4sub>)- with Heavier Halides (Br, I- )

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Gao-Lei [Physical; Govind, Niranjan [Environmental; Xantheas, Sotiris S. [Advanced; Department; Wang, Xue-Bin [Physical

    2018-01-16

    Four new Zeise’s family ions with mixed-halide ligands, i.e., PtClnX3-n(C2H4sub>)- (X = Br, I; n = 1, 2), were synthesized via ligand-exchange reactions of KX salts with KPtCl3(C2H4sub>) in aqueous solutions, and were detected in vacuum via electrospray ionization mass spectrometry. Their photoelectron spectra reveal a series of well-resolved spectral peaks with their electron binding energies (EBEs) decreasing with increasing halide size, with I having a much stronger effect than Br, i.e., 4.57 (–Cl3) > 4.56 (–Cl2Br) > 4.53 (–ClBr2) > 4.34 (–Cl2I) > 4.30 eV (–ClI2). Ab initio electronic structure calculations including spin-orbit coupling (SOC) predict that the cis- and trans-isomers are nearly isoenergetic with the cis-isomer for –Cl2X, and the trans-isomer for –ClX2 slightly favored, respectively. Excited-state spectra calculated with time-dependent density functional theory (TDDFT), and their comparison with the observed ones, suggest that for each species, both the cis- and trans-configurations coexist in the experiments and contribute to the observed spectra, a fact that clearly violates the prediction of the widely accepted trans-effect, which suggests that only one isomer would have formed.

  7. Photoluminescence and phosphorescence properties of Sr{sub 1-x}Zn{sub 2-y}(PO{sub 4}){sub 2}:Eu{sub x}{sup 2+},Mn{sub y}{sup 2+} phosphor for UV-based white-LEDs

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Junho; Jayasimhadri, M. [Research Institute of Basic Science, Changwon National University, Changwon 641-773 (Korea, Republic of); Sueb Lee, Ho [Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Jang, Kiwan, E-mail: kwjang@changwon.ac.k [Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Soo Yi, Soung [Department of Photonics, Silla University, Pusan 617-736 (Korea, Republic of); Hyun Jeong, Jung [Department of Physics, Pukyong National University, Pusan 608-737 (Korea, Republic of); Kim, Changdae [Department of Physics, Mokpo National University, Mokpo 534-729 (Korea, Republic of)

    2009-07-01

    Sr{sub 1-x}Zn{sub 2-y}(PO{sub 4}){sub 2}:Eu{sub x}{sup 2+},Mn{sub y}{sup 2+} (SZP: Eu{sub x}{sup 2+},Mn{sub y}{sup 2+}) phosphors (x=0, 0.01 and y=0, 0.01) were prepared by using a stoichiometric solid-state reaction method and their photoluminescence and phosphorescence decay properties were investigated. The emission spectrum of SrZn{sub 2}(PO{sub 4}){sub 2}:Eu{sub 0.01}{sup 2+}, Mn{sub 0.01}{sup 2+} measured under 400 nm excitation was composed of the violettish blue and the emerald green emissioins centered at 421 and 547 nm, respectively. The excitation wavelength of the emission peak at 547 nm was about 421 nm in the excitation spectrum of SZP:Mn{sub 0.01}{sup 2+}. Since, this value is equal to the transition energy of Eu{sup 2+}, the energy transfer from Eu{sup 2+} to Mn{sup 2+} in SZP:Eu{sub 0.01}{sup 2+},Mn{sub 0.01}{sup 2+} phosphor has been demonstrated. The CIE chromaticity coordinates of SZP:Eu{sub 0.01}{sup 2+},Mn{sub 0.01}{sup 2+} phosphor were (0.330, 0.328) under the excitation wavelength 375 nm at room temperature. The phosphorescence from SZP:Eu{sub 0.01}{sup 2+},Mn{sub 0.01}{sup 2+} could be seen by naked eyes for few seconds and it has persisted for about 4.4 h while monitoring by using a PMT spectrometer. Therefore, SZP:Eu{sub x}{sup 2+},Mn{sub y}{sup 2+}phosphor may be a potential candidate for the UV-based white light-emitting diodes (LEDs).

  8. Reversible Exsolution of Nanometric Fe2O3 Particles in BaFe2-x(PO4sub>)2 (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 BaFe2(PO4sub>)2 into iron-deficient BaFe2–x(PO4sub>)2 phases and nanometric α-Fe2O3 (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 (VFe) that denote unprecedented easy in-plane metal diffusion driven by the Fe2+/Fe3+ redox. Besides the discovery of a diversity of original depleted triangular {Fe2/3+2–xO6} topologies, we propose a unified model correlating the x Fe-removal and the experimental Fe/VFe 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+).

  9. New Sr{sub 1−x−z}R{sub x}(NH{sub 4}){sub z}F{sub 2+x−z} (R = Yb, Er) solid solution as precursor for high efficiency up-conversion luminophor and optical ceramics on the base of strontium fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Rozhnova, Yu. A. [N.E. Bauman Moscow State Technical University, Moscow (Russian Federation); A.M. Prokhorov General Physics Institute, RAS, Moscow (Russian Federation); Kuznetsov, S.V. [A.M. Prokhorov General Physics Institute, RAS, Moscow (Russian Federation); Luginina, A.A. [All-Russian Institute for Scientific and Technical Information (VINITI), Moscow (Russian Federation); Voronov, V.V.; Ryabova, A.V.; Pominova, D.V.; Ermakov, R.P. [A.M. Prokhorov General Physics Institute, RAS, Moscow (Russian Federation); Usachev, V.A.; Kononenko, N.E. [N.E. Bauman Moscow State Technical University, Moscow (Russian Federation); Baranchikov, A.E.; Ivanov, V.K. [N.S. Kurnakov Institute of General and Inorganic Chemistry, RAS, Moscow (Russian Federation); Fedorov, P.P., E-mail: ppfedorov@yandex.ru [A.M. Prokhorov General Physics Institute, RAS, Moscow (Russian Federation)

    2016-04-01

    In this paper, we describe the use of self-fluorinating conditions for the thermal treatment of Sr{sub 1−x−y−z}Yb{sub x}Er{sub y}(NH{sub 4}){sub z}F{sub 2+x+y−z} precursor for the preparation of high-efficiency SrF{sub 2}:Yb:Er up-converter powders. We report actual SrF{sub 2}:Yb:Er compositions with up-conversion efficiencies exceeding 4% (pumping power 1 W/cm{sup 2} at 974 nm wavelength) and describe the synthesis of ceramics with higher than 80% transmittance at 0.42–7.0 μm. The latter ceramics can be used as a potential IR radiation visualizer. For the first time, we present an analysis of correlation between up-conversion luminescence energy yield and specimen composition for SrF{sub 2}:Yb:Er nanopowders. Taking into account the observed erbium ion up-conversion luminescence in the red part of the visible spectrum, we recommend certain SrF{sub 2}:Yb:Er compositions for practical application in photodynamic cancer therapy. - Highlights: • SrF{sub 2}:Yb/Er luminophor nanopowders were precipitated from aqueous solutions. • Precipitation of Sr{sub 1−x−y−z}Yb{sub x}Er{sub y}(NH{sub 4}){sub z}F{sub 2+x+y−z} solid solution has been proved. • Up-conversion luminescence energy yield luminophors of more than 4% were obtained. • Optical ceramics with 80% transmittance in 0.42–7.0 μm range was synthesized.

  10. Numerical simulation of lambda phi sup(4) sub(4)

    International Nuclear Information System (INIS)

    Amaral, M.G. do; Carvalho, C.A.A. de; Shellard, R.C.

    1984-01-01

    The behaviour of a lattice theory where spontaneous symmetry breaking occurs is studied. The effective potential is calculated and discussed and the phase diagram of an Euclidean lambda phi 4 4 theory using Monte Carlo methods on a hypercubic lattice with 4 4 sites and periodic boundary conditions is obtained. The vacuum expectation value sub(j) is examined in the presence of an external source j(x), keeping the parameter β=1/lambda fixed. The limit of sub(j) as j→O is called phi sub(c). It is found that for values of β larger than β critical, phi sub(c) not = 0, while for values of β smaller than β critical phi sub(c) = 0. It is observed that the lambda phi 4 4 field theory exhibits two phases, a disordered phase in which the vacuum expectation value of the field vanishes, and an ordered phase characterized by spontaneous magnetization. The value of β critical is estimated through the behaviour of the specific heat and susceptibility as function of β. (Author) [pt

  11. New insights into the structure, chemistry, and properties of Cu.sub.4./sub.SnS.sub.4./sub.

    Czech Academy of Sciences Publication Activity Database

    Choudhury, A.; Mohapatra, S.; Asl, H.Y.; Lee, S.H.; Hor, Y.S.; Medvedeva, J.E.; McClane, D.L.; Hilmas, G.E.; McGuire, M.A.; May, A.H.; Wang, H.; Dash, S.; Welton, A.; Boolchand, P.; Devlin, K.P.; Aitken, J.; Herbst-Irmer, R.; Petříček, Václav

    2017-01-01

    Roč. 253, Sep (2017), s. 192-201 ISSN 0022-4596 Institutional support: RVO:68378271 Keywords : Cu 4 SnS 4 * phase transition * crystal structure * electronic properties * thermoelectrics * band structure * 119-Sn Mössbauer Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.299, year: 2016

  12. Solvothermal syntheses, crystal structures, and properties of lanthanide(III) thioarsenates [Ln(dien){sub 2}(μ-1κ,2κ{sup 2}-AsS{sub 4})]{sub n} (Ln==Sm, Eu, Gd) and [Ln(dien){sub 2}(1κ{sup 2}-AsS{sub 4})] (Ln==Tb, Dy, Ho)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Fang; Tang, Chunying; Chen, Ruihong; Zhang, Yong; Jia, Dingxian, E-mail: jiadingxian@suda.edu.cn

    2013-10-15

    Solvothermal reactions of Ln{sub 2}O{sub 3}, As and S in diethylenetriamine (dien) at 170 °C for 6 days afforded two structural types of lanthanide thioarsenates with the general formulae [Ln(dien){sub 2}(μ-1κ,2κ{sup 2}-AsS{sub 4})]{sub n} [Ln=Sm(1), Eu(2), Gd(3)] and [Ln(dien){sub 2}(1κ{sup 2}-AsS{sub 4})] [Ln=Tb(4), Dy(5), Ho(6)]. The Ln{sub 2}O{sub 3} oxides were converted to [Ln(dien){sub 2}]{sup 3+} complex units in the solvothermal reactions. The As atom binds four S atoms, forming a tetrahedral AsS{sub 4} unit. In 1−3, the AsS{sub 4} units interconnect the [Ln(dien){sub 2}]{sup 3+} cations via Ln−S bonds as tridentate μ-1κ,2κ{sup 2}-AsS{sub 4} bridging ligands, resulting in the neutral coordination polymers [Ln(dien){sub 2}(μ-1κ,2κ{sup 2}-AsS{sub 4})]{sub n} (Ln1). In 4−6, the AsS{sub 4} units coordinate with the Ln{sup 3+} ion of [Ln(dien){sub 2}]{sup 3+} as 1κ{sup 2}-AsS{sub 4} chelating ligands to form neutral coordination compounds [Ln(dien){sub 2}(1κ{sup 2}-AsS{sub 4})] (Ln2). The Ln{sup 3+} ions are in nine- and eight-coordinated environments in Ln1 and Ln2, respectively. The formation of Ln1 and Ln2 is related with ionic size of the Ln{sup 3+} ions. Optical absorption spectra showed that 1−6 have potential use as semiconductors with the band gaps in the range 2.18−3.21 eV. - Graphical abstract: Two types of Ln-thioarsenates [Ln(dien){sub 2}(μ-1κ,2κ{sup 2}-AsS{sub 4})]{sub n} and [Ln(dien){sub 2}(1κ{sup 2}-AsS{sub 4})] were prepared by solvothermal methods and the soft Lewis basic AsS{sub 4}{sup 3–} ligand to Ln(III) centers with polyamine co-ligand was obtained. Display Omitted - Highlights: • Lanthanide thioarsenates were prepared by solvothermal methods. • The soft Lewis basic AsS{sub 4} ligand coordinate Ln{sup 3+} ions with coexistence polyamine ligands. • Two structural types of Ln-thioarsenates with structural turnover at Tb were obtained along Ln series. • The Ln-thioarsenates are potential semiconductors

  13. Phase composition and superconducting properties of (Pb sub 0 sub . sub 6 Sn sub y Cu sub 0 sub . sub 4 sub - sub y)Sr sub 2 (Y sub 1 sub - sub x Ca sub x)Cu sub 2 O sub z

    CERN Document Server

    Balchev, N; Kunev, B; Souleva, A; Tsacheva, T

    2001-01-01

    The effect of Sn-doping in (Pb sub 0 sub . sub 6 Sn sub y Cu sub 0 sub . sub 4 sub - sub y)Sr sub 2 (Y sub 1 sub - sub x Ca sub x)Cu sub 2 O sub z for 0 <= y <= 0.3 and 0 <= x <= 0.7 was investigated. It was established that a nearly pure 1212 phase could be obtained at 0 <= y <= 0.1 and 0 <= x <= 0.3. The obtained X-ray diffraction (XRD) patterns as well as the results of the inductively coupled plasma atomic emission spectrometry (ICP-AES) and energy-dispersive X-ray (EDX) analysis showed that the Sn-substitution was possible in the (Pb,Cu)-1212 phase. Superconductivity was observed at 0.4 <= x <= 0.7. The onset of the diamagnetic transitions varied from 10 to 30 K. The influence of the strong Pb deficiency on the superconducting properties of the samples was discussed. (authors)

  14. Effect of doping of trivalent cations Ga{sup 3+}, Sc{sup 3+}, Y{sup 3+} in Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7} (PO{sub 4}){sub 3} (LATP) system on Li{sup +} ion conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Kothari, Dharmesh H.; Kanchan, D.K., E-mail: dkkanchan.ssi@gmail.com

    2016-11-15

    We report the effect of trivalent cations dopants in the Li{sub 1.3}Al{sub 0.3−x}R{sub x}Ti{sub 1.7}(PO{sub 4}){sub 3} (R=Ga{sup 3+}, Sc{sup 3+}, Y{sup 3+}) NASICON ceramic system in the concentration range x=0.01,0.03,0.05,0.07, on the Li{sup +} ion conducting properties using impedance spectroscopy. The samples were prepared by solid state reaction method and characterized by X-Ray Diffraction and density measurements. The electrical properties were studied using impedance spectroscopy in frequency range 10 Hz to 20 MHz and temperature range 303 K to 423 K. Although the porosity of the material decreased with doping, the overall Li{sup +} ion conductivity of the system did not improve with doping. Ionic radii of the dopant cations was found to be an important factor in formation of impurity phases and low Li{sup +} ion conductivity. Gallium doped samples exhibited a higher Li{sup +} ion conductivity compared to its scandium and yttrium doped counterparts.

  15. Effect of subcritical CO{sub 2} on ionic conductivity of (Al[O(CH{sub 2}CH{sub 2}O){sub 8.7}]{sub r}/(LiClO{sub 4}){sub z}){sub n} hybrid inorganic-organic networks

    Energy Technology Data Exchange (ETDEWEB)

    Vezzu, Keti; Bertucco, Alberto [Universita di Padova, Padova (Italy). Dipartimento di Principi e Impianti di Ingegneria Chimica ' I. Sorgato' ; Zago, Vanni; Vittadello, Michele; Noto, Vito Di [Universita di Padova, Padova (Italy). Dipartimento di Scienze Chimiche

    2006-01-20

    The aim of this work is to study the effect of CO{sub 2} under pressure on hybrid inorganic-organic polymer electrolytes, by using broad band dielectric spectroscopy (BDS) in the frequency interval 40Hz-10MHz and in the temperature range of -80 to 120{sup o}C. Eleven inorganic-organic hybrid materials of the ORMOCERs type, with general formula (Al[O(CH{sub 2}CH{sub 2}O){sub 8.7}]{sub r}/(LiClO{sub 4}){sub z}){sub n} were treated by applying CO{sub 2} at 293K and 5MPa. The results demonstrated that the CO{sub 2} treatment generally depressed the conductivity of about one order of magnitude. The decreased conductivity in treated complexes is explained in terms of a smaller anion-trapping ability of the Al centers. Residual CO{sub 2} molecules are likely to inhibit the interaction of the perchlorate anions with Al centers within the structure. Segmental motion of the polymer chains plays a crucial role in the conductivity of investigated samples, while the ion-hopping phenomenon is the most important charge transfer mechanism both in the pristine and CO{sub 2} treated materials. Equivalent conductivity studies have elucidated the different ionic species present at various salt concentrations and gave insight about the role of CO{sub 2} in modifying the transport properties of the samples. (author)

  16. Modeling 4f–4f intensity parameters as a function of structural distortions in Ln(2,2′-bipyridine-1,1′-dioxide){sub 4}(ClO{sub 4}){sub 3} complexes (Ln=Pr{sup 3+}, Nd{sup 3+})

    Energy Technology Data Exchange (ETDEWEB)

    Carneiro, A.N. [Departamento de Química Fundamental, Universidade Federal de Pernambuco-CCEN, Cidade Universitária, Recife-PE 50670-901 (Brazil); Huskowska, E.; Gawryszewska, P. [Faculty of Chemistry, Wroclaw University, 14 F. Joliot-Curie Street, Wroclaw (Poland); Legendziewicz, J., E-mail: janina.legendziewicz@chem.uni.wroc.pl [Faculty of Chemistry, Wroclaw University, 14 F. Joliot-Curie Street, Wroclaw (Poland); Malta, O.L. [Departamento de Química Fundamental, Universidade Federal de Pernambuco-CCEN, Cidade Universitária, Recife-PE 50670-901 (Brazil)

    2016-01-15

    This work reports on the influence of structural distortions on 4f–4f intensity parameters. These distortions in the first coordination sphere were applied to two complexes with similar structures, Ln(bpyO{sub 2}){sub 4}(ClO{sub 4}){sub 3} (Ln=Pr{sup 3+}, Nd{sup 3+} ions and bpyO{sub 2}=2,2′-bipyridine-1,1′-dioxide). The 4f–4f intensity theory and the PM3/Sparkle model were used. It is concluded that larger distortions are predicted in the case of the Pr complex, and that this point might contribute to the rationalization of the much higher values of the Ω{sub λ} intensity parameters in the Pr complex than in the Nd one. - Highlights: • The influence of structural distortions on 4f–4f intensity parameters was demonstrated for Nd and Pr complexes with 2,2′-bipyridine-1,1′-dioxide.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-10-15

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

  18. Deformación plástica en compresión de Si3N4sub> policristalino: consideraciones sobre los modelos de solución-reprecipitación y de formación de cavidades

    Directory of Open Access Journals (Sweden)

    Martínez-Fernández, J.

    2001-04-01

    Full Text Available Compressive creep of silicon nitride has been studied in several commercial and experimental grades of creep-resistant Si3N4sub>. The temperature range was 1400-1500°C, and inert atmosphere was used to avoid long-term degradation of the samples. The creep rates at a given temperature showed more than one order of magnitude of grade to grade variability. Microstructural analysis showed the presence of cavities after deformation. When analyzed by a classic power-law equation the creep parameters n= 1 for all the grades, while Q varied from 444 to 951 kJ/mol. The activity of diffusional mechanisms is discussed. Alternatively, the results have been analyzed by means of the Luecke-Wiederhorn cavitation model.

    La fluencia del nitruro de silicio se ha estudiado en varios materiales comerciales y experimentales. El rango de temperaturas ha sido 1.400-1.500 °C y, para evitar la degradación de las muestras, se usó atmósfera inerte. Los resultados de la fluencia para una temperatura dada mostraron una variación de más de un orden de la magnitud entre las distintas muestras. El análisis microestructural mostró la presencia de cavidades después de la deformación. El exponente de tensión, usando la ecuación clásica de fluencia, fue 1 para todos los tipos, mientras que la energía de activación varió entre 444 y 951 kJ/mol. Se discute la actividad de los mecanismos difusionales. Alternativamente, los resultados se han analizado por medio del modelo de cavitación de Luecke-Wiederhorn.

  19. An unprecedented process of peroxide ion formation and its localization in the crystal structure of strontium peroxy-hydroxyapatite Sr{sub 10}(PO{sub 4}){sub 6}(O{sub 2}){sub x}(OH){sub 2-2x}

    Energy Technology Data Exchange (ETDEWEB)

    Kazin, Pavel E. [Department of Chemistry, Moscow State University (Russian Federation); Zykin, Mikhail A. [Department of Materials Science, Moscow State University (Russian Federation); Dinnebier, Robert E.; Magdysyuk, Oxana V.; Jansen, Martin [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Tretyakov, Yury D. [Department of Chemistry, Moscow State University (Russian Federation); Department of Materials Science, Moscow State University (Russian Federation)

    2012-05-15

    Formation of strontium peroxy-hydroxyapatite solid solution Sr{sub 10}(PO{sub 4}){sub 6}(O{sub 2}){sub x}(OH){sub 2-2x} was studied on annealing the hydroxyapatite in the temperature range 900-1350 C in oxygen, air, and argon atmosphere. The redox process was found to display unprecedented features: (i) the peroxide content increased with raising temperature, (ii) the peroxide content remained substantial even at a low oxygen pressure of 1.013 Pa, (iii) the peroxide content was extremely persistent, and even at a temperature of 1350 C in oxygen atmosphere the peroxide groups substituted more than two-third of the original hydroxide groups. Chemical processes consistent with these features are suggested. In the UV/Vis spectrum, an absorption peak at 300 nm was recorded, which was attributed to an electronic transition in the peroxide ion, since its intensity depended linearly on the peroxide content. In the Raman spectra, a weak band at 765-770 cm{sup -1} was ascribed to symmetric stretching vibrations of O{sub 2}{sup 2-}. The structures of the compounds were refined from powder X-ray diffraction data using the Rietveld method supported by a maximum entropy method (MEM) electron density calculation. The peroxide ions are localized in the center of the hexagonal channel. At high concentration they tend to order with the associated vacancies along the channels. As a consequence, the width of the channel sections varies, the PO{sub 4} tetrahedra tilt, and the remote strontium atoms are displaced leading to changes in their coordination. Generally, the peroxide for hydroxide substitution manifests itself in the reduction of the overall channel diameter (and its volume), while the volume occupied by out-of-channel ions remains the same. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Structure elucidation of 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C23H18Cl2N4sub>OS from synchrotron X-ray powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betül

    2017-12-01

    The 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C23H18Cl2N4sub>OS compound was synthesized, as a member of the family of novel potential anticancer agents. The structure of the title compound was characterized by IR,1H-NMR, mass spectroscopy, and elemental analysis, previously. In this study, the crystal structure of this compound has been determined from synchrotron X-ray powder diffraction data. The crystal structure was solved by simulated annealing and the final structure was achieved by Rietveld refinement method using soft restrains on all interatomic bond lengths and angles. This compound crystallizes in space groupP21,Z= 2, with the unit-cell parametersa= 15.55645(11) Å,b= 8.61693(6) Å,c= 8.56702(6) Å,β= 104.3270(4)°, andV= 1112.68(1) Å3. In the crystal structure, strong C-H∙∙∙πand weak intermolecular hydrogen-bonding interactions link the molecules into a three-dimensional network. The molecules are in a head-to-head arrangement in the unit cell.

  1. Ultra-flexible framework breathing in response to dehydration in liskeardite, [(Al,Fe){sub 16}(AsO{sub 4}){sub 9}(OH){sub 21}(H{sub 2}O){sub 11}]·26H{sub 2}O, a natural open-framework compound

    Energy Technology Data Exchange (ETDEWEB)

    Grey, Ian. E., E-mail: Ian.Grey@csiro.au [CSIRO Mineral Resources, Private Bag 10, Clayton South, VIC 3169 (Australia); Brand, Helen E.A. [Australian Synchrotron, 800 Blackburn Road, Clayton, VIC 3168 (Australia); Rumsey, Michael S. [Department of Earth Sciences, Natural History Museum, Cromwell Road, London SW7 5BD (United Kingdom); Gozukara, Yesim [CSIRO Manufacturing, Private Bag 10, Clayton South, VIC 3169 (Australia)

    2015-08-15

    Dehydration of the natural open-framework compound, liskeardite, [(Al,Fe){sub 16}(AsO{sub 4}){sub 9}(OH){sub 21}(H{sub 2}O){sub 11}]·26H{sub 2}O, is accompanied by a change in the sign of the thermal expansion from positive to negative above room temperature, and at ~100 °C the structure undergoes a dramatic 2D contraction by co-operative rotation of heteropolyhedral columns that constitute the framework walls. Monoclinic liskeardite, I112 with a≈b≈24.7 Å, c ≈7.8 Å and β≈90° is transformed to a tetragonal phase, I-4 with a≈20.6 Å, c ≈7.7 Å. The associated 30% decrease in volume is unprecedented in inorganic microporous compounds. The flexibility of the contraction is related to the double-hinged nature of the column rotations about [001]. Octahedra in adjacent columns are interconnected by corner-sharing with the two pairs of anions forming opposing edges of AsO{sub 4} tetrahedra, so a double-hinged rotation mechanism operates. Thermal analysis and mass spectroscopic results for liskeardite show that the phase transition at ~100 °C is related to removal of the channel water. The tetragonal phase shows exceptionally large NTE behaviour. Over the temperature range 148–178 the NTE along a and b is close to linear with a magnitude of the order of −900×10{sup −6} °C{sup −1}. The contraction along the channel direction is smaller but still appreciable at −200×10{sup −6} °C{sup −1}. - Graphical abstract: Structure of the collapsed liskeardite framework, formed on dehydration above 100 °C. - Highlights: • The thermal expansion of the mineral liskeardite changes + to − above ambient. • Dehydration at 100 °C results in a record reversible 30% volume reduction. • In situ synchrotron XRD has led to a structural model for the dehydrated phase. • Framework breathing flexibility is attributed to a double-hinge rotation mechanism. • The dehydrated phase shows unprecedented -ve expansion for inorganic materials.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-11-15

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

  3. Tellurium sulfates from reactions in oleum and sulfur trioxide: syntheses and crystal structures of TeO(SO{sub 4}), Te{sub 4}O{sub 3}(SO{sub 4}){sub 5}, and Te(S{sub 2}O{sub 7}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Logemann, Christian; Bruns, Joern; Schindler, Lisa Verena; Zimmermann, Vanessa; Wickleder, Mathias S. [Carl von Ossietzky University of Oldenburg, Institute of Chemistry (Germany)

    2015-04-15

    The reaction of K{sub 2}TeO{sub 4} with fuming sulfuric acid (65 % SO{sub 3}) in sealed glass ampoules at 250 C led to colorless single crystals of TeO(SO{sub 4}) [triclinic, P anti 1, Z = 8, a = 819.89(3) pm, b = 836.95(4) pm, c = 1179.12(5) pm, α = 82.820(2) , β = 70.645(2) , γ = 81.897(2) , V = 753.11(6) x 10{sup 6} pm{sup 3}]. A horseshoe type [Te{sub 4}O{sub 3}] fragment is the basic motif in the layer structure of the compound. The [Te{sub 4}O{sub 3}] moieties are linked to infinite chains by further oxide ions. Monomeric [Te{sub 4}O{sub 3}] horseshoes are found in the crystal structure of Te{sub 4}O{sub 3}(SO{sub 4}){sub 5} [trigonal, P3{sub 2}21, Z = 3, a = 859.05(2) pm, c = 2230.66(7) pm, V = 1425.61(6) x 10{sup 6} pm{sup 3}], which was obtained from TeO{sub 2} and fuming sulfuric acid (65 % SO{sub 3}) at 200 C as colorless single crystals. By switching to neat SO{sub 3} as reaction medium colorless crystals of Te(S{sub 2}O{sub 7}){sub 2} [P2{sub 1}/n, Z = 4, a = 1065.25(3) pm, b = 818.50(2) pm, c = 1206.27(3) pm, β = 102.097(1) , V = 1028.40(5) x 10{sup 6} pm{sup 3}] form when ortho-telluric acid, H{sub 6}TeO{sub 6}, is used as the tellurium source. The compound was reported previously, however, obviously with a wrong crystallographic description. In the crystal structure the tellurium atoms are coordinated by two chelating disulfate ions. Further Te-O contacts link the [Te(S{sub 2}O{sub 7}){sub 2}] units to an extended network. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Structural and Magnetothermal Properties of Compounds: Yb5SixGe4-x,Sm5SixGe4-x, EuO, and Eu3O4sub>

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Kyunghan [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    The family of R5SixGe4-x alloys demonstrates a variety of unique physical phenomena related to magneto-structural transitions associated with reversible breaking and reforming of specific bonds that can be controlled by numerous external parameters such as chemical composition, magnetic field, temperature, and pressure. Therefore, R5SixGe4-x systems have been extensively studied to uncover the mechanism of the extraordinary magneto-responsive properties including the giant magnetoresistance (GMR) and colossal magnetostriction, as well as giant magnetocaloric effect (GMCE). Until now, more than a half of possible R5SixGe4-x pseudobinary systems have been completely or partially investigated with respect to their crystallography and phase relationships (R = La, Pr, Nd, Gd, Tb, Dy, Er, Lu, Y). Still, there are other R5SixGe4-x systems (R = Ce, Sm, Ho, Tm, and Yb) that are not studied yet. Here, we report on phase relationships and structural, magnetic, and thermodynamic properties in the Yb5SixGe4-xand Sm5SixGe4-x pseudobinary systems, which may exhibit mixed valence states. The crystallography, phase relationships, and physical properties of Yb5SixGe4-x alloys with 0 ≤ x ≤ 4 have been examined by using single crystal and powder x-ray diffraction at room temperature, and dc magnetization and heat capacity measurements between 1.8 K and 400 K in magnetic fields ranging from 0 to 7 T. Unlike the majority of R5SixGe4-x systems studied to date, where R is the rare earth metal, all Yb-based germanide-silicides with the 5:4 stoichiometry crystallize in the same Gd5Si4sub>-type structure. The magnetic properties of Yb5SixGe4-x materials are nearly composition

  5. Linking rhizospheric CH4sub> oxidation and net CH4sub> emissions in an arctic wetland based on 13CH4sub> labeling of mesocosms

    DEFF Research Database (Denmark)

    Nielsen, Cecilie Skov; Michelsen, Anders; Ambus, Per

    2017-01-01

    Aims: Poorly drained arctic ecosystems are potential large emitters of methane (CH4) due to their high soil organic carbon content and low oxygen availability. In wetlands, aerenchymatous plants transport CH4 from the soil to the atmosphere, but concurrently transport O2 to the rhizosphere, which...... may lead to oxidation of CH4. The importance of the latter process is largely unknown for arctic plant species and ecosystems. Here, we aim to quantify the subsurface oxidation of CH4 in a waterlogged arctic ecosystem dominated by Carex aquatilis ssp. stans and Eriophorum angustifolium, and evaluate...... during three weeks after addition of 13C-enriched CH4 below the mesocosm. Results: Most of the recovered 13C label (>98 %) escaped the ecosystem as CH4, while less than 2 % was oxidized to 13CO2. Conclusions: It is concluded that aerenchymatous plants control the overall CH4 emissions but, as a transport...

  6. Reaction of Tris(cyclopentadienyl)uranium compounds with amines, azides, and related ligands

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, R.K.

    1989-12-01

    The trivalent uranium compound, (MeC{sub 5}H{sub 4}){sub 3}U(thf), serves as a one- or two-electron reducing agent towards azides, RN{sub 3}. These reactions produce either the uranium(IV) azide, (MeC{sub 5}H{sub 4}){sub 3}UN{sub 3}, or uranium(V) imides, (MeC{sub 5}H{sub 4}){sub 3}UNR. The role of steric and electronic effects upon this reaction has been investigated using several series of azides. For Me{sub 3}XN{sub 3}, the imides are produced when X = C or Si, both products are formed when X = Ge, and the azide is produced when X = Sn. For Ph{sub 3}XN{sub 3}, the azide is produced when X = C or Sn. For Ph{sub 3-x}CH{sub 3}N{sub 3}, the imide is produced when x = 2 and both compounds are produced when x = 1. For substituted phenylazides, RC{sub 6}H{sub 4}N{sub 3}, only the imides are produced. The magnetic properties of uranium diimides, ((MeC{sub 5}H{sub 4}){sub 3}U){sub 2}({mu}-NRN), were investigated. Several uranium(III) amines, (MeC{sub 5}H{sub 4}){sub 3}U(NH{sub 2}R), were produced from (MeC{sub 5}H{sub 4}){sub 3}U(thf) and RNH{sub 2}, and NH{sub 3} was found to be a better ligand towards (MeC{sub 5}H{sub 4}){sub 3}U than is PMe{sub 3}.

  7. CsH2PO4sub>/NdPO4sub> Composites as Proton Conducting Electrolytes for Intermediate Temperature Fuel Cells

    DEFF Research Database (Denmark)

    Anfimova, Tatiana; Jensen, Annemette Hindhede; Christensen, Erik

    2015-01-01

    hydrogen bonding network enabling efficient proton conduction long before the development of the extensive phase disordering of the superprotonic transition. The presence of thermally stable hydrate water present in neodymium phosphate may also play a role in improving both conductivity and stability...

  8. Thin films of ErNbO.sub.4./sub. and YbNbO.sub.4./sub. prepared by sol–gel

    Czech Academy of Sciences Publication Activity Database

    Jakeš, V.; Rubešová, K.; Hlásek, T.; Polák, V.; Oswald, Jiří; Nádherný, L.

    2016-01-01

    Roč. 78, č. 3 (2016), s. 600-605 ISSN 0928-0707 Institutional support: RVO:68378271 Keywords : rare earth niobate * lithium niobate * doping * metal alkoxide * spin coating Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.575, year: 2016

  9. Correlations between substrate availability, dissolved CH4sub>, and CH4sub> emissions in an arctic wetland subject to warming and plant removal

    DEFF Research Database (Denmark)

    Nielsen, Cecilie Skov; Michelsen, Anders; Strobel, Bjarne W.

    2017-01-01

    The Arctic is warming which may potentially affect substrate availability, organic matter decomposition, plant growth, and plant species composition. This may lead to changes in the exchange of methane (CH4) and carbon dioxide (CO2) between the soil system and the atmosphere. Yet the correlations...

  10. Structural and electronic response of U.sub.3./sub.Fe.sub.4./sub.Ge.sub.4./sub. to high pressure

    Czech Academy of Sciences Publication Activity Database

    Henriques, Margarida Isabel Sousa; Gorbunov, Denis; Andreev, Alexander V.; Prchal, J.; Raison, P.; Heathman, S.; Arnold, Zdeněk; Griveau, J.C.; Colineau, E.; Havela, L.; Gonçalves, A.P.

    2015-01-01

    Roč. 117, č. 11 (2015), "113901-1"-"113901-8" ISSN 0021-8979 R&D Projects: GA ČR GAP204/12/0150 Institutional support: RVO:68378271 Keywords : uranium intermetallics * ferromagnetism * antiferromagnetism * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.101, year: 2015

  11. Improvement of the growth of Li.sub.4./sub.SiO.sub.4./sub. single crystals for neutron detection and their scintillation and luminescence properties

    Czech Academy of Sciences Publication Activity Database

    Pejchal, Jan; Babin, Vladimir; Beitlerová, Alena; Kurosawa, S.; Yokota, Y.; Yoshikawa, A.; Nikl, Martin

    2017-01-01

    Roč. 457, Jan (2017), s. 143-150 ISSN 0022-0248 R&D Projects: GA ČR GJ15-18300Y; GA MŠk(CZ) LH14266 Institutional support: RVO:68378271 Keywords : luminescence * transition metal ion doping * micro-pulling-down method * lithium silicate * scintillator materials Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.751, year: 2016

  12. The crystal structure of sopcheite, Ag.sub.4./sub.Pd.sub.3./sub.Te.sub.4./sub., from the Lukkulaisvaara intrusion, Karelia, Russia

    Czech Academy of Sciences Publication Activity Database

    Laufek, F.; Vymazalová, A.; Grokhovskaya, T.L.; Plášil, Jakub; Dušek, Michal; Orsoev, D.A.; Kozlov, V.V.

    2017-01-01

    Roč. 29, Jun (2017), s. 603-612 ISSN 0935-1221 Institutional support: RVO:68378271 Keywords : sopcheite * crystal structure * Ag4Pd3Te4 * platinum-group mineral * silver palladium telluride * X-ray diffraction data * Lukkulaisvaara intrusion Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 1.362, year: 2016

  13. Field-induced reentrant magnetoelectric phase in LiNiPO4sub>

    DEFF Research Database (Denmark)

    Toft-Petersen, Rasmus; Fogh, Ellen; Kihara, Takumi

    2017-01-01

    Using pulsed magnetic fields up to 30 T we have measured the bulk magnetization and electrical polarization of LiNiPO4 and have studied its magnetic structure by time-of-flight neutron Laue diffraction. Our data establish the existence of a reentrant magnetoelectric phase between 19 T and 21 T. W...

  14. Thermodynamics of formation of coffinite, USiO 4sub>

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Xiaofeng; Szenknect, Stéphanie; Mesbah, Adel; Labs, Sabrina; Clavier, Nicolas; Poinssot, Christophe; Ushakov, Sergey V.; Curtius, Hildegard; Bosbach, Dirk; Ewing, Rodney C.; Burns, Peter C.; Dacheux, Nicolas; Navrotsky, Alexandra

    2015-05-11

    Coffinite, USiO4, is an important U(IV) mineral, but its thermodynamic properties are not well-constrained. In this work, two different coffinite samples were synthesized under hydrothermal conditions and purified from a mixture of products. The enthalpy of formation was obtained by high-temperature oxide melt solution calorimetry. Coffinite is energetically metastable with respect to a mixture of UO2 (uraninite) and SiO2 (quartz) by 25.6 ± 3.9 kJ/mol. Its standard enthalpy of formation from the elements at 25 °C is -1,970.0 ± 4.2 kJ/mol. Decomposition of the two samples was characterized by X-ray diffraction and by thermogravimetry and differential scanning calorimetry coupled with mass spectrometric analysis of evolved gases. Coffinite slowly decomposes to U3O8 and SiO2 starting around 450 °C in air and thus has poor thermal stability in the ambient environment. The energetic metastability explains why coffinite cannot be synthesized directly from uraninite and quartz but can be made by low-temperature precipitation in aqueous and hydrothermal environments. These thermochemical constraints are in accord with observations of the occurrence of coffinite in nature and are relevant to spent nuclear fuel corrosion.

  15. The strength of frustration and quantum fluctuations in LiVCuO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Nishimoto, S.; Drechsler, S.L.; Kuzian, R.; Richter, J.; Málek, Jiří; Schmitt, M.; van den Brink, J.; Rösner, H.

    2012-01-01

    Roč. 98, č. 3 (2012), "37007-p1"-"37007-p6" ISSN 0295-5075 Institutional research plan: CEZ:AV0Z10100520 Keywords : cuprate superconductors * neutron inelastic scattering * spin waves Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.260, year: 2012

  16. Structural stability of complex hydrides LiBH4sub> revisited

    DEFF Research Database (Denmark)

    Lodziana, Zbigniew; Vegge, Tejs

    2004-01-01

    A systematic approach to study the phase stability of LiBH4 based on ab initio calculations is presented. Three thermodynamically stable phases are identified and a new phase of Cc symmetry is proposed for the first time for a complex hydride. The x-ray diffraction pattern and vibrational spectra...

  17. Tetranuclear Complexes {(ć.sub.4./sub.-TCNX([Cu(Me.sub.3./sub.TACN)].sub.4./sub.}(BF.sub.4./sub.).sub.4./sub. with TCNX=TCNE, TCNQ or TCNB (1,2,4,5-tetracyanobenzene) and Me.sub.3./sub.TACN=1,4,7-trimethyl-1,4,7-triazacyclononane

    Czech Academy of Sciences Publication Activity Database

    Berger, S.; Hartmann, H.; Wanner, M.; Fiedler, Jan; Kaim, W.

    2001-01-01

    Roč. 314, - (2001), s. 22-26 ISSN 0020-1693 R&D Projects: GA MŠk OC D15.10 Institutional research plan: CEZ:AV0Z4040901 Keywords : copper compounds * infrared spectra * TCNQ complexes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.394, year: 2001

  18. Enthalpy of Formation of N 2 H 4sub> (Hydrazine) Revisited

    Energy Technology Data Exchange (ETDEWEB)

    Feller, David [Department; Bross, David H. [Chemical; Ruscic, Branko [Chemical; Computation

    2017-08-02

    In order to address the accuracy of the long-standing experimental enthalpy of formation of gas-phase hydrazine, fully confirmed in earlier versions of Active Thermochemical Tables (ATcT), the provenance of that value is re-examined in light of new high-end calculations of the Feller-Peterson-Dixon (FPD) variety. An overly optimistic determination of the vaporization enthalpy of hydrazine, which created an unrealistically strong connection between the gas phase thermochemistry and the calorimetric results defining the thermochemistry of liquid hydrazine was identified as the probable culprit. The new enthalpy of formation of gas-phase hydrazine, based on balancing all available knowledge, was determined to be 111.57 ± 0.47 kJ/mol at 0 K (97.41 kJ/mol at 298.15 K). Close agreement was found between the ATcT (even excluding the latest theoretical result) and FPD enthalpies.

  19. Fluoride substitution in LiBH4sub>; destabilization and decomposition

    DEFF Research Database (Denmark)

    Richter, Bo; Ravnsbaek, Dorthe B.; Sharma, Manish

    2017-01-01

    Fluoride substitution in LiBH4 is studied by investigation of LiBH4-LiBF4 mixtures (9:1 and 3:1). Decomposition was followed by in situ synchrotron radiation X-ray diffraction (in situ SR-PXD), thermogravimetric analysis and differential scanning calorimetry with gas analysis (TGA/DSC-MS) and in ......Fluoride substitution in LiBH4 is studied by investigation of LiBH4-LiBF4 mixtures (9:1 and 3:1). Decomposition was followed by in situ synchrotron radiation X-ray diffraction (in situ SR-PXD), thermogravimetric analysis and differential scanning calorimetry with gas analysis (TGA...

  20. Magnetocaloric effect of Er.sub.5./sub.Si.sub.4./sub. under hydrostatic pressure

    Czech Academy of Sciences Publication Activity Database

    Arnold, Zdeněk; Magen, C.; Morellon, L.; Algarabel, P.A.; Kamarád, Jiří; Ibarra, M. R.; Pecharsky, V. K.; Gschneidner, Jr., K. A.

    2009-01-01

    Roč. 79, č. 14 (2009), 144430/1-144430/6 ISSN 1098-0121 R&D Projects: GA ČR GA202/09/0030 Institutional research plan: CEZ:AV0Z10100521 Keywords : Curie temperature * entropy * erbium compounds * ferromagnetic materials * high-pressure solid-state phase transformations * magnetisation * magnetocaloric Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.475, year: 2009

  1. Magnetic phase diagram of magnetoelectric LiMnPO4sub>

    DEFF Research Database (Denmark)

    Toft-Petersen, Rasmus; Andersen, Niels Hessel; Li, Haifeng

    2012-01-01

    to the a axis to be nearly along the c axis at magnetic fields between 4 and 4.7 T, depending on temperature. The low-field antiferromagnetic phase boundary is shown to join the spin-flop line tangentially at the so-called bicritical point, where there is a suppression of the ordering temperature....... At the bicritical field, we observe an increased intensity of the Lorentz broadened elastic scattering at magnetic Bragg peaks above TN as compared to zero field and 10 T, without an increase in peak width. This suggests an increased density of fluctuations at the bicritical field as compared to zero field....

  2. Muscarinic receptor M4 sub>positive allosteric modulators attenuate central effects of cocaine

    DEFF Research Database (Denmark)

    Dall, Camilla; Weikop, Pia; Dencker, Ditte

    2017-01-01

    BACKGROUND: Cocaine addiction is a chronic brain disease affecting neurotransmission. Muscarinic cholinergic receptors modulate dopaminergic signaling in the reward system, and muscarinic receptor stimulation can block direct reinforcing effects of cocaine. Here, we tested the hypothesis...... that specific muscarinic M4receptor stimulation can attenuate the discriminative stimulus effects and conditioned rewarding effects of cocaine, measures believed to predict the ability of cocaine and cocaine-associated cues to elicit relapse to drug taking. METHODS: We tested the M4-selective positive...

  3. Neutron-scattering studies of a polymer electrolyte, PPO-LiClO4sub>

    DEFF Research Database (Denmark)

    Carlsson, P.; Mattsson, B.; Swenson, J.

    1998-01-01

    changes which are induced by the dopant salt. The phenomena can be explained by local ordering of the chain segments around the solvated cations and by contraction of neighbouring chains via cationic cross links. The QENS results indicate that the segmental motions of the polymer chains, which have been...

  4. Raman study of AlPO.sub.4./sub. (berlinite) at the ŕ-á transition

    Czech Academy of Sciences Publication Activity Database

    Gregora, Ivan; Magneron, N.; Simon, P.; Luspin, Y.; Raimboux, N.; Philippot, E.

    2003-01-01

    Roč. 15, - (2003), s. 4487-4501 ISSN 0953-8984 Institutional research plan: CEZ:AV0Z1010914 Keywords : berlinite * ŕ-á transition * Raman scattering Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.757, year: 2003

  5. Upconversion detector for range-resolved DIAL measurement of atmospheric CH4sub>

    DEFF Research Database (Denmark)

    Meng, Lichun; Fix, Andreas; Wirth, Martin

    2018-01-01

    backscatter signal at 1646 nm in a 25-mm long periodically poled lithium niobate crystal. The upconverted signal at 646 nm is detected by a photomultiplier tube (PMT). The UCD with a noise equivalent power around 127 fW/Hz1/2 outperforms a conventional InGaAs based avalanche photodetector when both are used...

  6. Laser profiling of defects in BaWO.sub.4./sub. crystals

    Czech Academy of Sciences Publication Activity Database

    Remeš, Zdeněk; Boháček, Pavel; Nikl, Martin

    2012-01-01

    Roč. 23, č. 8 (2012), 1-4 ISSN 0957-0233 R&D Projects: GA MŠk LH12236; GA MŠk LH12186 Institutional research plan: CEZ:AV0Z10100521 Keywords : barium tungstate * laser scattering * defects * Czochralski method Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.435, year: 2012

  7. Magnetic sublattice interactions in UFe4sub>Al8

    DEFF Research Database (Denmark)

    Paixao, J.A.; Lebech, B.; Goncalves, A.P.

    1997-01-01

    in a magnetic field with polarized neutrons establish that the ferromagnetic U moment is 0.47(2)mu(B) per U atom. In a magnetic field applied in the [010] direction (basal plane) the Fe sublattice antiferromagnetism is aligned perpendicular to the field in the basal plane, i.e., in the direction [100......; for example at 4.6 T this canting is 25 degrees. Polarized-neutron experiments in the paramagnetic state show that the Fe susceptibility is almost isotropic; however, the response of the U 5f electrons is much smaller along the c axis, so that it is the hybridization between the Fe 3d and U 5f electrons......Previous neutron experiments on polycrystalline samples of UFe4Al8 have led to a series of conflicting proposals, including a spin-glass state, for the magnetic structure below the ordering temperature of similar to 150 K. Our experiments on a stoichiometric single crystal show that the principal...

  8. Degradation Studies on LiFePO4sub> cathode

    DEFF Research Database (Denmark)

    Scipioni, Roberto; Jørgensen, Peter Stanley; Hjelm, Johan

    2015-01-01

    In this paper we examine a laboratory LiFePO4 (LFP) cathode and propose a simple model that predicts the electrode capacity as function of C-rate, number of cycles and calendar time. Microcracks were found in Li1-xFePO4 particles in a degraded LFP electrode and low-acceleration voltage (1 kV) FIB....../SEM analysis allowed us to obtain phase contrast between FePO4 and LiFePO4. The evolution of micro-cracks is expected to increase the concentration of LFP particles which are not electronically accessible and thus cause a loss in capacity....

  9. Anomalous magnetic structure and spin dynamics in magnetoelectric LiFePO4sub>

    DEFF Research Database (Denmark)

    Toft-Petersen, Rasmus; Reehuis, Manfred; Jensen, Thomas Bagger Stibius

    2015-01-01

    We report significant details of the magnetic structure and spin dynamics of LiFePO4 obtained by single-crystal neutron scattering. Our results confirm a previously reported collinear rotation of the spins away from the principal b axis, and they determine that the rotation is toward the a axis...

  10. Degradation Studies on LiFePO4sub> cathode

    DEFF Research Database (Denmark)

    Scipioni, Roberto; Jørgensen, Peter Stanley; Hjelm, Johan

    2014-01-01

    Lithium-ion batteries are a promising technology for automotive application, but limited performance and lifetime is still a big issue. The aim of this work is to study and address degradation processes which affect LiFePO4 (LFP) cathodes - one of the most common cathodes in commercial Li...

  11. Hydrostatic compression of galenobismutite (PbBi2S4sub>)

    DEFF Research Database (Denmark)

    Olsen, Lars Arnskov; Balic Zunic, Tonci; Makovicky, Emil

    2007-01-01

    in galenobismutite have stereochemically active lone electron pairs, which distort the cation polyhedra at room pressure. The cation eccentricities decrease at higher pressure but are still pronounced at 9 GPa. Galenobismutite is isotypic with CaFe2O4 (CF) but moves away from the idealised CF-type structure during...

  12. Sulfur induced Cu4sub> tetramers on Cu(111)

    DEFF Research Database (Denmark)

    Foss, M.; Feidenhans'l, R.; Nielsen, M.

    1997-01-01

    The structures of the Cu(111) and the Cu(111)(root 7 x root 7)R19.1 degrees-S reconstructions have been studied by surface X-ray diffraction and two new structural models are proposed. Although the unit cells for the two structures are quite different, a high degree of similarity has been reveale...

  13. The crystal structures of jaguéite, Cu2Pd3Se4sub>, and chrisstanleyite, Ag2Pd3Se4sub>

    DEFF Research Database (Denmark)

    Topa, Dan; Makovicky, Emil; Balic Zunic, Tonci

    2006-01-01

    equipped with a CCD area-detector. The crystal structure of chrisstanleyite, ideally Ag2Pd3Se4, monoclinic a 5.676(2), b 10.342(4), c 6.341(2) Å, ß 114.996(4)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 8.3% for 1203 unique refl ections measured with MoK X......The crystal structure of jaguéite, ideally Cu2Pd3Se4, monoclinic, a 5.672(5), b 9.909(9), c 6.264(6) Å, ß 115.40(2)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 5.52% for 956 unique refl ections measured with MoK X-radiation on a P-4 Bruker diffractometer......(Ag)-Pd2 system of metal-metal bonds, help to stabilize the open-work structure composed of PdSe4 squares....

  14. Crystal structure of Fe.sub.2./sub.(AsO.sub.4./sub.)(HAsO.sub.4./sub.)(OH)(H.sub.2./sub.O).sub.3./sub., a dehydration product of kaňkite

    Czech Academy of Sciences Publication Activity Database

    Majzlan, J.; Palatinus, Lukáš; Plášil, Jakub

    2016-01-01

    Roč. 28, č. 1 (2016), s. 63-70 ISSN 0935-1221 Institutional support: RVO:68378271 Keywords : arsenate minerals * crystal structure * kaňkite * precession electron diffraction Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.362, year: 2016

  15. Ab initio studies on the interplay between spin-orbit interaction and Coulomb correlation in Sr.sub.2./sub.IrO.sub.4./sub. and Ba.sub.2./sub.IrO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Arita, R.; Kuneš, Jan; Kozhevnikov, A.V.; Eguiluz, A.G.; Imada, M.

    2012-01-01

    Roč. 108, č. 8 (2012), "086403-1"-"086403-5" ISSN 0031-9007 R&D Projects: GA ČR GAP204/10/0284 Institutional research plan: CEZ:AV0Z10100521 Keywords : spin-orbit coupling * electronic correlations * dynamical mean-field theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.943, year: 2012 http://link.aps.org/doi/10.1103/PhysRevLett.108.086403

  16. Neutron-scattering study of the magnetic structure of DyFe4sub>Al8 and HoFe4sub>Al8

    DEFF Research Database (Denmark)

    Paixao, J.A.; Silva, M.R.; Sørensen, S.Aa.

    2000-01-01

    The magnetic structures of DyFe4Al8 and HoFe4Al8, which have been reported to be unusual spin-glass systems, were studied in detail by neutron diffraction, using both unpolarized and polarized beams. In fact these compounds have long-range magnetic order in both the Fe and rare-earth sublattices....

  17. First-order magnetization process as a tool of magnetic-anisotropy determination: application to the uranium-based intermetallic U.sub.3./sub.3Cu.sub.4./sub.Ge.sub.4./sub.

    Czech Academy of Sciences Publication Activity Database

    Gorbunov, Denis; Henriques, Margarida Isabel Sousa; Andreev, Alexander V.; Skourski, Y.; Richter, M.; Havela, L.; Wosnitza, J.

    2016-01-01

    Roč. 93, č. 6 (2016), 1-7, č. článku 064417. ISSN 1098-0121 R&D Projects: GA ČR GA16-03593S; GA ČR(CZ) GA14-03276S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : uranium intermetallics * single crystals * ferromagnetism * magnetic anisotropy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  18. Magnetic study of pseudo-ternary compound Y.sub.0.6./sub.Th.sub.0.4./sub.Co.sub.4./sub.B under pressure,

    Czech Academy of Sciences Publication Activity Database

    Mayot, H.; Isnard, O.; Arnold, Zdeněk; Kamarád, Jiří

    2006-01-01

    Roč. 26, č. 4 (2006), s. 489-493 ISSN 0895-7959 Institutional research plan: CEZ:AV0Z10100521 Keywords : intermetallic compounds * magnetic properties * borides * pressure effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.228, year: 2006

  19. Acid-base chemistry and proton conductivity of CsHSO4sub>, CsH2PO4sub> and their mixtures with N-heterocycles  

    DEFF Research Database (Denmark)

    Aili, David; Gao, Ying; Han, Junyoung

    2017-01-01

    temperature range of CsH2PO4 as well. Binary mixtures of CsH2PO4 with 1,2,4-triazole, benzimidazole or imidazole were prepared by means of mechanochemical synthesis. Mixtures based on CsHSO4 were prepared as a basis for a comparative discussion. It was found that CsHSO4 formed organic-inorganic salts, while...

  20. Bat urea-derived minerals in arid environment. First identification of allantoin, C.sub.4./sub.H.sub.6./sub.N.sub.4./sub.O.sub.3./sub., in Kahf Kharrat Najem Cave, United Arab Emirates

    Czech Academy of Sciences Publication Activity Database

    Audra, P.; Bosák, Pavel; Gázquez, F.; Cailhol, D.; Skála, Roman; Lisá, Lenka; Jonášová, Šárka; Frumkin, A.; Knez, M.; Slabe, T.; Zupan Hajna, N.; Al-Farraj, A.

    2017-01-01

    Roč. 46, č. 1 (2017), s. 81-92 ISSN 0392-6672 Institutional support: RVO:67985831 Keywords : cave minerals * allantoin * bat guano * bat urea * Kahf Kharrat Najem Cave * United Arab Emirates Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 1.439, year: 2016

  1. Běhounekite, U(SO.sub.4./sub.).sub.2./sub.(H.sub.2./sub.O).sub.4./sub., from Jachymov (St Joachimsthal), Czech Republic: the first natural U.sup.4+./sup. sulphate

    Czech Academy of Sciences Publication Activity Database

    Plášil, J.; Fejfarová, Karla; Novák, M.; Dušek, Michal; Škoda, R.; Hloušek, J.; Čejka, J.; Majzlan, J.; Sejkora, J.; Machovič, Vladimír; Talla, D.

    2011-01-01

    Roč. 75, č. 6 (2011), s. 2739-2753 ISSN 0026-461X R&D Projects: GA ČR(CZ) GAP204/11/0809 Institutional research plan: CEZ:AV0Z10100521; CEZ:AV0Z30460519 Keywords : uranium minerals * X-ray diffraction * crystal structure * Jana2006 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.321, year: 2011

  2. Comprehensive analysis of TEM methods for LiFePO4sub>/FePO4sub> phase mapping: spectroscopic techniques (EFTEM, STEM-EELS) and STEM diffraction techniques (ACOM-TEM)

    DEFF Research Database (Denmark)

    Mu, X.; Kobler, A.; Wang, D.

    2016-01-01

    Transmission electron microscopy (TEM) has been used intensively in investigating battery materials, e.g. to obtain phase maps of partially (dis)charged (lithium) iron phosphate (LFP/FP), which is one of the most promising cathode material for next generation lithium ion (Li-ion) batteries. Due t...

  3. Giant reversible piezoresistance at room temperature in Sr.sub.2./sub.IrO.sub.4./sub. thin films

    Czech Academy of Sciences Publication Activity Database

    Domingo, N.; Lopez-Mir, L.; Paradinas, M.; Holy, V.; Železný, Jakub; Yi, D.; Suresha, S.; Liu, J.; Serrao, C.R.; Ramesh, R.; Ocal, C.; Martí, Xavier; Catalan, G.

    2015-01-01

    Roč. 7, č. 8 (2015), s. 3453-3459 ISSN 2040-3364 R&D Projects: GA ČR GB14-37427G EU Projects: European Commission(XE) 268066 - 0MSPIN Institutional support: RVO:68378271 Keywords : piezoelectrics * oxide semiconductors Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.760, year: 2015

  4. Quantum helimagnetism of the frustrated spin-1/2 chain LiCuVO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Enderle, M.; Mukherjee, C.; Fak, B.; Kremer, R. K.; Broto, J.-M.; Rosner, H.; Drechsler, S.-L.; Richter, J.; Málek, Jiří; Prokofiev, A.; Assmus, W.; Pujol, S.; Raggazzoni, J.-L.; Rakato, H.; Rheinstädter, M.; Ronnow, H.M.

    2005-01-01

    Roč. 70, č. 2 (2005), s. 237-243 ISSN 0295-5075 Institutional research plan: CEZ:AV0Z10100520 Keywords : inelastic neutron scattering * magnetic quantum helix Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.237, year: 2005

  5. Structural relaxation of scintillating Ce doped NaGd(PO.sub.3./sub.).sub.4./sub. glass

    Czech Academy of Sciences Publication Activity Database

    Chromčíková, M.; Rodová, Miroslava; Nitsch, Karel; Liška, M.

    2010-01-01

    Roč. 102, č. 3 (2010), 961-964 ISSN 1388-6150 R&D Projects: GA AV ČR KAN300100802 Institutional research plan: CEZ:AV0Z10100521 Keywords : structural relaxation * Tool-Narayanaswamy-Mazurin model * thermo-mechanical analysis * Ce:NaGd(PO 3 ) 4 glass * dynamic viscosity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.752, year: 2010

  6. Fe(HSO{sub 4}){sub 3} as an Efficient Catalyst for Diazotization and Diazo Coupling Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Rahimizadeh, Mohammad; Eshghi, Hossein; Shiri, Ali; Ghadamyari, Zohreh; Matin, Maryam M.; Pordeli, Parvaneh [Ferdowsi Univ. of Mashhad, Mashhad (Iran, Islamic Republic of); Oroojalian, Fatemeh [Univ. of Tehran, Tehran (Iran, Islamic Republic of)

    2012-12-15

    Diazo coupling reactions of aromatic amines with 2-naphthol in a green, efficient and easy procedure is described. Ferric hydrogensulfate catalyses this reaction in water at room temperature and short reaction time with high yields. The antibacterial activities of the synthesized compounds against four pathogenic bacteria are also investigated.

  7. Orbital and millennial-scale features of atmospheric CH4sub> over the past 800,000 years

    DEFF Research Database (Denmark)

    Loulergue, Laetitia; Schilt, Adrian; Spahni, Renato

    2008-01-01

    Atmospheric methane is an important greenhouse gas and a sensitive indicator of climate change and millennial-scale temperature variability. Its concentrations over the past 650,000 years have varied between approximately 350 and approximately 800 parts per 10(9) by volume (p.p.b.v.) during glaci...

  8. Microchip Yb:CaLnAlO.sub.4./sub. lasers with up to 91% slope efficiency

    Czech Academy of Sciences Publication Activity Database

    Loiko, P.; Serres, J.M.; Mateos, X.; Xu, X.; Xu, J.; Jambunathan, Venkatesan; Navrátil, Petr; Lucianetti, Antonio; Mocek, Tomáš; Zhang, X.; Griebner, U.; Petrov, V.; Aguilo, M.; Diaz, F.; Major, A.

    2017-01-01

    Roč. 42, č. 13 (2017), s. 2431-2434 ISSN 0146-9592 R&D Projects: GA MŠk LO1602; GA MŠk LM2015086 EU Projects: European Commission(XE) 657424 - QuantumLaP Institutional support: RVO:68378271 Keywords : microchip Subject RIV: BH - Optics, Masers, Laser s OBOR OECD: Optics (including laser optics and quantum optics) Impact factor: 3.416, year: 2016

  9. Familial Risk for Major Depression is Associated with Lower Striatal 5-HT4sub> Receptor Binding

    DEFF Research Database (Denmark)

    Madsen, Karine; Torstensen, Eva; Holst, Klaus Kähler

    2015-01-01

    was to determine whether familial risk for MDD is associated with cerebral 5-HT4 receptor binding as measured with [(11)C]SB207145 brain PET imaging. Familial risk is the most potent risk factor of MDD. METHODS: We studied 57 healthy individuals (mean age 36 yrs, range 20-86; 21 women), 26 of which had first...

  10. Further study on different dopings into PbWO.sub.4./sub. single crystals to increase the scintillation light yield

    Czech Academy of Sciences Publication Activity Database

    Kobayashi, M.; Usuki, Y.; Ishii, M.; Itoh, M.; Nikl, Martin

    2005-01-01

    Roč. 540, - (2005), s. 381-394 ISSN 0168-9002 R&D Projects: GA AV ČR(CZ) KSK1010104 Institutional research plan: CEZ:AV0Z10100521 Keywords : lead tungstate * scintillator * light yield * doping, PET Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.224, year: 2005

  11. Intrinsic trapping and recombination centers in CdWO.sub.4./sub. investigated using thermally stimulated luminescence

    Czech Academy of Sciences Publication Activity Database

    Vedda, A.; Moretti, F.; Fasoli, M.; Nikl, Martin; Laguta, Valentyn

    2009-01-01

    Roč. 80, č. 4 (2009), 045104/1-045104/7 ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100810 Institutional research plan: CEZ:AV0Z10100521 Keywords : CdWO 4 * thermoluminescence * traps * rekombination centers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.475, year: 2009

  12. Eldfellite, NaFe(SO4sub>)2, a new fumarolic mineral from Eldfell volcano, Iceland

    DEFF Research Database (Denmark)

    Balic Zunic, Tonci; Garavelli, A.; Acquafredda, P.

    2009-01-01

    A new mineral, eldfellite, was found among fumarolic encrustations collected in 1990 on the Eldfell volcano, Heimaey Island, Iceland. Associated minerals are ralstonite, anhydrite, gypsum, bassanite, hematite, opal and tamarugite, as well as a presumably new mineral with the composition Na3Fe(SO4......)3. Along with opal and tamarugite, eldfellite forms soft and fragile aggregates built of thin, platy crystals of micrometre size. The mineral is yellowish-green to greenish-white, with a white streak. The calculated density is 3.062 g/cm3. Eldfellite is monoclinic, C2/m, a 8.043(4) Å, b 5.139(2) Å, c 7...

  13. R5T4sub> compounds - unique multifunctional intermetallics for basic research and applications

    Energy Technology Data Exchange (ETDEWEB)

    Mudryk, Yaroslav

    2016-10-01

    The unique properties of the rare-earth elements and their alloys have brought them from relative obscurity to high profile use in common high-tech applications. The broad technological impact of these remarkable materials may have never been known by the general public if not for the supply concerns that placed the rare-earth materials on the front page of newspapers and magazines. Neodymium and dysprosium, two essential components of Nd2Fe14B-based high-performance permanent magnets, have drawn much attention and have been deemed critical materials for many energy-related applications. Ironically, the notoriety of rare-earth elements and their alloys is the result of a global movement to reduce their use in industrial applications and, thus, ease concerns about their supply and ultimately to reduce their position in high-tech supply chains. Research into the applications of lanthanide alloys has been de-emphasized recently due to the perception that industry is moving away from the use of rare-earth elements in new products. While lanthanide supply challenges justify efforts to diversify the supply chain, a strategy to completely replace the materials overlooks the reasons rare earths became important in the first place -- their unique properties are too beneficial to ignore. Rare-earth alloys and compounds possess truly exciting potential for basic science exploration and application development such as solid-state caloric cooling. In this brief review, we touch upon several promising systems containing lanthanide elements that show important and interesting magnetism-related phenomena.

  14. Defective ZnCo2O4sub> with Zn vacancies: Synthesis, property and electrochemical application

    DEFF Research Database (Denmark)

    Huang, Guoyong; Yang, Yue; Sun, Hongyu

    2017-01-01

    Through the liquid-phase co-precipitation and alkaline-tailored method, the defective ZnCo2O4 with Zn vacancies (Zn0.95Co2O4) has been synthesized, which is similar to the crystal phase, morphology, and particle size of the pure ZnCo2O4 before etched, except the enlarged BET specific surface. For...

  15. Probing metastable Sm2+ and optically stimulated tunnelling emission in YPO4sub>: Ce, Sm

    DEFF Research Database (Denmark)

    Prasad, Amit Kumar; Kook, Myung Ho; Jain, Mayank

    2017-01-01

    When the model dosimetry system YPO4: Ce3+, Sm3+ is exposed to X-rays, the charge state of the dopants changes, becoming Ce4+ and Sm2+ via hole and electron trapping, respectively which are metastable; the original charge states can be achieved through electron transfer back from Sm2+ to Ce4+ via......) and its temperature dependence to provide insights into thermal quenching, and c) the kinetics of localised recombination from Sm2+ to Ce4+ on nanoseconds to seconds time scales using sub-band-edge excitation....

  16. A TEM study of morphological and structural degradation phenomena in LiFePO4sub>-CB cathodes

    DEFF Research Database (Denmark)

    Ngo, Duc-The; Scipioni, Roberto; Simonsen, Søren Bredmose

    2016-01-01

    ) electrolyte are investigated by transmission electron microscopy at various preparation, assembling, storage, and cycling stages. High-resolution transmission electron microscopy imaging shows that continuous SEI layers are formed on the LiFePO4 particles and that both storage and cycling affect the formation...

  17. The osteogenic differentiation of SSEA-4 sub-population of human adipose derived stem cells using silicate nanoplatelets.

    Science.gov (United States)

    Mihaila, Silvia M; Gaharwar, Akhilesh K; Reis, Rui L; Khademhosseini, Ali; Marques, Alexandra P; Gomes, Manuela E

    2014-11-01

    How to surpass in vitro stem cell differentiation, reducing cell manipulation, and lead the in situ regeneration process after transplantation, remains to be unraveled in bone tissue engineering (bTE). Recently, we showed that the combination of human bone marrow stromal cells with bioactive silicate nanoplatelets (sNPs) promotes the osteogenic differentiation without the use of standard osteogenic inductors. Even more, using SSEA-4(+) cell-subpopulations (SSEA-4(+)hASCs) residing within the adipose tissue, as a single-cellular source to obtain relevant cell types for bone regeneration, was also proposed. Herein, sNPs were used to promote the osteogenic differentiation of SSEA-4(+)hASCs. The interactions between SSEA-4(+)hASCs and sNPs, namely the internalization pathway and effect on cells osteogenic differentiation, were evaluated. SNPs below 100 μg/mL showed high cytocompatibility and fast internalization via clathrin-mediated pathway. SNPs triggered an overexpression of osteogenic-related markers (RUNX2, osteopontin, osteocalcin) accompanied by increased alkaline phosphatase activity and deposition of a predominantly collagen-type I matrix. Consequently, a robust matrix mineralization was achieved, covering >90% of the culturing surface area. Overall, we demonstrated the high osteogenic differentiation potential of SSEA-4(+)hASCs, further enhanced by the addition of sNPs in a dose dependent manner. This strategy endorses the combination of an adipose-derived cell-subpopulation with inorganic compounds to achieve bone matrix-analogs with clinical relevance. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Electron spin resonance study of self-trapped holes in CdWO.sub.4./sub. scintillator crystals

    Czech Academy of Sciences Publication Activity Database

    Laguta, Valentyn; Nikl, Martin; Rosa, Jan; Grinyov, B.V.; Nagornaya, L.L.; Tupitsina, I.A.

    2008-01-01

    Roč. 104, č. 10 (2008), 103525/1-103525/6 ISSN 0021-8979 R&D Projects: GA AV ČR IAA100100810 Institutional research plan: CEZ:AV0Z10100521 Keywords : scintillator * EPR * point defects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.201, year: 2008

  19. Atomically resolved spectroscopic study of Sr.sub.2./sub.IrO.sub.4./sub.: Experiment and theory

    Czech Academy of Sciences Publication Activity Database

    Li, Q.; Cao, G.; Okamoto, S.; Yi, J.; Lin, W.; Sales, B.C.; Yan, J.; Arita, R.; Kuneš, Jan; Kozhevnikov, A.V.; Eguiluz, A.G.; Imada, M.; Gai, Z.; Pan, M.; Mandrus, D.G.

    2013-01-01

    Roč. 3, OCT (2013), s. 1-7 ISSN 2045-2322 R&D Projects: GA ČR GA13-25251S Institutional support: RVO:68378271 Keywords : Sr 2 IrO 4 * scanning tunneling microscopy * Mott insulator * Slater insulator Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.078, year: 2013 http://www.nature.com/srep/2013/131029/srep03073/full/srep03073.html

  20. Enhanced self-administration of alcohol in muscarinic acetylcholine M4sub> receptor knockout mice

    DEFF Research Database (Denmark)

    de la Cour, Cecilie; Sørensen, Gunnar; Wörtwein, Gitta

    2015-01-01

    % and 10% alcohol in 60min sessions, 6 days/week, after having undergone a standard sucrose fading training procedure on a fixed ratio schedule. The mice were further subjected to an extinction period followed by a 1 day reinstatement trial. M4-/- mice consumed more alcohol at 5% and 8% compared to their M......4+/+ littermates. The highest alcohol concentration used (10%) did not immediately result in divergent drinking patterns, but after 4 weeks of 10% alcohol self-administration, baseline levels as well as a pattern of M4-/- mice consuming more alcohol than their M4+/+ controls were re...

  1. CYP3A4sub> Mediates Oxidative Metabolism of the Synthetic Cannabinoid AKB-48

    DEFF Research Database (Denmark)

    Holm, Niels Bjerre; Nielsen, Line Marie; Linnet, Kristian

    2015-01-01

    the metabolism of N-(1-adamantyl)-1-pentyl-1H-indazole-3-carboxamide (AKB-48), a compound identified in herbal blends from 2012 and onwards. We screened for metabolite formation using a panel of nine recombinant cytochrome P450 (CYP) enzymes (CYP1A2, 2B6, 2C8, 2C9, 2C18, 2C19, 2D6, 2E1, and 3A4) and compared...

  2. Bobcookite, NaAl(UO.sub.2./sub.).sub.2./sub.(SO.sub.4./sub.).sub.4./sub.•18H.sub.2./sub.O and wetherillite, Na.sub.2./sub.Mg(UO.sub.2./sub.).sub.2./sub.(SO.sub.4./sub.).sub.4./sub.•18H.sub.2./sub.O, two new uranyl sulfate minerals from the Blue Lizard mine, San Juan County, Utah, USA

    Czech Academy of Sciences Publication Activity Database

    Kampf, A.R.; Plášil, Jakub; Kasatkin, A.V.; Marty, J.

    2015-01-01

    Roč. 79, č. 3 (2015), s. 695-714 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : bobcookite * wetherillite * new mineral * uranyl sulfate * crystal structure * Blue Lizard mine * Utah * USA Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.212, year: 2015

  3. Pressure-enhanced light emission and its structural origin in Er:GdVO 4sub>

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Fang; Yue, Binbin; Cheng, Zhenxiang; Shen, Hui; Yang, Ke; Hong, Xinguo; Chen, Bin; Mao, Ho-Kwang

    2017-01-09

    Rare earth phosphors have been widely studied because of their sharp emission lines and excellent optical performance. However, photoluminescence (PL) tuning by crystal field in Er3+ embedded phosphors has always been a challenge. Here, we demonstrate that pressure can help to enhance the red and green light emission simultaneously in Er:GdVO4. Synchrotron X-ray diffraction investigations revealed that a structural phase transition was responsible for the enhancement. Our work brightens the future prospects for applications of Er3+-based PL materials in various fields, such as high power lasers and (bio) medical imaging.

  4. Structure and reactions of GRNa,SO4sub> and the occurence of GR in nature

    DEFF Research Database (Denmark)

    Christiansen, Bo C.

    2008-01-01

    The purpose of this PhD thesis is to describe the processes that take place where iron-containing minerals are present. The work was especially focused on the ferro-ferric hydroxide minerals, the green rust series, and their possible role in the geochemical iron-cycle. The goal of the first study...... it attaches to substrates such as glass and mica. The sampling was done from the site close to the airport of Bornholm and in the Äspö hard rock laboratory tunnel. The samples were transported to the laboratory under nitrogen where the X-ray diffraction showed that the material contained GRCO3. The presence...

  5. Numerical methods for studying anharmonic oscillator approximations to the phi super 4 sub 2 quantum field theory

    Science.gov (United States)

    Isaacson, D.; Marchesin, D.; Paes-Leme, P. J.

    1980-01-01

    This paper is an expanded version of a talk given at the 1979 T.I.C.O.M. conference. It is a self-contained introduction, for applied mathematicians and numerical analysts, to quantum mechanics and quantum field theory. It also contains a brief description of the authors' numerical approach to the problems of quantum field theory, which may best be summarized by the question; Can we compute the eigenvalues and eigenfunctions of Schrodinger operators in infinitely many variables.

  6. Infrared transmission study of Pr.sub.2./sub.CuO.sub.4./sub. crystal-field excitations

    Czech Academy of Sciences Publication Activity Database

    Riou, G.; Jandl, S.; Poirier, M.; Nekvasil, Vladimír; Diviš, M.; Fournier, P.; Greene, R. L.; Zhigunov, D. I.; Barilo, S. N.

    2001-01-01

    Roč. 23, - (2001), s. 179-182 ISSN 1434-6028 R&D Projects: GA ČR GA202/00/1602; GA ČR GA202/99/0184 Grant - others:GA UK(XC) 145/2000/B-FYZ; DMR(XX) 9732796 Institutional research plan: CEZ:AV0Z1010914 Keywords : optical properties * crystal and ligand fields * other cuprates Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.811, year: 2001

  7. Scaling analysis of [Fe(pyrazole){sub 4}]{sub 2}[Nb(CN){sub 8}] molecular magnet

    Energy Technology Data Exchange (ETDEWEB)

    Konieczny, P., E-mail: piotr.konieczny@ifj.edu.pl [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków (Poland); Pełka, R.; Zieliński, P.M. [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków (Poland); Pratt, F.L. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxfordshire OX11 0QX (United Kingdom); Pinkowicz, D.; Sieklucka, B. [Department of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Wasiutyński, T. [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków (Poland)

    2013-10-15

    The critical behaviour of the three dimensional (3D) molecular magnet {[Fe"I"I(pirazol)_4]_2[Nb"I"V(CN)_8]·4H_2O}{sub n} has been studied with the use of experimental techniques such as ac magnetometry and zero field μSR spectroscopy. The sample orders magnetically below T{sub c}=7.8 K. The measurements allowed to determine static exponents β, γ, and the dynamic exponent w. The resulting exponent values indicate that the studied system belongs to the universality class of the 3D Heisenberg model. - Highlights: • The critical behaviour of {[Fe"I"I(pirazol)_4]_2[Nb"I"V(CN)_8]∙4H_2O}{sub n} has been studied. • Critical exponents β, γ, and w were obtained from ac magnetometry and ZF µSR data. • All obtained values of critical exponents are close to the 3D Heisenberg model.

  8. Electron Spin Resonance study of charge trapping in α-ZnMoO.sub.4./sub. single crystal scintillator

    Czech Academy of Sciences Publication Activity Database

    Buryi, Maksym; Spassky, D.A.; Hybler, Jiří; Laguta, Valentyn; Nikl, Martin

    2015-01-01

    Roč. 47, Sep (2015), 244-250 ISSN 0925-3467 R&D Projects: GA MŠk LO1409; GA MŠk(CZ) LM2011029; GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : Electron Spin Resonance * scintillator * charge traps * zinc molybdate Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.183, year: 2015

  9. A new modification of thallium chromate related to the /beta-K.sub.2./sub.SO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl

    2010-01-01

    Roč. 66, Part 5 (2010), i45-i49 ISSN 0108-2701 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : Tl 2 CrO 4 * beta-K 2 SO 4 family * bond valences * global instability index Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.745, year: 2010

  10. On the pressure and temperature dependence of the magnetization and anisotropy behavior of YCo.sub.4./sub.B

    Czech Academy of Sciences Publication Activity Database

    Mayot, H.; Isnard, O.; Arnold, Zdeněk; Kamarád, Jiří

    2008-01-01

    Roč. 20, č. 13 (2008), 135207/1-135207/8 ISSN 0953-8984 R&D Projects: GA AV ČR IAA1010315 Institutional research plan: CEZ:AV0Z10100521 Keywords : rare-earth compound * high pressure * spin reorientation * anisotropy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.900, year: 2008

  11. Effects of pressure on the magnetic and crystallographic structure of Er.sub.5./sub.Si.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Magen, C.; Morellon, L.; Arnold, Zdeněk; Algarabel, P.A.; Ritter, C.; Ibarra, M.R.; Kamarád, Jiří; Tsokol, A. O.; Gschneidner, Jr., K. A.; Pecharsky, V. K.

    2006-01-01

    Roč. 74, č. 13 (2006), 134427/1-134427/7 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GA106/06/0368 Grant - others:MEC(ES) MAT2005-05565-CO2; DGA(ES) PIP017/2005 and E26; Materials Science Division, Department of Energy(US) W-7405-ENG-82 Institutional research plan: CEZ:AV0Z10100521 Keywords : intermetallic compounds * magnetic properties * crystal structure * pressure effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.107, year: 2006

  12. Finite-size corrections for quantum strings on AdS4sub> x CP3

    DEFF Research Database (Denmark)

    Astolfi, D.; Puletti, V.G.M.; Grignani, G.

    2011-01-01

    the one for light modes. With this prescription the strong-weak coupling interpolating function h(¿), entering the magnon dispersion relation, does not receive a one-loop correction, in agreement with the algebraic curve spectrum. However, the single magnon dispersion relation exhibits finite...

  13. Anisotropy of the neodymium-copper exchange interaction in Nd.sub.2./sub.CuO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Nugroho, A. A.; Nekvasil, Vladimír; Veltruský, Ivan; Jandl, S.; Richard, P.; Menovsky, A. A.; Boer, de F. R.; Franse, J. J. M.

    226-230, - (2001), s. 973-975 ISSN 0304-8853 R&D Projects: GA ČR GA202/00/1602 Institutional research plan: CEZ:A02/98:Z1-010-914 Keywords : exchange coupling * high Tc superconductivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.329, year: 2001

  14. Pressure effect on phase transitions and magnetocaloric effect in Gd.sub.5./sub.Ge.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Arnold, Zdeněk; Skorokhod, Yuriy; Kamarád, Jiří; Magen, C.; Algarabel, P.A.

    2009-01-01

    Roč. 105, č. 3 (2009), 07A934/1-07A934/3 ISSN 0021-8979 R&D Projects: GA ČR(CZ) GA106/06/0368 Institutional research plan: CEZ:AV0Z10100521 Keywords : Curie temperature * ferromagnetic materials * ferromagnetic-antiferromagnetic transitions * gadolinium compounds * magnetocaloric effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.072, year: 2009

  15. Magnetostriction of a U.sub.2./sub.Fe.sub.13./sub.Si.sub.4./sub. single crystal

    Czech Academy of Sciences Publication Activity Database

    Andreev, Alexander V.; Tereshina, Evgeniya; Prokleška, J.

    2010-01-01

    Roč. 491, 1-2 (2010), s. 4-7 ISSN 0925-8388 R&D Projects: GA ČR GA202/09/0339 Institutional research plan: CEZ:AV0Z10100520 Keywords : uranium intermetallics * single crystals * ferromagnetism * magnetostriction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.138, year: 2010

  16. Relaxation phenomena in ensembles of CoFe.sub.2./sub.O.sub.4./sub. nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Bittová, Barbara; Poltierová Vejpravová, Jana; Morales, M.P.; Roca, A.G.; Mantlíková, A.

    2012-01-01

    Roč. 324, č. 6 (2012), s. 1182-1188 ISSN 0304-8853 Institutional research plan: CEZ:AV0Z10100520 Keywords : CoFe 2 O 4 * super-spin-glass * coprecipitation * decomposition * dynamic magnetic properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.826, year: 2012

  17. Molecular Level Investigation of CH 4sub> and CO 2 Adsorption in Hydrated Calcium–Montmorillonite

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Mal-Soon [Physical; McGrail, B. Peter [Physical; Rousseau, Roger [Physical; Glezakou, Vassiliki-Alexandra [Physical

    2017-11-17

    We have studied the mechanism of intercalation and methane adsorption from a H2O/CH4/CO2 mixture on a prototypical shale component, Ca-montmorillonite. We employed ab initio molecular dynamics simulations at 323 K and 90 bar to obtain molecular level information of adsorption energetics, speciation, and structural and thermodynamic properties. Interaction of CH4 with surface Lewis acidic sites (Ca2+, surface OH) results in large induced dipoles (~1 D) that lead to relatively strong adsorption energies that level off once a full CH4 layer is formed. Intercalated CH4, also exhibits induced dipoles at low hydration levels, when the interaction with Ca2+ cations are less hindered. CO2 displaces CH4 in the coordination sphere of the cations (in the interlayer) or in the surface, thereby driving CH4 extraction. Our simulations indicate that there is a Goldilocks pressure range (~60-100 bar) where scCO2 –facilitated CH4 extraction will be maximized.

  18. Electron paramagnetic resonance study of copper impurity charge-states in PbWO.sub.4./sub. scintillator

    Czech Academy of Sciences Publication Activity Database

    Hofstaetter, A.; Laguta, V. V.; Meyer, B.K.; Nikl, Martin; Rosa, Jan; Zhu, R.Y.

    2004-01-01

    Roč. 38, - (2004), s. 703-706 ISSN 1350-4487 R&D Projects: GA AV ČR(CZ) KSK1010104 Keywords : electron paramagnetic resonance * tungstates * defects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.664, year: 2004

  19. Thermal conductivity of a layered CsGd(MoO.sub.4./sub.).sub.2./sub. crystal

    Czech Academy of Sciences Publication Activity Database

    Tibenská, K.; Tkáč, V.; Orendáčová, A.; Orendáč, M.; Feher, A.; Šebek, Josef; Sechovský, V.

    2010-01-01

    Roč. 118, č. 5 (2010), s. 971-972 ISSN 0587-4246 Institutional research plan: CEZ:AV0Z10100520 Keywords : thermal conductivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.467, year: 2010 http://przyrbwn.icm.edu.pl/APP/PDF/118/a118z5p105.pdf

  20. Structurally flexible and solution stable [Ln4sub>TM8(OH)8(L)8(O2CR)8(MeOH)y](ClO4sub>)4sub>

    DEFF Research Database (Denmark)

    Hooper, Thomas N.; Inglis, Ross; Lorusso, Giulia

    2016-01-01

    the predominant antiferromagnetic interactions in 2a yield an inverse magnetocaloric effect; that is, the temperature increases on lowering the applied field, under the proper experimental conditions. In spite of increasing the magnetic density by adding ions that bring in antiferromagnetic interactions (2a...... effect evolves by introducing either antiferromagnetic or ferromagnetic interactions, or magnetic anisotropy, by substituting the nonmagnetic ZnII (1a) with CuII (2a), NiII (6a) or CoII (7a), respectively. The largest magnetocaloric effect is found for the ferromagnetically coupled complex 6a, while......) or magnetic anisotropy (7a), the magnetocaloric effect is overall smaller in 2a and 7a than in 1a, where only four GdIII spins per molecule contribute to the magnetocaloric properties....

  1. Thermodynamic properties of tooeleite, Fe63+(As3+O3)4sub>(SO4sub>)(OH)4sub>·4H2O

    DEFF Research Database (Denmark)

    Majzlan, Juraj; Dachs, Edgar; Benisek, Artur

    2016-01-01

    -As-S-O-H. In this contribution, we report the thermodynamic properties of synthetic tooeleite. The sample was characterized by powder X-ray diffraction, scanning electron microscopy, extended X-ray absorption fine-structure spectroscopy, and Mössbauer spectroscopy. These methods confirmed that the sample is pure, devoid...... capacity data measured by relaxation calorimetry, is 899.0 ± 10.8 J mol−1 K−1. The calculated standard Gibbs free energy of formation is −5396.3 ± 9.3 kJ mol−1. The log Ksp value, calculated for the reaction Fe6(AsO3)4(SO4)(OH)4·4H2O + 16H+ = 6Fe3+ + 4H3AsO3 + SO42− + 8H2O, is −17.25 ± 1.80. Tooeleite has...

  2. High-temperature stability of thermoelectric Ca3Co4sub>O9 thin films

    DEFF Research Database (Denmark)

    Brinks, P.; Van Nong, Ngo; Pryds, Nini

    2015-01-01

    An enhanced thermal stability in thermoelectric Ca3Co4O9 thin films up to 550 °C in an oxygen rich environment was demonstrated by high-temperature electrical and X-ray diffraction measurements. In contrast to generally performed heating in helium gas, it is shown that an oxygen/helium mixture...... provides sufficient thermal contact, while preventing the previously disregarded formation of oxygen vacancies. Combining thermal cycling with electrical measurements proves to be a powerful tool to study the real intrinsic thermoelectric behaviour of oxide thin films at elevated temperatures. © 2015 AIP...

  3. Deprotonation of g-C3N4sub> with Na ions for efficient nonsacrificial water splitting under visible light

    DEFF Research Database (Denmark)

    Guo, Feng; Chen, Jingling; Zhang, Minwei

    2016-01-01

    Developing a photocatalyst with the necessary characteristics of being cheap, efficient and robust for visible-light-driven water splitting remains a serious challenge within the photocatalysis field. Herein, an effective strategy, deprotonating g-C3N4 with Na ions from low-cost precursors...

  4. Surface spin effects in La-doped CoFe.sub.2./sub.O.sub.4./sub. nanoparticles prepared by microemulsion route

    Czech Academy of Sciences Publication Activity Database

    Burianová, Simona; Poltierová Vejpravová, Jana; Holec, Petr; Plocek, J.; Nižňanský, D.

    2011-01-01

    Roč. 110, č. 7 (2011), "073902-1"-"073902-7" ISSN 0021-8979 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z40320502 Keywords : CoFe 2 O 4 nanoparticles * lanthanum doping * microemulsion route * high coercivity * surface spin effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.168, year: 2011

  5. Synthesis, Characterizations of Superparamagnetic Fe3O4sub>-Ag Hybrid Nanoparticles and Their Application for Highly Effective Bacteria Inactivation

    DEFF Research Database (Denmark)

    Tung, L.M.; Cong, N.X.; Huy, L.T.

    2016-01-01

    In recent years, outbreaks of infectious diseases caused by pathogenic micro-organisms pose a serious threat to public health. In this work, Fe3O4-Ag hybrid nanoparticles were synthesized by simple chemistry method and these prepared nanoparticles were used to investigate their antibacterial...... with silver nanoparticles can be a potential candidate to effectively treat infectious MRSA pathogen with recyclable capability, targeted bactericidal delivery and minimum release into environment....

  6. Fundamental insight in soot oxidation over a Ag/Co3O4sub> catalyst by means of Environmental TEM

    DEFF Research Database (Denmark)

    Gardini, Diego; Christiansen, J. M.; Jensen, Anker Degn

    A novel Ag/Co3O4 catalyst for low-temperature soot oxidation has been studied by means of environmental TEM in order to get fundamental insight in the oxidation mechanism. Soot particles generated in diesel engines are responsible for respiratory diseases, lung cancer and affect the climate both...... on preparation method, degree of contact with the soot and temperature range. In order to fully understand the role of the single constituents and the influence of different operating conditions in the overall catalytic activity, flow reactor experiments have been coupled with in situ soot oxidation...

  7. Negative ions formed in N2/CH4sub>/Ar discharge – a simulation of Titan's atmosphere chemistry

    OpenAIRE

    Horvath, G.; Aranda-Gonzalvo, Y.; Mason, N. J.; Zahoran, M.; Matejcik, S.

    2010-01-01

    The formation of negative ions produced in a negative point-to-plane corona discharge fed by a Ar/N2//CH4/ gas mixture has been studied using mass spectrometry. The measurements were carried out in flowing regime at ambient temperature and a reduced pressure of 460 mbar. The CN ? anion has been found to be the most dominant negative ion in the discharge and is believed to be the precursor of heavier negative ions such as C3/N ? and C5/N ? . The most likely pathway for the formation of such mo...

  8. Low temperature synthesis of {tau}-zirconium hydrogenophosphate [{tau}-Zr(HPO{sub 4}){sub 2}] and a new sodic form obtained by ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Valverde, Suilma M., E-mail: suilma.fernandez@inin.gob.mx [Depto. de Quimica, Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. C.P. 11801 (Mexico); Contreras-Ramirez, Aida [Depto. de Quimica, Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. C.P. 11801 (Mexico); Depto. de Tecnologia de Materiales, Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. C.P. 11801 (Mexico); Facultad de Ciencias, Universidad Autonoma del Estado de Mexico, Piedras Blancas El Cerrillo, Tlachaloya Estado de Mexico, CP.5000 (Mexico); Ordonez-Regil, Eduardo [Depto. de Quimica, Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. C.P. 11801 (Mexico); Fernandez-Garcia, M. Eufemia [Depto. de Tecnologia de Materiales, Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. C.P. 11801 (Mexico); Perez-Alvarez, Mario [Depto. de Ambientales, Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. C.P. 11801 (Mexico)

    2013-02-15

    A new method for the synthesis of 3-D {tau}-zirconium hydrogenophosphate (TZP) was developed using solid-state reactions at low temperature and atmospheric pressure in a nitrogen atmosphere in a two-hour reaction time. The characterization of the compound was performed using X-ray diffraction, infrared spectroscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy, differential scanning calorimetric, thermochemical analysis and X-ray photoelectron spectroscopy. A sodic form of the compound obtained by the immersion of TZP in a sodium hydroxide solution was characterized using the same techniques along with neutron activation analysis. The XPS spectra confirm the binding energy value for sodium-oxygen, and the XRD diffraction reveals the formation of a new sodium compound. - Graphical abstract: DRX, XPS and MEB of {tau}-zirconium hydrogenophosphate and its sodic form on the surface of TZP. Highlights: Black-Right-Pointing-Pointer New method for the syntheses of 3-D {tau}-zirconium hydrogenophosphate (TZP). Black-Right-Pointing-Pointer A sodic form of the TZP was obtained by the immersion of TZP in a sodium hydroxide. Black-Right-Pointing-Pointer The sodium compound is only formed on the TZP surface.

  9. Preparation and crystal structure of the phosphato-niobate Tl sub 3 NaNb sub 4 O sub 9 (PO sub 4 ) sub 2

    Energy Technology Data Exchange (ETDEWEB)

    Fakhfakh, M. (Tunis Univ. (Tunisia). Faculte des Sciences); Verbaere, A. (Nantes Univ., 44 (France)); Jouini, N. (Ecole Normale Superieure de l' Enseignement Technique, Tunis (TN))

    1992-01-01

    Chemical preparation and crystal structure are described. The symmetry is orthorhombic, space group C2cm. The crystal structure has been determined using. The structure is built up from NbO{sub 6} octahedra sharing corners and PO{sub 4} tetrahedra sharing three of their corners with octahedra to form chains running along c. These chains are connected together by isolted NbO{sub 6} octahedra leasing to a three-dimensional framework which delimits cavities and tunnels occupied by the Tl and Na ions.

  10. Mechanical and tribological properties of coatings sputtered from SiC target in the presence of CH.sub.4./sub. gas

    Czech Academy of Sciences Publication Activity Database

    Kulykovskyy, Valeriy; Vorlíček, Vladimír; Čtvrtlík, Radim; Boháč, Petr; Suchánek, J.; Bláhová, O.; Jastrabík, Lubomír

    2011-01-01

    Roč. 205, č. 11 (2011), s. 3372-3376 ISSN 0257-8972 R&D Projects: GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : amorphous SiC films * sputtering * hardness * coefficient of friction * Raman spectra Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.867, year: 2011

  11. Optical and Dielectric Properties of CuAl2O4sub> Films Synthesized by Solid-Phase Epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Leu, L. C. [University of Florida, Gainesville; Norton, David P. [University of Florida; Jellison Jr, Gerald Earle [ORNL; Selvamanickam, V. [SuperPower Incorporated, Schenectady, New York; Xiong, X. [SuperPower Incorporated, Schenectady, New York

    2007-01-01

    The synthesis and properties of CuAl{sub 2}O{sub 4} thin films have been examined. The CuAl{sub 2}O{sub 4} films were deposited via reactive direct current magnetron sputter using a CuAl{sub 2} target. As-deposited films were amorphous. Post-deposition annealing at high temperature in oxygen yielded solid-phase epitaxy on MgO. The film orientation was cube-on-cube epitaxy on (001) MgO single-crystal substrates. The films were transparent to visible light. The band gap of crystalline CuAl{sub 2}O{sub 4} was determined to be {approx} 4 eV using a Tauc plot from the optical transmission spectrum. The dielectric constant of the amorphous films was determined to be {approx} 20-23 at 1-100 kHz.

  12. Electronic structure and transport in the low-temperature thermoelectric CsBi4sub>Te6: Semiclassical transport equations

    DEFF Research Database (Denmark)

    Lykke, Lars; Iversen, Bo Brummerstedt; Madsen, Georg

    2006-01-01

    The band structure of the low-temperature thermoelectric material, CsBi4Te6, is calculated and analyzed using the semiclassic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties, a band gap of 0.08 eV must be enforced. A gap in reasonable...... agreement with experiment was obtained using the generalized gradient functional of Engel and Vosko [E. Engel and S. H. Vosko, Phys. Rev. B 47, 13164 (1993)]. We found that the experimental p-type sample has a carrier concentration close to optimal. Furthermore, the conduction bands have a form equally well...

  13. Continuous-wave and passively Q-switched cryogenic Yb: KLu(WO.sub.4./sub.).sub.2./sub. laser

    Czech Academy of Sciences Publication Activity Database

    Navrátil, Petr; Jambunathan, Venkatesan; Paul David, Samuel; Yue, Fangxin; Serres, J.M.; Mateos, X.; Aguilo, M.; Diaz, F.; Griebner, U.; Petrov, V.; Lucianetti, Antonio; Mocek, Tomáš

    2017-01-01

    Roč. 25, č. 21 (2017), s. 25886-25893 ISSN 1094-4087 R&D Projects: GA MŠk LO1602; GA MŠk LM2015086 EU Projects: European Commission(XE) 739573 - HiLASE CoE Grant - others:OP VVV - HiLASE-CoE(XE) CZ.02.1.01/0.0/0.0/15_006/0000674 Institutional support: RVO:68378271 Keywords : diode-pumped lasers * laser materials Subject RIV: BH - Optics, Masers, Lasers OBOR OECD: Optics (including laser optics and quantum optics) Impact factor: 3.307, year: 2016

  14. Large-scale electricity storage utilizing reversible solid oxide cells combined with underground storage of CO2 and CH4sub>

    DEFF Research Database (Denmark)

    Jensen, Søren Højgaard; Graves, Christopher R.; Mogensen, Mogens Bjerg

    2015-01-01

    Electricity storage is needed on an unprecedented scale to sustain the ongoing transition of electricity generation from fossil fuels to intermittent renewable energy sources like wind and solar power. Today pumped hydro is the only commercially viable large-scale electricity storage technology......-scale electricity storage with a round-trip efficiency exceeding 70% and an estimated storage cost around 3 b kW-1 h-1, i.e., comparable to pumped hydro and much better than previously proposed technologies...

  15. X-ray diffraction study of a semiconductor/electrolyte interface: n-GaAs(001)/H2SO4sub>(:Cu)

    DEFF Research Database (Denmark)

    Zegenhagen, J.; Kazimirov, A.; Scherb, G.

    1996-01-01

    We used X-ray diffraction to investigate the n-GaAs(001)/0.5M H2SO4 interface in-situ under potential control in a three-electrode, thin-layer electrochemical cell. The intensity of crystal truncation rods as a function of the electrode potential was recorded. A pronounced increase in surface rou...

  16. Nitrogen 15 abundance in protein fractions of beans fertilized with ({sup 15}NH{sub 4}){sub 2}SO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Chaud, Saula Goulart; Oliveira, Admar Costa de [Universidade Estadual de Campinas, SP (Brazil). Faculdade de Estudos Agricolas. Dept. de Planejamento Alimentar e Nutricao; Trivelin, Paulo Cesar Ocheuze [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Isotopos Estaveis]. E-mail: admarco@fea.unicamp.br

    2002-12-01

    Studies evaluating the protein nutritive value of beans labelled with 15 N, using nitrogen balance and the quantitation of faecal and urinary endogenous nitrogen, determined by isotopic dilution, have been extensively used. The objective of this research was to verify if the isotopic labelling of raw, freeze dried beans (Phaseolus vulgaris L., cultivar Pirata 1) with 1.394 atoms % 15 N, resulted in the same abundance of the whole flour and of the protein fractions extracted from the beans with 0.5 mol L{sup -1} NaCl. The isotopic abundance found in the whole bean flour, in the protein extract, in the globulin and albumin fractions were respectively: 1.394 +- 0.011; 1.403 +- 0.012; 1.399 +- 0.007 and 1.399 +- 0.028 atoms % of 15 N, presenting no difference (P > 0.05). However, a difference was found (P < 0.05) between the above mentioned abundances and the isotopic abundance found in the nitrogen of the proteins in the extraction residue, which was 0.969 +- 0.084. Since the abundances did not differ, the protein nutritive indexes, such as digestibility and biological value, determined from the nitrogen balance and corrected for isotopic dilution, would not be affected by extracting the proteins from the beans with 0.5 mol L 1 NaCl. If working with the nitrogen balance of the residual proteins after extraction and even with the whole flours, these indexes could present incorrect values, since the isotopic labelling of the residual proteins was less than that of the protein fractions. (author)

  17. Large CO 2 and CH 4sub> emissions from polygonal tundra during spring thaw in northern Alaska: Spring Pulse Emission

    Energy Technology Data Exchange (ETDEWEB)

    Raz-Yaseef, Naama [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory, Berkeley California USA; Torn, Margaret S. [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory, Berkeley California USA; Energy and Resources Group, University of California, Berkeley California USA; Wu, Yuxin [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory, Berkeley California USA; Billesbach, Dave P. [Biological Systems Engineering Department, University of Nebraska-Lincoln, Lincoln Nebraska USA; Liljedahl, Anna K. [Water and Environmental Research Center, University of Alaska Fairbanks, Fairbanks Alaska USA; Kneafsey, Timothy J. [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory, Berkeley California USA; Romanovsky, Vladimir E. [Geophysical Institute, University of Alaska Fairbanks, Fairbanks Alaska USA; Cook, David R. [Environmental Science Division, Argonne National Laboratory, Lemont Illinois USA; Wullschleger, Stan D. [Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge Tennessee USA

    2017-01-10

    The few prethaw observations of tundra carbon fluxes suggest that there may be large spring releases, but little Is lmown about the scale and underlying mechanisms of this phenomenon. To address these questions, we combined ecosystem eddy flux measurements from two towers near Barrow, Alaska, with mechanistic soil-core thawing experiment During a 2week period prior to snowmelt In 2014, large fluxes were measured, reducing net summer uptake of CO2 by 46% and adding 6% to cumulative CH4 emissions. Emission pulses were linked to unique rain-on-snow events enhancing soli cracking. Controlled laboratory experiment revealed that as surface Ice thaws, an immediate, large pulse of trapped gases Is emitted. These results suggest that the Arctic C02 and CH4 spring pulse is a delayed release of biogenic gas production from the previous fall and that the pulse can be large enough to offset a significant fraction of the moderate Arctic tundra carbon sink.

  18. Epitaxy-distorted spin-orbit Mott insulator in Sr.sub.2./sub.IrO.sub.4./sub. thin films

    Czech Academy of Sciences Publication Activity Database

    Rayan Serrao, C.; Liu, J.; Heron, J.T.; Singh-Bhalla, G.; Yadav, A.; Suresha, S.; Paull, R.J.; Yi, D.; Chu, J.-H.; Trassin, M.; Vishwanath, A.; Arenholz, E.; Frontera, C.; Železný, Jakub; Jungwirth, Tomáš; Martí, Xavier; Ramesh, R.

    2013-01-01

    Roč. 87, č. 8 (2013), , , "085121-1"-"085121-6" ISSN 1098-0121 EU Projects: European Commission(XE) 268066 - 0MSPIN Grant - others:AV ČR(CZ) AP0801 Program:Akademická prémie - Praemium Academiae Institutional support: RVO:68378271 Keywords : oxide semiconductors * spin-orbit coupling Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  19. Screening of NiFe2O4sub> Nanoparticles as Oxygen Carrier in Chemical Looping Hydrogen Production

    DEFF Research Database (Denmark)

    Liu, Shuai; He, Fang; Huang, Zhen

    2016-01-01

    ) methods were used to prepare NiFe2O4 oxygen carriers. Samples were characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) surface area measurement, as well as Barrett-Joyner-Halenda (BJH......The objective of this paper is to systematically investigate the influences of different preparation methods on the properties of NiFe2O4 nanoparticles as oxygen carrier in chemical looping hydrogen production (CLH). The solid state (SS), coprecipitation (CP), hydrothermal (HT), and sol-gel (SG...... gas (24% H2 + 24% CO + 12% CO2 + N2 balance), then reacted with steam to produce H2, and finally fully oxidized by air. The NiFe2O4 oxygen carrier prepared by the sol gel method showed the best capacity for hydrogen production and the highest recovery degree of lattice oxygen, in agreement...

  20. Stoichiometric control in Bi4sub>Ti3O12 synthesis by novel hybrid solid state reaction

    DEFF Research Database (Denmark)

    Gadea, C.; Phatharapeetranun, N.; Ksapabutr, B.

    2018-01-01

    The synthesis of bismuth titanate Bi4Ti3O12 (BiT) is performed via a novel solid state reaction. The reaction is designed to control the stoichiometric content of the highly volatile element, i.e. Bi. The chemical route consists in trapping bismuth oxide colloids in a stabilized titanium based sol...

  1. Osmotic and ionic effects of NaCl and Na2SO4sub> salinity on Phragmites australis

    DEFF Research Database (Denmark)

    Pagter, Majken; Bragato, Claudia; Malagoli, Mario

    2009-01-01

    Osmotic and ion-specific effects of NaCl and Na2SO4 on Phragmites australis (Cav.) Trin ex. Steud. were investigated in a laboratory experiment by examining effects of iso-osmotic solutions of NaCl and Na2SO4 on growth, osmolality of cell sap, proline content, elemental composition and gas exchange....... Plants were supplied with a control standard nutrient solution (Ψ = -0.09 MPa) or solutions of NaCl or Na2SO4 at water potentials of -0.50, -1.09 or -1.74 MPa. Salt treatments increased root concentrations of Na and S or Cl, whereas P. australis had efficient mechanisms for exclusion of Na and S...... and partly Cl ions from the leaves. Incomplete exclusion of Cl from the leaves may affect aboveground biomass production, which was significantly more reduced by NaCl than Na2SO4. Stomatal conductance was negatively influenced by decreasing water potentials caused by NaCl or Na2SO4, implying that a non...

  2. Optical properties and surface characterization of pulsed laser-deposited Cu2ZnSnS4sub> by spectroscopic ellipsometry

    DEFF Research Database (Denmark)

    Crovetto, Andrea; Cazzaniga, Andrea Carlo; Ettlinger, Rebecca Bolt

    2015-01-01

    the dielectric function of the films. It is found that the surface overlayer changes with film thickness and deposition temperature. Adopting different ellipsometry measurements and modeling strategies for each film, dielectric functions are extracted and compared. As the deposition temperature is increased...

  3. Recombination luminescence and EPR of Mn doped Li.sub.2./sub.B.sub.4./sub.O.sub.7./sub. single crystals

    Czech Academy of Sciences Publication Activity Database

    Romet, I.; Buryi, Maksym; Corradi, G.; Feldbach, E.; Laguta, Valentyn; Tichy-Racs, E.; Nagirnyi, V.

    2017-01-01

    Roč. 70, Aug (2017), s. 184-193 ISSN 0925-3467 R&D Projects: GA MŠk LO1409; GA MŠk LM2015088; GA ČR GA17-09933S Institutional support: RVO:68378271 Keywords : lithium tetraborate * Q-band EPR * photoluminescence Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.238, year: 2016

  4. Formation of graphene-like 2D spinel MnCo2O4sub> and its lithium storage properties

    DEFF Research Database (Denmark)

    Huang, Guoyong; Guo, Xueyi; Cao, Xiao

    2017-01-01

    Two-dimensional (2D) materials fulfill the requirements for fast lithium storage due to the large exposed surface area and the open shortened path for Li insertion/extraction. Novel graphene-like 2D spinel MnCo2O4 powders have been synthesized, which inherit the morphology and structure of specia...

  5. The relationship between termite mound CH4sub>/CO2 emissions and internal concentration ratios are species specific

    OpenAIRE

    B. Fest; S. K. Arndt; L. B. Hutley; S. J. Livesley; H. Jamali

    2012-01-01

    We investigated the relative importance of CH4 and CO2 fluxes from soil and termite mounds at four different sites in the tropical savannas of northern Australia near Darwin and assessed different methods to indirectly predict CH4 fluxes based on CO2 fluxes and internal gas concentrations. The annual flux from termite mounds and surrounding soil was dominated by CO2 with large variations among sites. On a carbon dioxide equivalent (CO2-e) basis, annual CH4 flux estimate...

  6. Spin-phonon coupling in epitaxial Sr.sub.0.6./sub.Ba.sub.0.4./sub.MnO.sub.3./sub. thin films

    Czech Academy of Sciences Publication Activity Database

    Goian, Veronica; Langenberg, E.; Marcano, N.; Bovtun, Viktor; Maurel, L.; Kempa, Martin; Prokscha, T.; Kroupa, Jan; Algarabel, P.A.; Pardo, J.A.; Kamba, Stanislav

    2017-01-01

    Roč. 95, č. 7 (2017), 1-7, č. článku 075126. ISSN 2469-9950 R&D Projects: GA MŠk(CZ) LH15122; GA ČR GA15-08389S; GA ČR GP14-14122P Institutional support: RVO:68378271 Keywords : multiferroics * phonons * IR spectroscopy * muon-spin spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  7. An Engineered Disulfide Bond Reversibly Traps the IgE-Fc3-4sub> in a Closed, Nonreceptor Binding Conformation

    Energy Technology Data Exchange (ETDEWEB)

    Wurzburg, Beth A.; Kim, Beomkyu; Tarchevskaya, Svetlana S.; Eggel, Alexander; Vogel, Monique; Jardetzky, Theodore S. [Bern; (Stanford-MED)

    2013-08-02

    IgE antibodies interact with the high affinity IgE Fc receptor, FcϵRI, and activate inflammatory pathways associated with the allergic response. The IgE-Fc region, comprising the C-terminal domains of the IgE heavy chain, binds FcϵRI and can adopt different conformations ranging from a closed form incompatible with receptor binding to an open, receptor-bound state. A number of intermediate states are also observed in different IgE-Fc crystal forms. To further explore this apparent IgE-Fc conformational flexibility and to potentially trap a closed, inactive state, we generated a series of disulfide bond mutants. Here we describe the structure and biochemical properties of an IgE-Fc mutant that is trapped in the closed, non-receptor binding state via an engineered disulfide at residue 335 (Cys-335). Reduction of the disulfide at Cys-335 restores the ability of IgE-Fc to bind to its high affinity receptor, FcϵRIα. The structure of the Cys-335 mutant shows that its conformation is within the range of previously observed, closed form IgE-Fc structures and that it retains the hydrophobic pocket found in the hinge region of the closed conformation. Locking the IgE-Fc into the closed state with the Cys-335 mutation does not affect binding of two other IgE-Fc ligands, omalizumab and DARPin E2_79, demonstrating selective blocking of the high affinity receptor binding.

  8. Optical properties and secondary phase identification in PLD-grown Cu2ZnSnS4sub> for thin-film photovoltaics

    DEFF Research Database (Denmark)

    Crovetto, Andrea; Cazzaniga, Andrea Carlo; Ettlinger, Rebecca Bolt

    2014-01-01

    -bath-deposited CdS due to its important use as a buffer layer in chalcogenide solar cells. The validity of the optical model used to derive optical constants by ellipsometry is discussed in relation to results from direct measurement methods such as UV-visible spectroscopy, Scanning Electron Microscopy (SEM...... in CZTS films independently of the chosen deposition technique. Identification by standard X-ray diffraction (XRD) of some of those phases is challenging since their diffraction peaks overlap with CZTS peaks. In this study we employ Raman spectroscopy to determine which secondary phases are incorporated...

  9. Room temperature synthesis of magnetite (Fe.sub.3−δ./sub.O.sub.4./sub.) nanoparticles by a simple reverse co-precipitation method

    Czech Academy of Sciences Publication Activity Database

    Mahmed, N.; Heczko, Oleg; Söderberg, O.; Hannula, S.-P.

    2011-01-01

    Roč. 18, č. 3 (2011), 032020/1-032020/4 ISSN 1757-8981 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferromagnetic nanoparticles * magnetite nanoparticles synthesis * maghemi Subject RIV: BM - Solid Matter Physics ; Magnetism

  10. A commensurately modulated structure of parabutlerite, Fe.sup.III./sup.SO.sub.4./sub.(OH).2H.sub.2./sub.O

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Petříček, Václav; Majzlan, J.

    2017-01-01

    Roč. 73, May (2017), s. 1-7 ISSN 2052-5206 R&D Projects: GA ČR GA17-09161S Institutional support: RVO:68378271 Keywords : parabutlerite * ferric sulfate hydrate * modulated structure * commensurate Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 2.032, year: 2016

  11. Electrocatalytic oxidation of K4sub>[Fe(CN)6] by metal-reducing bacteriumShewanella oneidensis MR-1

    DEFF Research Database (Denmark)

    Zheng, Zhiyong; Xiao, Yong; Wu, Ranran

    2017-01-01

    of an inorganic redox compound K4[Fe(CN)6]. A pair of symmetric peak in the cyclic voltammetry (CV) of K4[Fe(CN)6] were found on bare glassy carbon electrode (GCE). Surprisingly, when the GCE is coated MR-1, the anodic peak almost sustained at the same level; while the cathodic peak apparently shrunk. We...

  12. On the triviality of lambdaphi4sub(d) theories and the approach to the critical point in d >(>=) 4 dimensions

    International Nuclear Information System (INIS)

    Froehlich, J.

    1982-01-01

    It is shown that one- and two-component lambda vertical stroke phi vertical stroke 4 theories and non-linear sigma-models in five or more dimensions approach free or generalized free fields in the continuum (scaling) limit, and that in four dimensions the same result holds, provided there is infinite field strength renormalization, as expected. Some critical exponents for the lattice theories in five or more dimensions are shown to be mean field. The main tools are Symanzik's polymer representation of scalar field theories and correlation inequalities. (orig.)

  13. A study of oleic acid-based hydrothermal preparation of CoFe.sub.2./sub.O.sub.4./sub. nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Repko, A.; Nižňanský, D.; Poltierová Vejpravová, Jana

    2011-01-01

    Roč. 13, č. 10 (2011), s. 5021-5031 ISSN 1388-0764 Institutional research plan: CEZ:AV0Z10100520 Keywords : cobalt ferrite * hydrothermal synthesis * magnetic particles * sperparamagnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.287, year: 2011

  14. Pressure enhancement of the giant magnetocaloric effect in LaFe.sub.11.6./sub.Si.sub.1.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Sun, Y.; Arnold, Zdeněk; Kamarád, Jiří; Wang, G.-J.; Shen, B.G.; Cheng, Z.-H.

    2006-01-01

    Roč. 89, č. 17 (2006), 172513/1-172513/3 ISSN 0003-6951 R&D Projects: GA ČR GA202/06/0178 Institutional research plan: CEZ:AV0Z10100521 Keywords : intermetallic compounds * magnetocaloric effect * pressure effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.977, year: 2006

  15. On-line induced absorption measurement on PbWO.sub.4./sub., YAlO.sub.3./sub.:Ce and CsI scintillating crystals

    Czech Academy of Sciences Publication Activity Database

    Šulc, M.; Nikl, Martin; Vognar, M.; Blažek, K.; Nejezchleb, K.; Boháček, Pavel; Nitsch, Karel; Kobayashi, M.; Usuki, Y.; Shen, D.

    2004-01-01

    Roč. 38, - (2004), s. 393-396 ISSN 1350-4487 R&D Projects: GA ČR(CZ) GA202/01/0753 Grant - others:NATO SfP(XX) 973510-Scintillators Institutional research plan: CEZ:AV0Z1010914 Keywords : radiation damage * PbWO 4 scintillator * YAlO 3 :Ce * CsI Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.664, year: 2004

  16. Infrared study of crystal-field excitations in Nd.sub.2-x./sub.CE.sub.x./sub.CuO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Jandl, S.; Richard, P.; Poirier, M.; Nekvasil, Vladimír; Nugroho, A. A.; Menovsky, A. A.; Zhigunov, D. I.; Barilo, S. N.; Shiryaev, S. V.

    2000-01-01

    Roč. 61, č. 19 (2000), s. 12882-12887 ISSN 0163-1829 R&D Projects: GA ČR GA202/99/0184; GA ČR GA202/00/1602 Institutional research plan: CEZ:AV0Z1010914 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.065, year: 2000

  17. Testing the applicability of neural networks as a gap-filling method using CH4sub> flux data from high latitude wetlands

    DEFF Research Database (Denmark)

    Dengel, S.; Zona, D.; Sachs, T.

    2013-01-01

    included representing the seasonal change and time of day. High Pearson correlation coefficients (r) of up to 0.97 achieved in the final analysis are indicative for the high performance of neural networks and their applicability as a gap-filling method for CH4 flux data time series. This novel approach...

  18. The LiBH4sub>-LiI Solid Solution as an Electrolyte in an All-Solid-State Battery

    DEFF Research Database (Denmark)

    Sveinbjörnsson, Dadi Þorsteinn; Christiansen, Ane Sælland; Viskinde, Rasmus

    2014-01-01

    The charge and discharge performance of an all-solid-state lithium battery with the LiBH4-LiI solid solution as an electrolyte is reported. Lithium titanate (Li4Ti5O12) was used as the positive electrode and lithium metal as the negative electrode. The performance of the all-solid-state cell...

  19. Magnetic anisotropy and reduced neodymium magnetic moments in Nd.sub.3./sub.Ru.sub.4./sub.Al.sub.12./sub..

    Czech Academy of Sciences Publication Activity Database

    Gorbunov, Denis; Henriques, Margarida Isabel Sousa; Andreev, Alexander V.; Eigner, Václav; Gukasov, A.; Fabrèges, X.; Skourski, Y.; Petříček, Václav; Wosnitza, J.

    2016-01-01

    Roč. 93, č. 2 (2016), 1-11, č. článku 024407. ISSN 1098-0121 R&D Projects: GA ČR GA16-03593S; GA ČR GA15-12653S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : rare- earth intermetallics * ferromagnetism * magnetic anisotropy * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  20. Identification of a transport mechanism for NH4sub>+ in the symbiosome membrane of pea root nodules

    DEFF Research Database (Denmark)

    Mouritzen, P.; Rosendahl, L.

    1997-01-01

    Symbiosome membrane vesicles, facing bacteroid-side-out, were purified from pea (Pisum sativum L.) root nodules and used to study NH4+ transport across the membrane by recording vesicle uptake of the NH4+ analog [C-14]methylamine (MA). Membrane potentials (Delta psi) were imposed on the vesicles...... of the pH gradient indicated that uptake of MA was not related to the presence of a pH gradient. The MA-uptake mechanism appeared to have a large capacity for transport, and saturation was not observed at MA concentrations in the range of 25 mu M to 150 mM. MA uptake could be inhibited by NH4+, which...... indicates that NH4+ and MA compete for the same uptake mechanism. The observed fluxes suggest that voltage-driven channels are operating in the wsymbiosome membrane and that these are capable of transporting NH4+ at high rates from the bacteroid side of the membrane to the plant cytosol. The p...

  1. Modulation in Tl.sub.2./sub.SeO.sub.4./sub. in the temperature range 298-90 K

    Czech Academy of Sciences Publication Activity Database

    Fábry, Jan; Kopecký, Miloš; Kub, Jiří

    2010-01-01

    Roč. 83, 10-11 (2010), s. 980-984 ISSN 0141-1594 R&D Projects: GA AV ČR IAA100100915 Grant - others:FP7/2007-2013 EC(XE) 226716 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100523 Keywords : phase transitions * A2BX4 compounds * beta-K 2 SO 4 * diffraction * synchrotrone radiation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.006, year: 2010

  2. Template-Free Synthesis of Hollow-Structured Co 3 O 4sub> Nanoparticles as High-Performance Anodes for Lithium-Ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Deli; Yu, Yingchao; He, Huan; Wang, Jie; Zhou, Weidong; Abruña, Hector D.

    2015-02-24

    We have developed a template-free procedure to synthesize Co3O4 hollow-structured nanoparticles on a Vulcan XC-72 carbon support. The material was synthesized via an impregnation–reduction method followed by air oxidation. In contrast to spherical particles, the hollow-structured Co3O4 nanoparticles exhibited excellent lithium storage capacity, rate capability, and cycling stability when used as the anode material in lithium-ion batteries. Electrochemical testing showed that the hollow-structured Co3O4 particles delivered a stable reversible capacity of about 880 mAh/g (near the theoretical capacity of 890 mAh/g) at a current density of 50 mA/g after 50 cycles. The superior electrochemical performance is attributed to its unique hollow structure, which combines nano- and microscale properties that facilitate electron transfer and enhance structural robustness.

  3. Quantum and thermal ionic motion, oxygen isotope effect, and superexchange distribution in La2CuO4sub>

    DEFF Research Database (Denmark)

    Haefliger, P. S.; Gerber, S.; Pramod, R.

    2014-01-01

    We study the zero-point and thermal ionic motion in La2CuO4 by means of high-resolution neutron-diffraction experiments. Our results demonstrate anisotropic motion of O and, to a lesser extent, Cu ions, both consistent with the structure of coupled CuO6 octahedra, and quantify the relative effect...... in J values that are subject to significant (8-12%) isotope effects. We demonstrate that this motional broadening of J can have substantial effects on certain electronic and magnetic properties in cuprates.......We study the zero-point and thermal ionic motion in La2CuO4 by means of high-resolution neutron-diffraction experiments. Our results demonstrate anisotropic motion of O and, to a lesser extent, Cu ions, both consistent with the structure of coupled CuO6 octahedra, and quantify the relative effects...

  4. Magnetization of R.sub.2./sub.Fe.sub.13.6./sub.Si.sub.3.4./sub. (R = U, Lu) single crystals under pressure

    Czech Academy of Sciences Publication Activity Database

    Andreev, Alexander V.; Kolomiets, A. V.; Goto, T.

    2005-01-01

    Roč. 387, - (2005), s. 60-64 ISSN 0925-8388 R&D Projects: GA ČR(CZ) GA202/03/0550; GA MŠk(CZ) ME 680 Keywords : uranium intermetallics * R 2 T 17 * magnetic anisotropy * pressure effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.370, year: 2005

  5. Pressure-induced three-dimensional ferromagnetic correlations in the giant magnetocaloric compound Gd.sub.5./sub.Ge.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Magen, C.; Arnold, Zdeněk; Morellon, L.; Skorokhod, Yuriy; Algarabel, P. A.; Ibarra, M. R.; Kamarád, Jiří

    2003-01-01

    Roč. 91, č. 20 (2003), s. 207202-1 - 207202-4 ISSN 0031-9007 R&D Projects: GA ČR GA106/02/0943 Grant - others:CICYT(ES) MAT2000-1756 Institutional research plan: CEZ:AV0Z1010914 Keywords : magneto-caloric compounds * pressure effect * magnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.035, year: 2003

  6. Pressure effects in the giant magnetocaloric compounds Gd.sub.5./sub.(Si.sub.x./sub.Ge.sub.1 - x./sub.).sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Morellon, L.; Arnold, Zdeněk; Algarabel, P. A.; Magen, C.; Ibarra, M. R.; Skorokhod, Yuriy

    2004-01-01

    Roč. 16, - (2004), s. 1623-1630 ISSN 0953-8984 R&D Projects: GA ČR GA106/02/0943 Grant - others:CICYT(ES) MAT2000-1756 Institutional research plan: CEZ:AV0Z1010914 Keywords : magnetocaloric effect * high pressure * Gd 5 Si 4-x Ge x * magnetic transitions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.049, year: 2004

  7. Electronic properties of a distorted kagome lattice antiferromagnet Dy.sub.3./sub.Ru.sub.4./sub.Al.sub.12./sub..

    Czech Academy of Sciences Publication Activity Database

    Gorbunov, Denis; Henriques, Margarida Isabel Sousa; Andreev, Alexander V.; Gukasov, A.; Petříček, Václav; Baranov, N. V.; Skourski, Y.; Eigner, Václav; Paukov, M.; Prokleška, J.; Gonçalves, A.P.

    2014-01-01

    Roč. 90, č. 9 (2014), "094405-1"-"094405-12" ISSN 1098-0121 R&D Projects: GA ČR GAP204/12/0150; GA ČR(CZ) GA14-03276S Grant - others:AVČR(CZ) M100101203 Institutional support: RVO:68378271 Keywords : rare-earth intermetallics * antiferromagnetism * kagome lattice * metamagnetic transition Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  8. Single magnetic chirality in the magnetoelectric NdFe.sub.3./sub.(.sup.11./sup.BO.sub.3./sub.).sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Janoschek, M.; Fischer, P.; Schefer, J.; Roessli, B.; Pomjakushin, V.; Mews, M.; Petříček, Václav; Petrakovskii, G.; Bezmaternikh, L.

    2010-01-01

    Roč. 81, č. 9 (2010), 094429/1-094429/13 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : magnetic structure * neutron diffraction * phase transition Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.772, year: 2010

  9. Toxicidad aguda del sulfato de cobre (CuSO4sub>) en alevinos de cachama blanca (Piaractus brachypomus) bajo condiciones de aguas blandas

    DEFF Research Database (Denmark)

    Velasco-Santamaría, Yohana M.; Gómez-Manrique, Wilson; Calderón-Bernal, Juan M.

    2006-01-01

    of 55 and 90% respectively. Likewise, these groups presented a moderate increase in mucus  production at branchial level accompanied by clinical disnea. Interlamellar hyperplasia and severe lamellar fusion, as well as gill congestion, were observed microscopically in those exposed to 4.00 ppm...

  10. Structure-dependent vibrational dynamics of Mg(BH 4sub> ) 2 polymorphs probed with neutron vibrational spectroscopy and first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Dimitrievska, Mirjana; White, James L.; Zhou, Wei; Stavila, Vitalie; Klebanoff, Leonard E.; Udovic, Terrence J.

    2016-01-01

    The structure-dependent vibrational properties of different Mg(BH4)2 polymorphs (..alpha.., ..beta.., ..gamma.., and ..delta.. phases) were investigated with a combination of neutron vibrational spectroscopy (NVS) measurements and density functional theory (DFT) calculations, with emphasis placed on the effects of the local structure and orientation of the BH4- anions. DFT simulations closely match the neutron vibrational spectra. The main bands in the low-energy region (20-80 meV) are associated with the BH4- librational modes. The features in the intermediate energy region (80-120 meV) are attributed to overtones and combination bands arising from the lower-energy modes. The features in the high-energy region (120-200 meV) correspond to the BH4- symmetric and asymmetric bending vibrations, of which four peaks located at 140, 142, 160, and 172 meV are especially intense. There are noticeable intensity distribution variations in the vibrational bands for different polymorphs. This is explained by the differences in the spatial distribution of BH4- anions within various structures. An example of the possible identification of products after the hydrogenation of MgB2, using NVS measurements, is presented. These results provide fundamental insights of benefit to researchers currently studying these promising hydrogen-storage materials.

  11. Faraday effect in cubic and tetragonal copper ferrite CuFe.sub.2./sub.O.sub.4./sub. films—Comparative studies

    Czech Academy of Sciences Publication Activity Database

    Kučera, M.; Kolinský, V.; Višňovský, Š.; Chvostová, Dagmar; Venkataramani, N.; Prasad, S.; Kulkarni, P.D.; Krishnan, R.

    2007-01-01

    Roč. 316, - (2007), e688-e691 ISSN 0304-8853 Institutional research plan: CEZ:AV0Z10100522 Keywords : Faraday rotation * magneto-optic * copper ferrite * CuFe 2 O 4 * thin film Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.704, year: 2007

  12. Intermediate Temperature Fuel Cell Using CsH2PO4sub>/ZrO2-Based Composite Electrolytes

    DEFF Research Database (Denmark)

    Jensen, Annemette Hindhede; Li, Qingfeng; Christensen, Erik

    2014-01-01

    Proton conductors operating at intermediate temperatures are receiving significant attention due to their advantages over conventionally used materials in proton exchange membrane fuel cells. CsH2PO4 has proven to be proton conducting above 230°C, however within a narrow temperature range of the ...... to 280°C under low atmospheric humidification. Higher open circuit voltage and stability in the extended temperature range were achieved with composite electrolytes with a CsH2PO4 to ZrO2 molar ratio of 2....

  13. Design and performance of a Nafion dryer for continuous operation at CO2 and CH4sub> air monitoring sites

    OpenAIRE

    W. Paplawsky; R. F. Weiss; R. F. Keeling; L. R. Welp; S. Heckman

    2012-01-01

    In preparation for routine deployment in a network of greenhouse gas monitoring stations, we have designed and tested a simple method for drying ambient air to near or below 0.2% (2000 ppm) mole fraction H2O using a Nafion dryer. The inlet system was designed for use with cavity ring-down spectrometer (CRDS) analyzers such as the Picarro model G2301 that measure H2O in addition to their principal analytes, in this case CO2 and CH4. These analyzers report dry-gas mixing ratio...

  14. The anisotropic Kerr nonlinear refractive index of the beta-barium borate (β-BaB2O4sub>) nonlinear crystal

    DEFF Research Database (Denmark)

    Bache, Morten; Guo, Hairun; Zhou, Binbin

    2013-01-01

    We study the anisotropic nature of the Kerr nonlinear response in a beta-barium borate (β-BaB2O4, BBO) nonlinear crystal. The focus is on determining the relevant χ(3) cubic tensor components that affect interaction of type I cascaded second-harmonic generation. Various experiments in the literat...... a complete list that we propose as reference of the four major cubic tensor components in BBO. We finally discuss the impact of using the cubic anisotropic response in ultrafast cascading experiments in BBO.......We study the anisotropic nature of the Kerr nonlinear response in a beta-barium borate (β-BaB2O4, BBO) nonlinear crystal. The focus is on determining the relevant χ(3) cubic tensor components that affect interaction of type I cascaded second-harmonic generation. Various experiments...... in the literature are analyzed and we correct the data from some of the experiments for contributions from cascading as well as for updated material parameters. We also perform an additional experimental measurement of the Kerr nonlinear tensor component responsible for self-phase modulation in cascading, and we...

  15. Limits of agricultural greenhouse gas calculators to predict soil N2O and CH4sub> fluxes in tropical agriculture

    DEFF Research Database (Denmark)

    Richards, Meryl; Metzel, Ruth; Chirinda, Ngonidzashe

    2016-01-01

    measurements from Africa, Asia, and Latin America. Estimates based on GHG calculators were greater than measurements in 70% of the cases, exceeding twice the measured flux nearly half the time. For 41% of the comparisons, calculators incorrectly predicted whether emissions would increase or decrease...

  16. Highly Enhanced Photoelectrochemical Water Oxidation Efficiency Based on Triadic Quantum Dot/Layered Double Hydroxide/BiVO 4sub> Photoanodes

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Yanqun; Wang, Ruirui; Yang, Ye; Yan, Dongpeng; Xiang, Xu

    2016-08-03

    The water oxidation half-reaction is considered to be a bottleneck for achieving highly efficient solar-driven water splitting due to its multiproton-coupled four-electron process and sluggish kinetics. Herein, a triadic photoanode consisting of dual-sized CdTe quantum dots (QDs), Co-based layered double hydroxide (LDH) nanosheets, and BiVO4 particles, that is, QD@LDH@BiVO4, was designed. Two sets of consecutive Type-II band alignments were constructed to improve photogenerated electron-hole separation in the triadic structure. The efficient charge separation resulted in a 2-fold enhancement of the photocurrent of the QD@LDH@BiVO4 photoanode. A significantly enhanced oxidation efficiency reaching above 90% in the low bias region (i.e., E < 0.8 V vs RHE) could be critical in determining the overall performance of a complete photoelectrochemical cell. The faradaic efficiency for water oxidation was almost 90%. The conduction band energy of QDs is -1.0 V more negative than that of LDH, favorable for the electron injection to LDH and enabling a more efficient hole separation. The enhanced photon-to-current conversion efficiency and improved water oxidation efficiency of the triadic structure may result from the non-negligible contribution of hot electrons or holes generated in QDs. Such a band-matching and multidimensional triadic architecture could be a promising strategy for achieving high-efficiency photoanodes by sufficiently utilizing and maximizing the functionalities of QDs.

  17. A PbWO4sub>-based Neutral Particle Spectrometer in Hall C at 12 GeV JLab

    Energy Technology Data Exchange (ETDEWEB)

    Horn, Tanja [Catholic University of America , Washington, DC

    2015-02-01

    The Neutral Particle Spectrometer is a standalone electromagnetic calorimeter capable of detecting high energy photons from, for instance, DVCS or π0 decay with good energy and spatial resolution in a high rate environment. It can be used together with the Hall C high-momentum spectrometers for a suite of experiments with the underlying scientific objective of studying quark dynamics through exclusive and semi-inclusive reactions.

  18. Neptunyl (NpO2+) interaction with green rust, GRNa,SO4 sub>

    DEFF Research Database (Denmark)

    Christiansen, Bo C.; Geckeis, Horst; Marquardt, Christian

    2011-01-01

    Green rust (GR), a member of the Fe(II),Fe(III) layered double hydroxide mineral family, forms in groundwater and during steel corrosion. It has high surface area and is very reactive, especially for redox-sensitive elements such as some actinides. During neutron irradiation of nuclear fuel...... in a reactor, 237Np develops. Although the abundance of Np in spent nuclear fuel is only about 0.05% by mass, it has a very long half life, 2.14 × 106 years, so there is concern about its mobility in the distant future, when radioactive storage sites might be expected to degrade. Under oxidizing conditions...... the final redox speciation of Np, hence its potential mobility, and to characterise changes in the green rust. The GRNa,SO4 sorbed and reduced NpO2+ within minutes. Reduced Np(IV) was primarily found as precipitated nanoparticles at the edges of the GRNa,SO4 crystal platelets. The position of the particles...

  19. Influence of Annealing on the optical properties of PbWO.sub.4./sub. single crystals grown by the Bridgman method

    Czech Academy of Sciences Publication Activity Database

    Senguttuvan, N.; Ishii, M.; Tanji, K.; Kittaka, T.; Usuki, Y.; Kobayashi, M.; Nikl, Martin

    2000-01-01

    Roč. 39, 9A (2000), s. 5134-5138 ISSN 0021-4922 R&D Projects: GA MŠk ME 159 Institutional research plan: CEZ:AV0Z1010914 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.157, year: 2000

  20. Anisotropy and Strong-Coupling Effects on the Collective Mode Spectrum of Chiral Superconductors: Application to Sr2RuO4sub>

    Directory of Open Access Journals (Sweden)

    James Avery Sauls

    2015-06-01

    Full Text Available Recent theories of Sr2RuO4 based on the interplay of strong interactions, spin-orbit coupling and multi-band anisotropy predict chiral or helical ground states with strong anisotropy of the pairing states, with deep minima in the excitation gap, as well as strong phase anisotropy for the chiral ground state. We develop time-dependent mean field theory to calculate the Bosonic spectrum for the class of 2D chiral superconductors spanning 3He-A to chiral superconductors with strong anisotropy. Chiral superconductors support a pair of massive Bosonic excitations of the time-reversed pairs labeled by their parity under charge conjugation. These modes are degenerate for 2D 3He-A. Crystal field anisotropy lifts the degeneracy. Strong anisotropy also leads to low-lying Fermions, and thus to channels for the decay of the Bosonic modes. Selection rules and phase space considerations lead to large asymmetries in the lifetimes and hybridization of the Bosonic modes with the continuum of un-bound Fermion pairs. We also highlight results for the excitation of the Bosonic modes by microwave radiation that provide clear signatures of the Bosonic modes of an anisotropic chiral ground state.

  1. Lattice modes and the Jahn-Teller ferroelectric transition of GaV.sub.4./sub.S.sub.8./sub.

    Czech Academy of Sciences Publication Activity Database

    Hlinka, Jiří; Borodavka, Fedir; Rafalovskyi, Iegor; Dočekalová, Zuzana; Pokorný, Jan; Gregora, Ivan; Tsurkan, V.; Nakamura, H.; Mayr, F.; Kuntscher, C.A.; Loidl, A.; Bordács, S.; Szaller, D.; Lee, H.-J.; Lee, J.H.; Kézsmárki, I.

    2016-01-01

    Roč. 94, č. 6 (2016), 1-4, č. článku 060104. ISSN 2469-9950 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : augmented-wave method * crystals * phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  2. Degradation of H3PO4sub>/PBI High Temperature Polymer Electrolyte Membrane Fuel Cell under Stressed Operating Conditions

    DEFF Research Database (Denmark)

    Zhou, Fan

    performance loss caused by CO poisoning can be alleviated by the presence of water vapor. The CO oxidation via the water gas shift reaction is the main reason for the mitigated CO poisoning with the presence of water vapor. Meanwhile, the CO poisoning can deteriorate with the presence of CO2, although the CO2...... for HT-PEM fuel cell based micro-CHP units for households, the daily startup/shutdown operation is necessary. Moreover, the faults in the H2 supply system or in controlling the reformer can cause the H2 starvation of the HT-PEM fuel cell. The effects of these operating conditions to the degradation...... results in the degradation in cell performance of the HT-PEM fuel cell by increasing the charge transfer resistance and mass transfer resistance. The CO with volume fraction of 1% – 3% can cause significant performance loss to the HT-PEM fuel cell at the operating temperature of 150 oC. The cell...

  3. Coexistence of ferromagnetism and antiferromagnetism in the L.sub.0.08./sub.Ca.sub.1.92./sub.MnO.sub.4./sub. series

    Czech Academy of Sciences Publication Activity Database

    Autret, C.; Martin, C.; Retoux, R.; Maignan, A.; Raveau, B.; André, G.; Bourée, F.; Jirák, Zdeněk

    2004-01-01

    Roč. 284, - (2004), s. 172-180 ISSN 0304-8853 EU Projects: European Commission(XE) HPRN-CT-2002-00293 - SCOOTMO Institutional research plan: CEZ:AV0Z1010914 Keywords : manganites * Ruddlesden popper phases * phase separation * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.031, year: 2004

  4. Multiple charge-density waves in R.sub.5./sub.Ir.sub.4 ./sub.Si.sub.10./sub. (R=Ho, Er, Tm, and Lu)

    Czech Academy of Sciences Publication Activity Database

    van Smaalen, S.; Shaz, M.; Palatinus, Lukáš; Daniels, P.; Galli, F.; Nieuwenhuys, G.J.; Mydosh, J.A.

    2004-01-01

    Roč. 69, č. 1 (2004), 014103/1-014103/11 ISSN 0163-1829 Grant - others:DFG a FCI(DE) XX Institutional research plan: CEZ:AV0Z1010914 Keywords : charge-density wave * rare-earth silicide * incommensurate phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.075, year: 2004

  5. Heterogeneous Two-Phase Pillars in Epitaxial NiFe 2 O 4sub> -LaFeO 3 Nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Comes, Ryan B. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA; Department of Physics, Auburn University, Auburn AL 36849 USA; Perea, Daniel E. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99352 USA; Spurgeon, Steven R. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA

    2017-07-10

    Self-assembled epitaxial oxide nanocomposites have been explored for a wide range of applications, including multiferroic and magnetoelectric properties, plasmonics, and catalysis. These so-called “vertically aligned nanocomposites” form spontaneously during the deposition process when segregation into two phases is energetically favorable as compared to a solid solution. However, there has been surprisingly little work understanding the driving forces that govern the synthesis of these materials, which can include point defect energetics, surface diffusion, and interfacial energies. To explore these factors, La-Ni-Fe-O films have been synthesized by molecular beam epitaxy and it is shown that these phase segregate into spinel-perovskite nanocomposites. Using complementary scanning transmission electron microscopy and atom-probe tomography, the elemental composition of each phase is examined and found that Ni ions are exclusively found in the spinel phase. From correlative analysis, a model for the relative favorability of the Ni2+ and Ni3+ valences under the growth conditions is developed. It is shown that multidimensional characterization techniques provide previously unobserved insight into the growth process and complex driving forces for phase segregation.

  6. Magnetic, thermal and transport properties of Tb.sub.3./sub.Ru.sub.4./sub.Al.sub.12./sub..

    Czech Academy of Sciences Publication Activity Database

    Gorbunov, Denis; Henriques, Margarida Isabel Sousa; Andreev, Alexander V.; Skourski, Y.; Dušek, Michal

    2015-01-01

    Roč. 634, Jun (2015), s. 115-121 ISSN 0925-8388 R&D Projects: GA ČR GAP204/12/0150; GA ČR(CZ) GAP204/11/0809 Grant - others:AVČR(CZ) M100101203 Institutional support: RVO:68378271 Keywords : antiferromagnet * magnetic anisotropy * field-induced transition * magnetoresistance Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.014, year: 2015

  7. The crystal structure of baliczunicite, Bi2O(SO4sub>)2, a new natural bismuth oxide sulfate

    DEFF Research Database (Denmark)

    Pinto, Daniela; Garavelli, Anna; Balic Zunic, Tonci

    2015-01-01

    parallel to the (100) plane. The planes are stacked atom on atom such that Bi always overlays S and vice versa. This structural feature is shared with the known structure of the high-temperature polymorph of the same compound, stable at T >535oC. However, the sequences of Bi and S atoms in the two...

  8. Inter-diffusion between Co3O4sub> coatings and the oxide scale on Fe-22Cr

    DEFF Research Database (Denmark)

    Hansson, Anette Nørgaard; Linderoth, Søren; Mogensen, Mogens Bjerg

    2007-01-01

    , electron microscopy, and energy dispersive X-ray spectroscopy. Cr2O3 developed in-between the Co3O4 coating and the alloy, whilst alloying elements of the substrate were incorporated in the coating, regardless of the deposition method. The coatings reduced the growth rate of the Cr2O3 layer as well...

  9. Influence of Ni impurities on the thermoelectric properties of Ca-partially filled skutterudites Ca.sub.x./sub.Co.sub.4./sub.Sb.sub.12./sub..

    Czech Academy of Sciences Publication Activity Database

    Puyet, M.; Lenoir, B.; Dauscher, A.; Candolfi, C.; Hejtmánek, Jiří; Stiewe, C.; Müller, E.

    2012-01-01

    Roč. 101, č. 22 (2012), "222105-1"-"222105-4" ISSN 0003-6951 Institutional research plan: CEZ:AV0Z10100521 Keywords : performance * barium Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.794, year: 2012 http://apl.aip.org/

  10. Luminescent CsPbI.sub.3./sub. and Cs.sub.4./sub.PbI.sub.6./sub. aggregates in annealed CsI:Pb crystals

    Czech Academy of Sciences Publication Activity Database

    Babin, V.; Fabeni, P.; Nikl, Martin; Nitsch, Karel; Pazzi, G.P.; Zazubovich, S.

    2001-01-01

    Roč. 226, č. 2 (2001), s. 419-428 ISSN 0370-1972 Institutional research plan: CEZ:AV0Z1010914 Keywords : CsPbI 3 * Cs 4 PbI 6 * nanoaggregates * luminescence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.873, year: 2001

  11. DFT and synchrotron radiation study of Eu.sup.2+./sup. doped BaAl.sub.2./sub.O.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Brito, H.F.; Felinto, M.C.F.C.; Hölsä, J.; Laamanen, T.; Lastusaari, M.; Malkamäki, M.; Novák, Pavel; Rodrigues, L.C.V.; Stefani, R.

    2012-01-01

    Roč. 2, č. 4 (2012), s. 420-431 ISSN 2159-3930 Institutional research plan: CEZ:AV0Z10100521 Keywords : fluorescent and luminescent materials * optical storage materials * rare- earth -doped materials * luminiscence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.616, year: 2012

  12. Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe.sub.4./sub.Si.sub.3./sub..

    Czech Academy of Sciences Publication Activity Database

    Gourdon, O.; Gottschlich, G.; Persson, J.; de la Cruz, C.; Petříček, Václav; McGuire, M.A.; Bruckel, T.

    2014-01-01

    Roč. 216, AUG (2014), s. 56-64 ISSN 0022-4596 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : magneto caloric effect materials * intermetallic * silicide * magnetism * neutron diffraction * density functional theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.133, year: 2014

  13. A Physically-Based Equivalent Circuit Model for the Impedance of a LiFePO4sub>/Graphite 26650 Cylindrical Cell

    DEFF Research Database (Denmark)

    Scipioni, Roberto; Jørgensen, Peter Stanley; Graves, Christopher R.

    2017-01-01

    In this work an Equivalent Circuit Model (ECM) is developed and used to model impedance spectra measured on a commercial 26650 LiFePO4/Graphite cylindrical cell. The ECM is based on measurements and modeling of impedance spectra recorded separately on cathode (LiFePO4) and anode (Graphite) samples...

  14. Low-voltage FIB/SEM Tomography for 3D Microstructure Evolution of LiFePO4sub>/C Electrode

    DEFF Research Database (Denmark)

    Scipioni, Roberto; Jørgensen, Peter Stanley; Ngo, Duc-The

    2015-01-01

    This work presents an investigation of the degradation mechanisms that occur in LiFePO4/C battery electrodes during charge/discharge cycling. Impedance spectra were measured on a fresh electrode and an electrode aged by cycling. The spectra were modeled with an equivalent circuit which indicates...

  15. Correlation of structural and magnetic properties of Fe.sub.3./sub.O.sub.4./sub. nanoparticles with their calorimetric and magnetorheological performance

    Czech Academy of Sciences Publication Activity Database

    Sedlačík, M.; Moučka, R.; Kozáková, Z.; Kazantseva, N. E.; Pavlínek, V.; Kuřitka, I.; Kaman, Ondřej; Peer, Petra

    2013-01-01

    Roč. 326, january (2013), s. 7-13 ISSN 0304-8853 Grant - others:UTB Zlín(CZ) IGA/25/FT/10/D; GA MŠk(CZ) ED2.1.00/03.0111 Institutional support: RVO:67985874 ; RVO:68378271 Keywords : iron oxide * nanoparticle * ferrofluid * hyperthermia * embolization * microwave synthesis * magnetorheology Subject RIV: BK - Fluid Dynamics; BM - Solid Matter Physics ; Magnetism (FZU-D) Impact factor: 2.002, year: 2013

  16. Luminescence and photo-thermally stimulated defect creation processes in PbWO.sub.4./sub.:Mo,La,Y (PWO III) crystals

    Czech Academy of Sciences Publication Activity Database

    Auffray, E.; Korjik, M.; Laguta, Valentyn; Zazubovich, S.

    2015-01-01

    Roč. 252, č. 10 (2015), s. 2259-2267 ISSN 0370-1972 Institutional support: RVO:68378271 Keywords : defects * ESR * PbWO4:Mo * La * Y crystals * photoluminescence * thermoluminescence Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.522, year: 2015

  17. Industrial application of fluidized bed combustion. Phase I, task 4: sub-scale unit testing and data analysis. Volume I. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Goodstine, S.L.; Accortt, J.I.; Harris, R.D.; Kantersaria, P.P.; Matthews, F.T.; Jones, B.C.; Jukkola, G.D.

    1979-12-01

    Combustion Engineering, under contract with the Department of Energy, has developed, designed, and is constructing a 50,000 lbs steam/hr Industrial FBC Demonstration Plant. The plant will provide steam for space heating at the Great Lakes Naval Base in North Chicago, Illinois. Its operation will enable industry to objectively appraise the performance, reliability, and economics of FBC technology. A hot sub-scale unit (SSU), simulating the operating conditions of the demonstration plant, has been constructed and operated at Combustion Engineering's Kreisinger Development Laboratory in Windsor, Connecticut. The SSU facility has served as a valuable developmental tool in establishing the performance characteristics of the FBC process and equipment as used in the larger Demonstration Plant. Experience gained during more than 2000 hours of operation, including the analytical results derived from an extensive test program of 1500 hours operation, has defined problems and identified solutions in engineering the larger FBC Demonstration Plant. This report presents documentation of the results of the SSU test program.

  18. Structural and magnetic properties of Zn.sub.x./sub.Mn.sub.3-x./sub.O.sub.4./sub. spinels

    Czech Academy of Sciences Publication Activity Database

    Nádherný, L.; Maryško, Miroslav; Sedmidubský, D.; Martin, C.

    2016-01-01

    Roč. 413, Sep (2016), s. 89-96 ISSN 0304-8853 Institutional support: RVO:68378271 Keywords : Zn-Mn-O spinels * solid-state reaction * ferrimagnetic clusters * ZnO Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.630, year: 2016

  19. Process control by optical emission spectroscopy during growth of a-C:H from a CH4sub> plasma by plasma-enhanced chemical vapour deposition

    DEFF Research Database (Denmark)

    Barholm-Hansen, C; Bentzon, MD; Vigild, Martin Etchells

    1994-01-01

    During the growth of a-C:H thin films for tribological applications, the characteristic optical emission from a CH4 plasma was used to estimate growth conditions such as the degree of dissociation of the feed gas, the deposition rate and the presence of impurities. Films were fabricated with vari...

  20. Impact of CT attenuation correction method on quantitative respiratory-correlated (4D) PET/CT imaging

    Energy Technology Data Exchange (ETDEWEB)

    Nyflot, Matthew J., E-mail: nyflot@uw.edu [Department of Radiation Oncology, University of Washington, Seattle, Washington 98195-6043 (United States); Lee, Tzu-Cheng [Department of Bioengineering, University of Washington, Seattle, Washington 98195-6043 (United States); Alessio, Adam M.; Kinahan, Paul E. [Department of Radiology, University of Washington, Seattle, Washington 98195-6043 (United States); Wollenweber, Scott D.; Stearns, Charles W. [GE Healthcare, Waukesha, Wisconsin 53188 (United States); Bowen, Stephen R. [Department of Radiation Oncology, University of Washington, Seattle, Washington 98195-6043 and Department of Radiology, University of Washington, Seattle, Washington 98195-6043 (United States)

    2015-01-15

    Purpose: Respiratory-correlated positron emission tomography (PET/CT) 4D PET/CT is used to mitigate errors from respiratory motion; however, the optimal CT attenuation correction (CTAC) method for 4D PET/CT is unknown. The authors performed a phantom study to evaluate the quantitative performance of CTAC methods for 4D PET/CT in the ground truth setting. Methods: A programmable respiratory motion phantom with a custom movable insert designed to emulate a lung lesion and lung tissue was used for this study. The insert was driven by one of five waveforms: two sinusoidal waveforms or three patient-specific respiratory waveforms. 3DPET and 4DPET images of the phantom under motion were acquired and reconstructed with six CTAC methods: helical breath-hold (3DHEL), helical free-breathing (3DMOT), 4D phase-averaged (4DAVG), 4D maximum intensity projection (4DMIP), 4D phase-matched (4DMATCH), and 4D end-exhale (4DEXH) CTAC. Recovery of SUV{sub max}, SUV{sub mean}, SUV{sub peak}, and segmented tumor volume was evaluated as RC{sub max}, RC{sub mean}, RC{sub peak}, and RC{sub vol}, representing percent difference relative to the static ground truth case. Paired Wilcoxon tests and Kruskal–Wallis ANOVA were used to test for significant differences. Results: For 4DPET imaging, the maximum intensity projection CTAC produced significantly more accurate recovery coefficients than all other CTAC methods (p < 0.0001 over all metrics). Over all motion waveforms, ratios of 4DMIP CTAC recovery were 0.2 ± 5.4, −1.8 ± 6.5, −3.2 ± 5.0, and 3.0 ± 5.9 for RC{sub max}, RC{sub peak}, RC{sub mean}, and RC{sub vol}. In comparison, recovery coefficients for phase-matched CTAC were −8.4 ± 5.3, −10.5 ± 6.2, −7.6 ± 5.0, and −13.0 ± 7.7 for RC{sub max}, RC{sub peak}, RC{sub mean}, and RC{sub vol}. When testing differences between phases over all CTAC methods and waveforms, end-exhale phases were significantly more accurate (p = 0.005). However, these differences were driven by

  1. Thermodynamics and crystal chemistry of rhomboclase, (H5O2)Fe(SO4sub>)2·2H2O, and the phase (H3O)Fe(SO4sub>)2 and implications for acid mine drainage

    DEFF Research Database (Denmark)

    Majzlan, Juraj; Grevel, Klaus Dieter; Kiefer, Boris

    2017-01-01

    The system Fe2O3-SO3-H2O contains the most important minerals of acid mine drainage (AMD), iron oxides, and iron sulfates. For geochemical modeling of the AMD systems, reliable thermodynamic data for these phases are needed. In this work, we have determined thermodynamic data for the most acidic...... for both phases were estimated from a Kopp-rule algorithm. The enthalpies of formation and entropies were combined with previously published temperature-relative humidity brackets to generate an internally consistent thermodynamic data set for rhomboclase: ΔfH° = -3202.03 kJ/mol, S° = 378.7 J...

  2. Synthesis, crystal structure and thermal properties of Ca6(C12H14O4sub>)4sub>(CO3)(OH)2(H2O)x – a 3D inorganic hybrid material

    DEFF Research Database (Denmark)

    Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove

    2012-01-01

    anions. The structure shows hydrophilic channels in a diamond-like network. In between the channels there exist hydrophobic pores with surfaces defined by adamantane cages. The shortest distance between hydrogen atoms from different molecules in these pores is 3.6 Å. The largest hydrophilic cavity has...... a diameter of 10 Å and the pores connecting the channels have a diameter of 5 Å. In the as-synthesised state these channels are filled with water molecules. Reversible dehydration–rehydration occurs. The dehydrated compound easily takes up water from ambient air....

  3. EPR study of the low-spin state of Ru.sup.3+./sup. in the YAl.sub.3./sub.(BO.sub.4./sub.).sub.3./sub. and EuAl.sub.3./sub.(BO.sub.3./sub.).sub.4./sub. aluminum borates

    Czech Academy of Sciences Publication Activity Database

    Prokhorov, Andriy; Chernush, L.F.; Dyakonov, V.P.; Szymczak, H.; Prokhorov, A.D.

    2016-01-01

    Roč. 420, Dec (2016), s. 285-289 ISSN 0304-8853 R&D Projects: GA MŠk LO1409; GA MŠk LM2015088 Institutional support: RVO:68378271 Keywords : EPR spectra * rare-earth * aluminum borates * spin Hamiltonian parameters * superposition model * low-spin state Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.630, year: 2016

  4. Infiltrated La0.4sub>Sr0.4sub>Fe0.03Ni0.03Ti0.94O3 based anodes for all ceramic and metal supported solid oxide fuel cells

    DEFF Research Database (Denmark)

    Nielsen, Jimmi; Persson, Åsa Helen; Sudireddy, Bhaskar Reddy

    2017-01-01

    performing nanostructured Ni:CGO electrocatalyst coated A site deficient Lanthanum doped Strontium Titanate (La0.4Sr0.4Fe0.03Ni0.03Ti0.94O3) based anodes. The anodes were incorporated into the co-sintered DTU metal supported solid oxide fuel cell design and large sized 12 cm × 12 cm cells were fabricated....... The titanate material showed good processing characteristics and surface wetting properties towards the Ni:CGO electrocatalyst coating. The cell performances were evaluated on single cell level (active area 16 cm2) and a power density at 0.7 V and 700 °C of 0.650 Wcm−2 with a fuel utilization of 31...

  5. Klajite, MnCu.sub.4./sub.(AsO.sub.4./sub.).sub.2./sub.(AsO.sub.3./sub.OH).sub.2./sub.(H.sub.2./sub.O).sub.10./sub., from Jáchymov (Czech Republic): the second world occurrence

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Kasatkin, A.V.; Škoda, R.; Škácha, P.

    2014-01-01

    Roč. 78, č. 1 (2014), s. 119-129 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : klajite * oxide zone * lindackerite group * arsenate hydrate * bond valence * Jáchymov Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.026, year: 2014

  6. Chalkoalumit, Cu.sup.2+./sup.Al.sub.4./sub.(SO.sub.4./sub.)(OH).sub.12./sub.(H.sub.2./sub.O).sub.3./sub., z Červené žíly, Jáchymov (Česká republika)

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Čejka, J.; Škoda, R.

    2014-01-01

    Roč. 22, č. 2 (2014), s. 227-232 ISSN 1211-0329 R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : chalcoalumite * copper mine rals * electron microprobe data * powder diffraction * Raman spectroscopy * Jáchymov Subject RIV: DB - Geology ; Mine ralogy

  7. Comparison between La0.6Sr0.4sub>CoO3-d and LaNi0.6Co0.4sub>O3-d infiltrated oxygen electrodes for long-term durable solid oxide fuel cells

    DEFF Research Database (Denmark)

    Ovtar, Simona; Hauch, Anne; Veltzé, Sune

    2018-01-01

    The degradation of infiltrated oxygen electrodes during long-term operation of solid oxide fuel cells (SOFCs) was studied. The infiltrated oxygen electrodes were prepared by infiltration of the electro-catalysts La0.6Sr0.4CoO3-d (LSC) and LaNi0.6Co0.4O3-d (LCN) into a porous yttria stabilized...... conducted and the change of resistance was followed by electrochemical impedance spectroscopy under current load. The cell performance degradation profiles of the LSC and LCN infiltrated cells showed significant differences. The performance of the LSC infiltrated cell stabilized after 700 h of operation...

  8. Low temperature processed MnCo2O4sub> and MnCo1.8Fe0.2O4sub> as effective protective coatings for solid oxide fuel cell interconnects at 750 °C

    DEFF Research Database (Denmark)

    Molin, Sebastian; Jasinski, P.; Mikkelsen, Lars

    2016-01-01

    action of the coating applied on Crofer 22 APU is evaluated by following the area specific resistance (ASR) of the scale/coating for 5500 h including several thermal cycles. The coating is prepared by brush painting and has a porous structure after deposition. Post mortem microstructural characterization...

  9. Phase Composition and Long-Term Conductivity of Acceptor Doped Ce(PO3)4sub> and CeP2O7 with Variable P/Metal Ratio and of CeP2O7-KH2PO4sub> Composite

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Hallinder, Jonathan; Lapina, Alberto

    2013-01-01

    The thermal evolution of the phase composition of CeP2O7 and Ce(PO3)4 with 10 mol% Y and Gd doping, respectively, was examined by in-situ powder X-ray diffraction and thermogravimetry with in-line mass spectroscopy. The phase composition depends critically on the P to metal ratio, the annealing...... temperature, humidity and time. CeP2O7 and Ce(PO3)4 were completely decomposed to CePO4 following a 1100 h long conductivity test at 155°C. The conductivity of 10 mol% Gd doped Ce(PO3)4 (synthesized with P:(Ce + Gd) = 5.0) reaches a value of 6.4·10−2 S·cm−1 at 150°C under wet conditions (pH2O = 0.2 atm...

  10. First measurement of the nonlinear coefficient for Gd1-xLux Ca4sub>O(BO3)3 and Gd1-xScxCa4sub>O(BO3)3 crystals

    DEFF Research Database (Denmark)

    Andersen, Martin Thalbitzer; Mortensen, Jesper Liltorp; Germershausen, Sven

    2007-01-01

    The effective nonlinear coefficient and temperature acceptance bandwidth of three Lu and Sc co-doped GdCa4O(B03)3 type nonlinear crystals were measured. NCPM for SHG in to the blue-UV spectral region can be obtained by controlling the co-dopant concentration. Measurements were based on intra-cavi...

  11. The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase beta-[Zn-(C.sub.7./sub.H.sub.4./sub.NO.sub.4./sub.).sub.2./sub.]·3H.sub.2./sub.O

    Czech Academy of Sciences Publication Activity Database

    Tabatabaee, M.; Poupon, Morgane; Eigner, Václav; Vaněk, Přemysl; Dušek, Michal

    2018-01-01

    Roč. 233, č. 1 (2018), s. 17-25 ISSN 2194-4946 R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠk(CZ) LO1603 EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : aperiodic structure * hydrogen bonds * incommensurate modulation * phase transition * zinc Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.179, year: 2016

  12. The structural study of [2-Cl-C.sub.6./sub.H.sub.4./sub.C(O)NH]P(O)[NHC.sub.6./sub.H.sub.4./sub.-4-CH.sub.3./sub.].sub.2./sub.

    Czech Academy of Sciences Publication Activity Database

    Taherzadeh, M.; Pourayoubi, M.; Dušek, Michal; Kučeráková, Monika

    2016-01-01

    Roč. 2, č. 12 (2016), s. 1-5 ISSN 2470-9905 R&D Projects: GA MŠk LO1603; GA ČR GA15-12719S EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : phosphoric triamide * hydrogen bond * crystal structure * graph set motif Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

  13. Zwei- und dreikernige Organometallkomplexe (ReS.sub.4./sub.)[MCl(C.sub.5./sub.Me.sub.5./sub.)], M=Rh, Ir, und (.mu.- WS.sub.4./sub.)[IrCl(C.sub.5./sub.Me.sub.5./sub.)].sub.2./sub..

    Czech Academy of Sciences Publication Activity Database

    Wanner, M.; Hartenbach, I.; Fiedler, Jan; Schleid, T.; Kaim, W.

    2001-01-01

    Roč. 56, - (2001), s. 940-946 ISSN 0932-0776 R&D Projects: GA MŠk OC D15.10 Institutional research plan: CEZ:AV0Z4040901 Keywords : iridium compound * rhodium compound * tetrathiometallates Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.761, year: 2001

  14. Evolution of the pi g sub 9 sub / sub 2 x nu h sub 1 sub 1 sub / sub 2 configuration in the neutron-rich sup 1 sup 1 sup 0 sup , sup 1 sup 1 sup 2 sub 4 sub 5 Rh and sup 1 sup 1 sup 4 sup , sup 1 sup 1 sup 6 sub 4 sub 7 Ag isotopes

    CERN Document Server

    Porquet, M G; Deloncle, I; Venkova, T; Astier, A; Buforn, N; Meyer, M; Prevost, A; Redon, N; Stezowski, O; Donadille, L; Dorvaux, O; Gall, B J P; Schulz, N; Lalkovski, S; Lucas, R; Minkova, A

    2003-01-01

    The sup 1 sup 1 sup 0 sup , sup 1 sup 1 sup 2 Rh and sup 1 sup 1 sup 4 sup , sup 1 sup 1 sup 6 Ag nuclei have been produced as fission fragments in the fusion reaction sup 1 sup 8 O+ sup 2 sup 0 sup 8 Pb at 85 MeV. Their level schemes have been built from gamma-rays detected using the Euroball IV array. High-spin states of these neutron-rich nuclei have been identified for the first time. The yrast structures consist of rotational bands in which the odd proton occupies the pi g sub 9 sub / sub 2 sub-shell and the odd neutron the nu h sub 1 sub 1 sub / sub 2 sub-shell. The evolution of the pi g sub 9 sub / sub 2 x nu h sub 1 sub 1 sub / sub 2 band structure is analyzed as a function of the neutron number.

  15. High-spin structure of the neutron-rich odd-odd sup 1 sup 0 sup 6 sup , sup 1 sup 0 sup 8 sub 4 sub 5 Rh and sup 1 sup 1 sup 0 sup , sup 1 sup 1 sup 2 sub 4 sub 7 Ag isotopes

    CERN Document Server

    Porquet, M G; Deloncle, I; Wilson, A; Venkova, T; Petkov, P; Kutsarova, T; Astier, A; Buforn, N; Meyer, M; Redon, N; Duprat, J; Gall, B J P; Hoellinger, F; Schulz, N; Gautherin, C; Lucas, R; Gueorguieva, E; Minkova, A; Sergolle, H

    2002-01-01

    The sup 1 sup 0 sup 6 sup , sup 1 sup 0 sup 8 Rh and sup 1 sup 1 sup 0 sup , sup 1 sup 1 sup 2 Ag nuclei have been produced as fission fragments following the fusion reaction sup 2 sup 8 Si+ sup 1 sup 7 sup 6 Yb at 145 MeV bombarding energy and studied with the Eurogam2 array. The yrast high-spin states of these four odd-odd nuclei, which are observed for the first time, consist of rotational bands in which the odd proton occupies the pi g sub 9 sub / sub 2 subshell and the odd neutron the nu h sub 1 sub 1 sub / sub 2 subshell. Their behaviour as a function of spin values does not vary with the number of neutrons: as observed in the odd-N neighbouring nuclei, the motion of the odd neutron remains decoupled from the motion of the core, from N=61 to N=65. Moreover, the staggering observed in the yrast bands of odd-odd isotopes is strongly reduced as compared to the large values displayed by the rotational bands built on the pi g sub 9 sub / sub 2 subshell in the odd-A Rh and Ag isotopes. The results of particle...

  16. Calciodelrioite, Ca(VO.sub.3./sub.).sub.2./sub.(H.sub.2./sub.O).sub.4./sub., the Ca analogue of delrioite, Sr(VO.sub.3./sub.).sub.2./sub.(H.sub.2./sub.O).sub.4./sub

    Czech Academy of Sciences Publication Activity Database

    Kampf, A.R.; Marty, J.; Nash, B.P.; Plášil, Jakub; Kasatkin, A.V.; Škoda, R.

    2012-01-01

    Roč. 76, č. 7 (2012), s. 2803-2817 ISSN 0026-461X Institutional research plan: CEZ:AV0Z10100521 Keywords : calciodelrioite * new mineral * crystal structure * divanadate chain * delrioite * rossite * West Sunday mine, Colorado Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.212, year: 2012

  17. Temperature dependence of twinning and magnetic stresses in Ni.sub.46./sub.Mn.sub.24./sub.Ga.sub.22./sub.Co.sub.4./sub.Cu.sub.4./sub. alloy with giant 12% magnetic field-induced strain

    Czech Academy of Sciences Publication Activity Database

    Sozinov, A.; Soroka, A.; Lanska, N.; Rameš, Michal; Straka, Ladislav; Ullakko, K.

    2017-01-01

    Roč. 131, Apr (2017), s. 33-36 ISSN 1359-6462 R&D Projects: GA ČR GA16-00043S Institutional support: RVO:68378271 Keywords : Heusler phases * ferromagnetic shape memory alloy * twinning * magnetic anisotropy * magnetic shape memory Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.747, year: 2016

  18. Solubility Determination of Uranium (IV) Oxalates U(C{sub 2}O{sub 4}){sub 2}.6H{sub 2}O and M{sub 2}U{sub 2}(C{sub 2}O{sub 4}){sub 5}.nH{sub 2}O (M = mono-charged cation)

    Energy Technology Data Exchange (ETDEWEB)

    Costenoble, Sylvain; Grandjean, Stephane; Arab-Chapelet, Benedicte [CEA, Nuclear Energy Division, Radiochemistry and Process Department, Actinide Chemistry Laboratory, CEA Marcoule, bat 399, BP17171, 30207 Bagnols sur Ceze cedex (France); Abraham, Francis [UCCS - Solid Chemistry Unit, UMR CNRS 8181, ENSCL-USTL, B.P. 108, 59652 Villeneuve d' Ascq cedex (France)

    2008-07-01

    The solubility of uranium (IV) oxalate compounds was studied in order to have a precise insight of the behaviour of An(IV)-An(III) (An(IV) = U, Np or Pu and An(III) = Pu or Am) mixed oxalate in the context of oxalic co-conversion for actinide co-management. Concepts of thermodynamics of aqueous-solid solution are reviewed by introducing LIPPMANN theory and THORSTENSON and PLUMMER 'stoichiometric saturation' model in a way to understand and model the system of interest. Different analytical techniques have been developed in order to titrate uranium and/or other actinides at trace levels in solution. This thorough investigation is the basis of further experiments on the solubility of mixed U(IV)- An(III) oxalate solid solutions as a function of the nature of the trivalent actinide and the An(III)/U(IV) ratio. (authors)

  19. NMR Insights into the Unexpected Interaction of SnCl4sub> with D-Glucosamine and Its Effect on 5-HMF Preparation in ZnCl2 Molten Salt Hydrate Medium

    DEFF Research Database (Denmark)

    Chen, Chunyan; Ge, Wenzhi; Jia, Lingyu

    2016-01-01

    SnCl4, a versatile Lewis acid catalyst in the biomass conversion, plays a positive role for the cellulose biomass conversion but negative for chitin biomass conversion as realized in our previous research. In this report, the unexpected effects of SnCl4 on the conversion of d-glucosamine (GlcNH2)...

  20. Spin-fluctuation mediated superconductivity and magnetic order in the cuprate La1.88Sr0.12CuO4sub>

    DEFF Research Database (Denmark)

    Rømer, Astrid Tranum

    , show a very rich electronic phase diagram. A common feature that characterizes both cuprates, heavy fermions, and iron pnictides is the proximity to magnetic order. Therefore, the idea of spin-uctuation mediated pairing is a popular paradigm proposed for unconventional superconductivity. A _ngerprint...... of the pairing mechanism is found in the superconducting gap symmetry. Therefore the study of gap symmetries constitutes one of the most important parts of resolving the superconducting puzzle. This thesis consists of a theoretical and an experimental part. In the theoretical part, we address spin...

  1. Atmospheric chemistry of 4:2 fluorotelomer alcohol (n-C4sub>F9CH2CH2OH)

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Nielsen, Ole John; Hurley, M. D.

    2005-01-01

    Smog chamber/FTIR techniques were used to study the Cl atom initiated oxidation of 4:2 fluorotelomer alcohol (C4F9CH2CH2OH, 4:2 FTOH) in the presence of NOx in 700 Torr of N-2/O-2 diluent at 296 K. Chemical activation effects play an important role in the atmospheric chemistry of the peroxy...

  2. Complete annual CO2, CH4sub>, and N2O balance of a temperate riparian wetland 12 years after rewetting

    DEFF Research Database (Denmark)

    Kandel, Tanka; Lærke, Poul Erik; Hoffmann, Carl Christian

    2018-01-01

    Drained riparian wetlands have been rewetted and restored in recent decades to remove nutrients, increase biodiversity, and mitigate soil carbon dioxide (CO2) emissions. Yet, few studies have documented the long-term effects of rewetting on complete greenhouse gas (GHG) balances including emissio...

  3. Emissions of CH.sub.4./sub., CO.sub.2./sub., and N.sub.2./sub.O from soil at a cattle overwintering area as affected by available C and N

    Czech Academy of Sciences Publication Activity Database

    Šimek, Miloslav; Hynšt, Jaroslav; Šimek, P.

    2014-01-01

    Roč. 75, March (2014), s. 52-62 ISSN 0929-1393 R&D Projects: GA ČR GA526/09/1570; GA MŠk LC06066 Institutional research plan: CEZ:AV0Z60660521 Institutional support: RVO:60077344 Keywords : methane * nitrous oxide * carbon dioxide * gas * emissions * cattle Subject RIV: EE - Microbiology, Virology Impact factor: 2.644, year: 2014

  4. Annual emissions of CH4 sub>and N2O, and ecosystem respiration, from eight organic soils in Western Denmark managed by agriculture

    DEFF Research Database (Denmark)

    Petersen, Søren O; Hoffmann, Carl Christian; Schäfer, Carolyn

    2012-01-01

    during the monitoring period from August 2008 to October 2009. The stratified sampling strategy further included six sampling points in three blocks at each site. Environmental variables (precipitation, PAR, air and soil temperature, soil moisture, groundwater level) were monitored continuously...... and during sampling campaigns, where also groundwater samples were taken for analysis. Gaseous fluxes were monitored on a three-weekly basis, giving 51, 49 and 38 field campaigns for land use categories AR, PG and RG, respectively. Climatic conditions in each region during monitoring were representative......-emitting sites were characterized by fluctuating groundwater, low soil pH and elevated groundwater SO42− concentrations. Annual fluxes of CH4 were generally small, as expected, ranging from 2 to 4 kg CH4 ha−1. However, two permanent grasslands had tussocks of Juncus effusus L. (soft rush) in sampling points...

  5. High-performance lithium storage based on the synergy of atomic-thickness nanosheets of TiO2(B) and ultrafine Co3O4sub> nanoparticles

    DEFF Research Database (Denmark)

    Mujtaba, Jawayria; Sun, Hongyu; Zhao, Yanyan

    2017-01-01

    Lithium ion batteries (LIBs) are critical constituents of modern day vehicular and telecommunication technologies. Transition metal oxides and their composites have been extensively studied as potential electrode materials for LIBs. However, inefficient lithiation, poor electrical conductivity...

  6. Crystal structure and dielectric measurements of mixed caesium-ammonium mercury chloride: Cs{sub 0.7}(NH{sub 4}){sub 0.3}HgCl{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kabadou, A.; Hassen, R.B.; Salah, A.B. [Fac. des Sci., Sfax (Tunisia). Lab. de l`Etat Solide; Jouini, T.

    1998-08-01

    The title compound crystallises in the space group P3{sub 2} and has the unit cell dimensions a = 13.295(11) A, c = 9.419(8) A, V = 1441.82(2), Z = 9, D{sub exp} = 4.17, D{sub calc} = 4.153. The structure at room temperature is considered as distorted perovskite tentatively with R = 0.057 and WR{sub 2} = 0.153 for 700 observed reflections. The dielectric permittivity measured in the frequency and temperatures ranges 10{sup 3} to 10{sup 6} Hz and 307 to 613 K, respectively, reveals a transition at T = 449 K. Transport properties in this material appear to be due to the high mobility of NH{sub 4}{sup +} in the tunnels. (orig.) 13 refs.

  7. Z-Scheme NiTiO 3 /g-C 3 N 4sub> Heterojunctions with Enhanced Photoelectrochemical and Photocatalytic Performances under Visible LED Light Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhenyu [School; Zeng, Xiaoqiao [Chemical; Li, Kai [School; Gao, Shanmin [School; Wang, Qingyao [School; Lu, Jun [Chemical

    2017-11-14

    Direct Z-scheme NiTiO3/g-C3N4 heterojunctions were successfully assembled by using simple calcination method and the photoelectrochemical and photocatalytic performance were investigated by light emitting diode (LED). The photoanode composed by the heterojunction with about 50 wt% NiTiO3 content exhibits the best photoelectrochemical activity with photoconversion efficiency up to 0.066%, which is 4.4 and 3.13 times larger than NiTiO3 or g-C3N4. The remarkably enhanced photoelectrochemical and photocatalytic activity of the heterojunction can be due to the efficiently photogenerated electron-hole separation by a Z-scheme mechanism.

  8. Inversion of spin levels in Ni sup 2 sup + : Zn(BF sub 4) sub 2 centre dot 6H sub 2 O at all -round compression and effect of transition coincidence

    CERN Document Server

    Krygin, I M; Nejlo, G N; Prokhorov, A D

    2001-01-01

    The study of the EPR spectrum of the Ni sup 2 sup + ion, replacing Zn sup 2 sup + in the Zn(BF sub 4) centre dot 6H sub 2 O crystals in the wide temperature range by the all-round compression in the X- and Q-ranges is carried out. The basic changes by varying temperature and pressure occur with the D parameter, characterizing the initial splitting by practically unchanged g-factor. The increase in the temperature is accompanied by the D nonlinear growth. The all-round compression linearly changes the initial splitting and leads to the change in the D-sign, signifying the spin levels inversion by 3.5 kbar. Coincidence of EPR lines, relative to different transitions, leads to the crevasse appearance in the outline of this one, that is connected with cross-relaxation inside the spin system

  9. Comminution of B4sub>C powders with a high-energy mill operated in air in dry or wet conditions and its effect on their spark-plasma sinterability

    DEFF Research Database (Denmark)

    Ortiz, Angel L.; Sánchez-Bajo, Florentino; Leal, Victor Manuel Candelario

    2017-01-01

    to the nanoscale. While this is accompanied by oxidation and aggregation, these are not serious drawbacks. Wet shaker milling in methanol (i.e., conventional ball-milling) resulted only in a moderate B4C particle refinement with greater contamination by the milling tools, which limits its usefulness. It was also......-plasma sintering confirmed this recommendation, and also showed the usefulness of dry shaker milling to obtain refined B4C microstructures for structural applications....

  10. Klaprothite, péligotite and ottohahnite, three new minerals with bidentate UO.sub.7./sub.–SO.sub.4./sub. linkages from the Blue Lizard mine, San Juan County, Utah, USA

    Czech Academy of Sciences Publication Activity Database

    Kampf, A.R.; Plášil, Jakub; Kasatkin, A.V.; Marty, J.; Čejka, J.

    2017-01-01

    Roč. 81, č. 4 (2017), s. 753-779 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : klaprothite * péligotite * ottohahnite * new mineral * uranyl sulfate * crystal structure * Blue Lizard mine * Utah * USA Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 1.285, year: 2016

  11. Crystal structure of vanuralite, Al[(UO.sub.2./sub.).sub.2./sub.(VO.sub.4./sub.).sub.2./sub.](OH)• 8.5H.sub.2./sub.O

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub

    2017-01-01

    Roč. 232, č. 12 (2017), s. 807-814 ISSN 2194-4946 R&D Projects: GA MŠk(CZ) LO1603 Institutional support: RVO:68378271 Keywords : complexity * crystal structure * francevillite topology * uranyl vanadate * vanuralite Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 3.179, year: 2016

  12. Structure and superconductivity of room temperature chemically oxidized La2-xNdxCuO4sub>+y (0<=x<=0.5)

    DEFF Research Database (Denmark)

    Rial, C.; Moran, E.; Alario-Franco, M.A.

    1997-01-01

    -doping increases, probably due to the progressive contraction of the structure along the c-axis. Analogies and differences in the modifications induced by the oxidation process in the present La2-xNdxCuO4+y materials and in related compounds La2-x(Ca/Sr/Ba)(x)CuO4+y (x less than or equal to 0.15) are reported...

  13. EPR study of the ground state of Mn.sup.2+./sup. impurity ions in alumoborates MAl.sub.3./sub.(BO.sub.3./sub.).sub.4./sub. (M=Y, Eu, Tm)

    Czech Academy of Sciences Publication Activity Database

    Prokhorov, A.A.; Prokhorov, A.D.; Chernush, L.F.; Dyakonov, V.P.; Szymczak, H.; Dejneka, Alexandr

    2015-01-01

    Roč. 90, č. 6 (2015), 065804 ISSN 0031-8949 R&D Projects: GA MŠk(CZ) LM2011029 Grant - others:SAFMAT(XE) CZ.2.16/3.1.00/22132 Institutional support: RVO:68378271 Keywords : EPR spectra * rare-earth * superposition model Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.194, year: 2015

  14. Preparación, caracterización y actividad catalítica de CuFe2O4SUB> para el control de emisiones atmosféricas

    OpenAIRE

    Tasca, Julia E.

    2010-01-01

    El término de “contaminación atmosférica” hace referencia a sustancias que ocasionan daños directos sobre animales, plantas y personas, es decir, ejercen un efecto local o regional. Durante siglos, y especialmente en las ciudades, la contaminación del aire no fue un problema. Sin embargo, la expansión de la población y el desarrollo industrial ha modificado la naturaleza de la contaminación del aire. La presencia de grupos con alto consumo de materia y energía conduce necesariamente a la emis...

  15. Static and dynamic characteristics of the Cr.sup.3+./sup. EPR spectra in the Van Vleck paramagnet TmAl.sub.3./sub.(BO.sub.3./sub.).sub.4./sub.

    Czech Academy of Sciences Publication Activity Database

    Prokhorov, Andriy

    2016-01-01

    Roč. 51, č. 10 (2016), 4762-4768 ISSN 0022-2461 R&D Projects: GA MŠk(CZ) LM2011029 Institutional support: RVO:68378271 Keywords : EPR spectra * rare-earth * aluminum borates * spin Hamiltonian parameters * Van Vleck paramagnet Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.599, year: 2016

  16. EPR and luminescence studies of the radiation induced Eu.sup.2+./sup. centers in the EuAl.sub.3./sub.(BO.sub.3./sub.).sub.4./sub. single crystals

    Czech Academy of Sciences Publication Activity Database

    Prokhorov, Andriy; Chernush, L.F.; Babin, Vladimir; Buryi, Maksym; Savchenko, Dariia; Lančok, Ján; Nikl, Martin; Prokhorov, A.D.

    2017-01-01

    Roč. 66, Apr (2017), s. 428-433 ISSN 0925-3467 R&D Projects: GA MŠk LO1409; GA MŠk LM2015088 Institutional support: RVO:68378271 Keywords : EPR spectra * multiferroics * rare-earth * luminescence * aluminum borates * X-ray irradiation * spin Hamiltonian parameters * superposition model Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.238, year: 2016

  17. The anionic 3D-framework [Ga.sub.2./sub.(PO.sub.4./sub.).sub.3./sub.].sub.∞./sub.: a microporous host lattice for various species  

    Czech Academy of Sciences Publication Activity Database

    Lesage, J.; Guesdon, A.; Raveau, B.; Petříček, Václav

    2004-01-01

    Roč. 177, - (2004), s. 3581-3589 ISSN 0022-4596 R&D Projects: GA ČR(CZ) GA202/03/0430 Institutional research plan: CEZ:AV0Z1010914 Keywords : ammonium gallium monophosphate * hydrothermal synthesis * single crystal * X-ray diffraction * structure determination * tunnel structure * hydrogen bonds * three-dimensional host lattice * cationic substitution Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.815, year: 2004

  18. On the thermal stability of the copper-titanium-zirconium phosphate solid solution series: CuTi2-xZrx(PO4sub>)3 (0 < x < 2) under air

    DEFF Research Database (Denmark)

    Warner, Terence Edwin; Skou, Eivind Morten

    2011-01-01

    The solid copper(I) electrolytes: CuTi2(PO4)3; CuTiZr(PO4)3; and CuZr2(PO4)3; were prepared as powders by high temperature synthesis and analysed by powder XRD. These materials were then annealed in air at 400 °C for 72 h. The results of powder XRD showed that the degree of oxidation under...

  19. Synthesis of porous MnCo2O4sub>microspheres with yolk–shell structure induced by concentration gradient and the effect on their performance in electrochemical energy storage

    DEFF Research Database (Denmark)

    Huang, Guoyong; Yang, Yue; Sun, Hongyu

    2016-01-01

    In this study, novel spherical yolk–shell MnCo2O4 powders with concentration gradient have been synthesized. The porous microspheres with yolk–shell structure (2.00–3.00 μm in average diameter, ∼200 nm in thickness of shell) are built up by irregular nanoparticles attached to each other. It is sh...

  20. Permingeatite Cu.sub.3./sub.SbSe.sub.4./sub., from Příbram (Czech Republic): description and Raman spectroscopy investigations of the luzonite-subgroup of minerals

    Czech Academy of Sciences Publication Activity Database

    Škácha, P.; Buixaderas, Elena; Plášil, Jakub; Sejkora, J.; Goliáš, V.; Vlček, V.

    2014-01-01

    Roč. 52, č. 3 (2014), s. 501-511 ISSN 0008-4476 R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : permingeatite * luzonite subgroup * Raman spectroscopy * reflectance * selenide minerals * Příbram * Czech Republic Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.181, year: 2014

  1. Příprava monokrystalů síranu triglycinia s přímesí Pr.sup.3+./sup., Co.sup.2+./sup. a PO.sub.4./sub..sup.3-./sup..

    Czech Academy of Sciences Publication Activity Database

    Prokopová, Lucie; Mička, Z.; Novotný, Jan; Malina, Václav

    2000-01-01

    Roč. 7, č. 2 (2000), s. 67-72 ISSN 1210-8529 R&D Projects: GA ČR GA102/99/0364 Institutional research plan: CEZ:AV0Z2067918 Keywords : ferroelectric materials * crystal growth * pyroelectric detectors Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

  2. Effects of influent fractionation, kinetics, stoichiometry and mass transfer on CH4sub>, H2 and CO2 production for (plant-wide) modeling of anaerobic digesters

    DEFF Research Database (Denmark)

    Solon, Kimberly; Flores Alsina, Xavier; Gernaey, Krist

    2015-01-01

    simulation model no. 2 is used to quantify the generation of CH4, H2 and CO2. A comprehensive global sensitivity analysis based on (i) standardized regression coefficients (SRC) and (ii) Morris' screening's (MS's) elementary effects reveals the set of parameters that influence the biogas production......This paper examines the importance of influent fractionation, kinetic, stoichiometric and mass transfer parameter uncertainties when modeling biogas production in wastewater treatment plants. The anaerobic digestion model no. 1 implemented in the plant-wide context provided by the benchmark...

  3. Loss of the Arabidopsis thaliana P4sub>-ATPase ALA3 Reduces Adaptability to Temperature Stresses and Impairs Vegetative, Pollen, and Ovule Development

    DEFF Research Database (Denmark)

    McDowell, Stephen C.; Lopez Marques, Rosa Laura; Poulsen, Lisbeth Rosager

    2013-01-01

    , a P4-ATPase associated with the trans-Golgi network (ALA3) was previously reported to be important for vegetative growth and reproductive success. Here we show that multiple phenotypes for ala3 knockouts are sensitive to growth conditions. For example, ala3 rosette size was observed to be dependent...

  4. Synthesis, structural and electrical characterizations of DySr.sub.5./sub.Ni.sub.2.4./sub.Cu.sub.0.6./sub.O.sub.12-δ./sub..

    Czech Academy of Sciences Publication Activity Database

    Hamdi, S.; Ouni, S.; Chaker, H.; Rohlíček, Jan; Ben Hassen, R.

    2011-01-01

    Roč. 184, č. 11 (2011), s. 2897-2901 ISSN 0022-4596 Institutional research plan: CEZ:AV0Z10100521 Keywords : Rietveld refinement * K 2 NiF 4 -type structure * electrical resistivity * oxygen vacancies * iodometric titration Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.159, year: 2011

  5. High-Rate, Durable Sodium-Ion Battery Cathode Enabled by Carbon-Coated Micro-Sized Na 3 V 2 (PO 4sub> ) 3 Particles with Interconnected Vertical Nanowalls

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hui [Beijing Key Laboratory of Environment Science and Engineering, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 China; Bi, Xuanxuan [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South, Cass Avenue Lemont IL 60439 USA; Bai, Ying [Beijing Key Laboratory of Environment Science and Engineering, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 China; Yuan, Yifei [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South, Cass Avenue Lemont IL 60439 USA; Department of Materials Science and Engineering, Michigan Technological University, 1400 Townsend Drive Houghton MI 49931 USA; Shahbazian-Yassar, Reza [Department of Materials Science and Engineering, Michigan Technological University, 1400 Townsend Drive Houghton MI 49931 USA; Wu, Chuan [Beijing Key Laboratory of Environment Science and Engineering, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 China; Collaborative Innovation Center of Electric Vehicles in Beijing, Beijing 100081 China; Wu, Feng [Beijing Key Laboratory of Environment Science and Engineering, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 China; Collaborative Innovation Center of Electric Vehicles in Beijing, Beijing 100081 China; Lu, Jun [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South, Cass Avenue Lemont IL 60439 USA; Amine, Khalil [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South, Cass Avenue Lemont IL 60439 USA

    2016-02-08

    Na-ion batteries have been regarded as promising alternatives for Li-ion batteries due to the extensive sodium reserves in the world. Na3V2(PO4)3 has been proved to be a good candidate of the cathode materials in Na-ion batteries but the intrinsic low electrical conductivity and sluggish kinetics handicapped its application. Here, 3D hierarchical Na3V2(PO4)3 particles are synthesized by a facile hydrothermal method, constructed by carbon-coated 2D Na3V2(PO4)3 nanowalls. Superior cell performance of high rate capability and cycle stability are observed in the well-defined structure. As the cathode in Na-ion batteries, it delivers a high capacity almost reaching the theoretical one and exhibits high capacity retention. The enhanced rate capability and cycle performance can be attributed to the improved electrical conductivity from the interconnected carbon layer and the shortened ion diffusion length and high specific surface area from the nanowalls.

  6. Ultrafast direct laser writing of cladding waveguides in the 0.8CaSiO{sub 3}-0.2Ca{sub 3}(PO{sub 4}){sub 2} eutectic glass doped with Nd{sup 3+} ions

    Energy Technology Data Exchange (ETDEWEB)

    Martínez de Mendívil, J., E-mail: jon.martinez@uam.es; Lifante, G. [Departamento de Física de Materiales, C-04, Facultad de Ciencias, Universidad Autónoma de Madrid, 28.049 Madrid (Spain); Sola, D.; Peña, J. I. [Departamento de Ciencia y Tecnología de Materiales y Fluidos, Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza-CSIC, 50.018 Zaragoza (Spain); Vázquez de Aldana, J. R. [Grupo de Investigación en Microprocesado de Materiales con Láser, Departamento de Física Aplicada, Universidad de Salamanca, 37.008 Salamanca (Spain); Aza, A. H. de; Pena, P. [Instituto de Cerámica y Vidrio-CSIC, 28.049 Madrid (Spain)

    2015-01-28

    We report on tubular cladding optical waveguides fabricated in Neodymium doped Wollastonite-Tricalcium Phosphate glass in the eutectic composition. The glass samples were prepared by melting the eutectic powder mixture in a Pt-Rh crucible at 1600 °C and pouring it in a preheated brass mould. Afterwards, the glass was annealed to relieve the inner stresses. Cladding waveguides were fabricated by focusing beneath the sample surface using a pulsed Ti:sapphire laser with a pulsewidth of 120 fs working at 1 kHz. The optical properties of these waveguides have been assessed in terms of near-field intensity distribution and transmitted power, and these results have been compared to previously reported waveguides with double-line configuration. Optical properties have also been studied as function of the temperature. Heat treatments up to 700 °C were carried out to diminish colour centre losses where waveguide's modes and transmitted power were compared in order to establish the annealing temperature at which the optimal optical properties were reached. Laser experiments are in progress to evaluate the ability of the waveguides for 1064 nm laser light generation under 800 nm optical pumping.

  7. Copper(II) manganese(II) orthophosphate, Cu0.5Mn2.5(PO4sub>)2

    DEFF Research Database (Denmark)

    Warner, Terence Edwin; Bond, Andrew; Foghmoes, Søren Preben Vagn

    2011-01-01

    The title compound, Cu0.5Mn2.5(PO4)2, is a copper-manganese phosphate solid solution with the graftonite-type structure, (Mn,Fe,Ca,Mg)3(PO4)2. The structure has three distinct metal cation sites, two of which are occupied exclusively by MnII, and one of which accommodates CuII. Incorporation of C......II into the structure distorts the coordination geometry of the metal cation site from 5-coordinate square-pyramidal towards 4-coordinate flattened tetrahedral, and serves to contract the structure principally along the c axis....

  8. Study of magnetic, structural and magnetocaloric properties of La.sub.0.6./sub.Pr.sub.0.4./sub.Mn.sub.2./sub.Si.sub.2./sub. under high pressures and magnetic field

    Czech Academy of Sciences Publication Activity Database

    Kaštil, Jiří; Arnold, Zdeněk; Isnard, O.; Skourski, Y.; Kamarád, Jiří; Itié, J.P.

    2017-01-01

    Roč. 424, Feb (2017), s. 416-420 ISSN 0304-8853 R&D Projects: GA ČR GA15-03777S Institutional support: RVO:68378271 Keywords : magnetization * compressibility * magnetocaloric effect * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.630, year: 2016

  9. Structural effects and 5d→4f emission transition shifts induced by Yco-doping in Pr-doped K3Lu.sub.1-x./sub.Y.sub.x./sub.(PO.sub.4./sub.).sub.2./sub.

    Czech Academy of Sciences Publication Activity Database

    Carrasco, I.; Bartosiewicz, Karol; Piccinelli, F.; Nikl, Martin; Bettinelli, M.

    2017-01-01

    Roč. 189, Sep (2017), s. 113-119 ISSN 0022-2313 EU Projects: European Commission(XE) 316906 - LUMINET Institutional support: RVO:68378271 Keywords : phase transition * X-ray diffraction * Pr3+ * luminescence * phosphates Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.686, year: 2016

  10. The effects of Ca{sub 2}SiO{sub 4}–Ca{sub 3}(PO{sub 4}){sub 2} ceramics on adult human mesenchymal stem cell viability, adhesion, proliferation, differentiation and function

    Energy Technology Data Exchange (ETDEWEB)

    De Aza, Piedad N., E-mail: piedad@umh.es [Instituto de Bioingeniería, Universidad Miguel Hernández, Avda. Universidad s/n, 03202 Elche, Alicante (Spain); García-Bernal, David, E-mail: redond@gmail.com [Centro Integrado de Investigación Biomédica (CEIB), Universidad de Murcia, 30120 Murcia (Spain); Cragnolini, Francesca, E-mail: dott.ssa_franci@hotmail.it [Centro Integrado de Investigación Biomédica (CEIB), Universidad de Murcia, 30120 Murcia (Spain); Velasquez, Pablo, E-mail: pvlasquez@umh.es [Instituto de Bioingeniería, Universidad Miguel Hernández, Avda. Universidad s/n, 03202 Elche, Alicante (Spain); Meseguer-Olmo, Luis, E-mail: lmeseguer.doc@gmail.com [Centro Integrado de Investigación Biomédica (CEIB), Universidad de Murcia, 30120 Murcia (Spain); Unidad de Bioingeniería ósea, Servicio de Cirugía Ortopédica, Hospital Universitario Virgen de la Arrixaca, Universidad de Murcia, 30120 Murcia (Spain)

    2013-10-15

    Bioceramic samples with osteogenic properties, suitable for use in the regeneration of hard tissue, were synthesized. The materials consisting of α-tricalcium phosphate (αTCP) and also αTCP doped with either 1.5 wt.% or 3.0 wt.% of dicalcium silicate (C{sub 2}S) in the system Dicalcium Silicate–Tricalcium Phosphate (C{sub 2}S–TCP) were obtained by solid state reaction. All materials were composed of a single phase, αTCP in the case of a pure material, or solid solution of C{sub 2}S in αTCP (αTCPss) for the doped αTCP. Viability, proliferation and in vitro osteoinductive capacity were investigated by seeding, adult mesenchymal stem cells of human origin (ahMSCs) which were CD73{sup +}, CD90{sup +}, CD105{sup +}, CD34{sup −} and CD45{sup −} onto the 3 substrates for 30 days. Results show a non-cytotoxic effect after applying an indirect apoptosis test (Annexin V/7-AAD staining), so ahMSCs adhered, spread, proliferated and produced extracellular matrix (Heparan-sulfate proteoglycan (HS) and osteopontin (OP)) on all the ceramics studied. Finally, the cells lost the cluster differentiation marker expression CD73, CD90 y CD105 characteristic of ahMSCs and they showed an osteoblastic phenotype (Alkaline phosphatase activity (ALP), Osteocalcin production (OC), Collagen type I expression (Col-I), and production of mineralization nodules on the extracellular matrix). These observations were more evident in the αTCP ceramic doped with 1.5 wt.% C{sub 2}S, indicating osteoblastic differentiation as a result of the increased concentration of solid solution of C{sub 2}S in αTCP (αTCPss). Overall, these results suggest that the ceramics studied are cytocompatible and they are able to induce osteoblastic differentiation of undifferentiated ahMSCs. - Highlights: • The ceramics studied are cytocompatible and show osteoinductive properties. • Results show a non-cytotoxic effect after applying an indirect apoptosis test. • ahMSCs adhered, spread, proliferated and produced extracellular matrix. • ahMSCs showed more osteoblastic phenotype in the αTCP ceramic doped with 1.5 wt.% C{sub 2}S. • α-TCP solid solution ceramics might be promising for regeneration of hard tissue.

  11. Reinvestigation of the crystal structure of kasolite, Pb[(UO.sub.2./sub.)(SiO.sub.4./sub.)](H.sub.2./sub.O), an important alteration product of uraninite, UO.sub.2-x./sub..

    Czech Academy of Sciences Publication Activity Database

    Fejfarová, Karla; Dušek, Michal; Plášil, J.; Čejka, J.; Sejkora, J.; Škoda, R.

    2013-01-01

    Roč. 434, 1-3 (2013), s. 461-467 ISSN 0022-3115 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100521 Keywords : uranyl silicate * kasolite * crystal structure * spent nuclear fuel Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.016, year: 2013

  12. Exchange bias in UO.sub.2./sub./Fe.sub.3./sub.O.sub.4./sub. thin films above the Néel temperature of UO.sub.2./sub

    Czech Academy of Sciences Publication Activity Database

    Tereshina, Evgeniya; Bao, Z.; Havela, L.; Daniš, S.; Kuebel, C.; Gouder, T.; Caciuffo, R.

    2014-01-01

    Roč. 105, č. 12 (2014), "122405-1"-"122405-5" ISSN 0003-6951 R&D Projects: GA ČR GP13-25866P Institutional support: RVO:68378271 Keywords : exchange bias effect * uranium dioxide * magnetite Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.302, year: 2014

  13. Far-infrared and dielectric spectroscopy of relaxor ferroelectric (Pb.sub.1-x./sub.La.sub.x./sub.)(Zr.sub.0,4./sub.Ti.sub.0,6./sub.)O.sub.3./sub..

    Czech Academy of Sciences Publication Activity Database

    Buixaderas, Elena; Nuzhnyy, Dmitry; Veljko, Sergiy; Kamba, Stanislav; Savinov, Maxim; Petzelt, Jan; Kosec, M.

    2007-01-01

    Roč. 101, č. 7 (2007), 074106/1-074106/8 ISSN 0021-8979 R&D Projects: GA AV ČR IAA100100701; GA ČR(CZ) GA202/06/0403; GA ČR GA202/04/0993 Institutional research plan: CEZ:AV0Z10100520 Keywords : relaxor ferroelectrics * phase transitions * soft mode Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.171, year: 2007

  14. Geschieberite, K.sub.2./sub.(UO.sub.2./sub.)(SO.sub.4./sub.).sub.2./sub.(H.sub.2./sub.O).sub.2./sub., a new uranyl sulfate mineral from Jáchymov

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Hloušek, J.; Kasatkin, A.V.; Škoda, R.; Novák, M.; Čejka, J.

    2015-01-01

    Roč. 79, č. 1 (2015), s. 205-216 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : geschieberite * new mineral * uranyl sulfate * crystal structure * Raman spectroscopy * Jáchymov Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.212, year: 2015

  15. Infrared Zeeman study of the Nd.sup.3+./sup.-Cu.sup.2+./sup. anisotropic exchange interaction in Nd.sub.2./sub.CuO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Richard, P.; Jandl, S.; Poirier, M.; Furnier, P.; Nekvasil, Vladimír; Sadowski, M.L.

    2005-01-01

    Roč. 72, č. 1 (2005), 014506/1-014506/10 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GA202/03/0552 Institutional research plan: CEZ:AV0Z1010914 Keywords : cuprate superconductors * Nd 2 CuO 4 * Zeeman and Stark splitting * anisotropic exchange interaction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.185, year: 2005

  16. Infrared transmission study of crystal-field excitation in La.sub.2-x-y./sub.Nd.sub.x./sub.Sr.sub.y./sub.CuO.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Riou, G.; Jandl, S.; Poirier, M.; Nekvasil, Vladimír; Maryško, Miroslav; Fábry, Jan; Jurek, Karel; Diviš, M.; Hölsä, J.; Sutjahja, I. M.; Menovsky, A. A.; Barilo, S. N.; Shiryaev, S. V.; Kurnevich, L. N.

    2002-01-01

    Roč. 66, - (2002), s. 224508-1 - 221508-7 ISSN 0163-1829 R&D Projects: GA ČR GA202/00/1602; GA ČR GA203/02/0436 Institutional research plan: CEZ:AV0Z1010914 Keywords : cuprate superconductors * level splitting * interactions * crystal-field theory * rare-earth magnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.327, year: 2002

  17. Phase equilibria and microstructure in Sr4sub>Fe6-xCoxO13 0 <= x <= 4 mixed conductors

    DEFF Research Database (Denmark)

    Fossdal, A.; Sagdahl, L.T.; Einarsrud, M.A.

    2001-01-01

    CozO3-delta and Co1-yFeyO were observed with increasing sintering temperature and increasing Co-content due to the limited solubility of Co in Sr4Fe6-xCoxO13. The thermal expansion coefficient of the materials deviates from linear behavior due to the decreasing oxidation state of iron with increasing...

  18. Terrestrial Ecosystem Science 2017 ECRP Annual Report: Tropical Forest Response to a Drier Future: Turnover Times of Soil Organic Matter, Roots, Respired CO2, and CH4sub> Across Moisture Gradients in Time and Space

    Energy Technology Data Exchange (ETDEWEB)

    McFarlane, Karis J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-05-30

    The overall goal of my Early Career research is to constrain belowground carbon turnover times for tropical forests across a broad range in moisture regimes. My group is using 14C analysis and modeling to address two major objectives: quantify age and belowground carbon turnover times across tropical forests spanning a moisture gradient from wetlands to dry forest; and identify specific areas for focused model improvement and data needs through site-specific model-data comparison and belowground carbon modeling for tropic forests.

  19. Ar.sup.+./sup. assited carbidization of TiO.sub.2./sub.(110) supported Mo nanparticles by decomposition of C.sub.2./sub.H.sub.4./sub..

    Czech Academy of Sciences Publication Activity Database

    Berko, A.; Kiss, A.M.; Švec, Martin; Šutara, F.; Cháb, Vladimír

    2008-01-01

    Roč. 82, - (2008), s. 125-129 ISSN 0042-207X Institutional research plan: CEZ:AV0Z10100521 Keywords : Mo * TiO 2 (110) * Ar+ assisted process * supported Mo x * STM * XPS Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.114, year: 2008

  20. Li + solvation and kinetics of Li+–BF4sub>-/PF 6 - ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Tsun-Mei [Department of Chemistry, University of Wisconsin–Parkside, Kenosha, Wisconsin 53141, USA; Dang, Liem X. [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 93352, USA

    2017-10-28

    Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li+ and the dissociation kinetics of ion pairs Li+-[BF4] and Li+-[PF6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux; Impey, Madden, and McDonald approaches; and Grote-Hynes theory. We found the residence times of EC around Li+ ions varied from 70 to 450 ps, depending on the correction method used. We found the relaxation times changed significantly from Li+-[BF4] to Li+-[PF6] ion pairs in EC. Our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influence the dissociation kinetics of ion pairing. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

  1. Thermodynamic modeling of phase equilibria of semi-clathrate hydrates of CO2, CH4sub>, or N2+tetra-n-butylammonium bromide aqueous solution

    DEFF Research Database (Denmark)

    Eslamimanesh, Ali; Mohammadi, Amir H.; Richon, Dominique

    2012-01-01

    , the Non-Random Two-Liquid (NRTL) activity model is used. To calculate the mean activity coefficients of the electrolyte portion, a correlation on the basis of existing osmotic coefficient and activity coefficient values is employed. It is shown that the presented model results are in acceptable agreement...

  2. Temperature-dependent far-infrared reflectance of an epitaxial (BaTiO.sub.3./sub.).sub.8./sub./(SrTiO.sub.3./sub.).sub.4./sub. superlattice

    Czech Academy of Sciences Publication Activity Database

    Železný, Vladimír; Caha, O.; Soukiassian, A.; Schlom, D. G.; Xi, X.X.

    2017-01-01

    Roč. 95, č. 21 (2017), 1-10, č. článku 214110. ISSN 2469-9950 Institutional support: RVO:68378271 Keywords : infrared spectroscopy * ferroelectric superlattice Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  3. On the pressure and temperature dependence of ordering temperature and magnetization of Y.sub.1-x./sub.Th.sub.x./sub.Co.sub.4./sub.B compounds

    Czech Academy of Sciences Publication Activity Database

    Mayot, H.; Isnard, O.; Arnold, Zdeněk; Kamarád, Jiří

    2010-01-01

    Roč. 107, č. 10 (2010), 103921/1-103921/8 ISSN 0021-8979 R&D Projects: GA ČR GA202/09/1027 Institutional research plan: CEZ:AV0Z10100521 Keywords : cobalt compounds * compressibility * crystal structure * Curie temperature * high- pressure effects * magnetic anisotropy * magnetic transitions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.064, year: 2010

  4. High temperature thermoelectric properties of Ca3Co4sub>O9+δ by auto-combustion synthesis and spark plasma sintering

    DEFF Research Database (Denmark)

    Wu, NingYu; Holgate, Tim; Van Nong, Ngo

    2014-01-01

    A rapid method for the synthesis of Ca3Co4O9+δpowder is introduced. The procedure is a modification of the conventional citric-nitrate sol–gelmethod where an auto-combustion process is initiated by a controlled thermal oxidation–reduction reaction. The resulting powders inherit theadvantages...

  5. High-pressure structural behaviour of Cu0.5Fe0.5Cr2S4sub>

    DEFF Research Database (Denmark)

    Waśkowska, A.; Gerward, Leif; Staun Olsen, J.

    2013-01-01

    -pressure behaviour. We report here the first experimental and theoretical determinations of the bulk modulus: B0=106(2)GPa and B′'0=4.0 (experimental), and B0=96GPa and B′0=3.9 (calculated). Moreover, a pressure-induced structural and electronic phase transformation occurs at 14.5GPa accompanied by a volume collapse...

  6. Heterometallic [AgFe3S4sub>] ferredoxin variants: synthesis, characterization, and the first crystal structure of an engineered heterometallic iron–sulfur protein

    DEFF Research Database (Denmark)

    Martic, Maja; Simon, Ida Noemi; Haahr, Lærke Tvedebrink

    2013-01-01

    of the [AgFe3S4] wild type and D14H variants convert to the [Fe3S4] ferredoxin form. The monovalent d 10 silver(I) ion stabilizes the [Fe3S4]+/0 cluster fragment, as opposed to divalent d 10 metal ions, resulting in more than 0.4 V difference in reduction potentials between the silver(I) and, e.g., zinc...

  7. Soil heterogeneity effects on O2 distribution and CH4sub> emissions from wetlands:In situ and mesocosm studies with planar O2 optodes and membrane inlet massspectrometry

    DEFF Research Database (Denmark)

    Jensen, Louise Askær; Elberling, Bo; Glud, Ronnie Nøhr

    2010-01-01

    in periods up to days after changes in the water level. This study shows that although water table position is a competent proxy of soil CH4 fluxes at larger spatio-temporal scales, it becomes inadequate at higher spatial resolution, i.e. at the scale of the soil pedon and below. High resolution O2......, O2 and CH4 and vary temporally with changes in the moisture regime. The O2 content above the water table after drainage varied horizontally from 0 to 100% air saturation within few mm. Oxic zones were observed below the water level and anoxic zones were observed in layers above the water level...... measurements using planar O2 optodes have great potential to enhance our understanding of the effect of the water table position on O2 dynamics on scales of several cm to mm in wetland soils....

  8. Effects of sintering temperature on the internal barrier layer capacitor (IBLC) structure in CaCu.sub.3./sub.Ti.sub.4./sub.O.sub.12./sub. (CCTO) ceramics

    Czech Academy of Sciences Publication Activity Database

    Schmidt, R.; Stennett, M.C.; Hyatt, N.C.; Pokorný, Jan; Prado-Gonjal, J.; Li, M.; Sinclair, D.C.

    2012-01-01

    Roč. 32, č. 12 (2012), s. 3313-3323 ISSN 0955-2219 Institutional research plan: CEZ:AV0Z10100521 Keywords : grain boundaries dielectric properties * chemical properties * perovskites * capacitor s Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.360, year: 2012

  9. Electrodialytic upgrading of three different municipal solid waste incineration residue types with focus on Cr, Pb, Zn, Mn, Mo, Sb, Se, V, Cl and SO4sub>

    DEFF Research Database (Denmark)

    Jensen, Pernille Erland; Kirkelund, Gunvor Marie; Pedersen, Kristine B.

    2015-01-01

    a material feasible for substitution of cement in mortar. In this work results of 23 pilot-scale experiments (5-8kg APC residue each) in electrodialysis stack designed to investigate the leaching properties as a function of time and current density for APC residue from semi-dry and wet flue-gas cleaning...... retention times and higher current densities. Cr and SO4 leaching increased during ED treatment, with lower increase at higher current. Washing or carbonation in combination with ED significantly reduced leaching of Pb and Zn from semidry residue. An indication of a similar effect to carbonation...

  10. Effects of muscarinic receptor antagonists on cocaine discrimination in wild-type mice and in muscarinic receptor M1, M2, and M4sub> receptor knockout mice

    DEFF Research Database (Denmark)

    Joseph, Lauren; Thomsen, Morgane

    2017-01-01

    Muscarinic M1/M4 receptor stimulation can reduce abuse-related effects of cocaine and may represent avenues for treating cocaine addiction. Muscarinic antagonists can mimic and enhance effects of cocaine, including discriminative stimulus (SD) effects, but the receptor subtypes mediating those...

  11. Solid State Formation Mechanism of Li4sub>Ti5O12 from an Anatase TiO2 Source

    DEFF Research Database (Denmark)

    Shen, Yanbin; Søndergaard, Martin; Christensen, Mogens

    2014-01-01

    Solid state synthesis of Li4Ti5O12 anode material for Li ion batteries typically results in products containing rutile TiO2 and Li2TiO3 impurities, and subsequent high calcination temperatures lead to particle growth that reduces capacity and rate ability. Here, the formation and growth of Li4Ti5O......12 particles by a solid-state reaction using anatase TiO2 with various crystallite sizes and Li2CO3 is investigated by in situ high temperature powder X-ray diffraction (HT-PXRD) and thermal gravimetry-differential thermal analysis (TG-DTA). The combined data provide insight into the origin...... crystallite sizes (∼50 nm, ∼30 nm, ∼20 nm, and amorphous) were explored, and decreasing crystallite sizes causes a reduced initial reaction temperature. Using anatase with a crystallite size of ∼20 nm resulted in phase pure Li4Ti5O12 at the lowest temperature (800 °C). PXRD and TG-DTA results also revealed...

  12. Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat).sub.2./sub.CuCl.sub.4./sub.

    Czech Academy of Sciences Publication Activity Database

    Šipr, Ondřej; Vackář, Jiří; Kuzmin, A.

    2016-01-01

    Roč. 23, č. 6 (2016), s. 1433-1439 ISSN 1600-5775 R&D Projects: GA MŠk LD15097 Institutional support: RVO:68378271 Keywords : XANES * vibrations * multiple-scattering formalism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.011, year: 2016

  13. Phase diagram with an enhanced spin-glass region of the mixed Ising-XY magnet LiHoxEr1-xF4sub>

    DEFF Research Database (Denmark)

    Piatek, J. O.; Dalla Piazza, B.; Nikseresht, N.

    2013-01-01

    We present the experimental phase diagram of LiHoxEr1-xF4, a dilution series of dipolar-coupled model magnets. The phase diagram was determined using a combination of ac susceptibility and neutron scattering. Three unique phases in addition to the Ising ferromagnet LiHoF4 and the XY antiferromagn...

  14. Soft-mode-driven lattice instabilities in Cs.sub.2./sub.HgCl.sub.4./sub. crystal: phenomenological treatment and far-infrared spectroscopy of the structurally modulated phases

    Czech Academy of Sciences Publication Activity Database

    Shchur, Y.; Kamba, Stanislav; Parasyuk, O.V.; Kityk, A.V.

    2012-01-01

    Roč. 24, č. 24 (2012), 1-15 ISSN 0953-8984 R&D Projects: GA ČR GAP204/12/1163 Institutional research plan: CEZ:AV0Z10100520 Keywords : incommensurate phase transitions * phonons * IR spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.355, year: 2012

  15. Temperature dependence of Ce-doped (Gd.sub.0.6./sub.La.sub.0.4./sub.).sub.2./sub.Si.sub.2./sub.O.sub.7./sub. scintillators

    Czech Academy of Sciences Publication Activity Database

    Horiai, T.; Kurosawa, S.; Murakami, R.; Yamaji, A.; Shoji, Y.; Ohashi, Y.; Pejchal, Jan; Kamada, K.; Yokota, Y.; Yoshikawa, A.

    2017-01-01

    Roč. 65, Mar (2017), s. 56-59 ISSN 0925-3467 Grant - others:AV ČR(CZ) JSPS-17-18 Program:Bilaterální spolupráce Institutional support: RVO:68378271 Keywords : scintillator * pyrosilicate * temperature dependence Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.238, year: 2016

  16. Dielectric and phonon spectroscopy of Nb-doped Pb(Zr.sub.1-y./sub.Ti.sub.y./sub.)O.sub.3./sub.-CoFe.sub.2./sub.O.sub.4./sub. composites

    Czech Academy of Sciences Publication Activity Database

    Sakanas, A.; Nuzhnyy, Dmitry; Grigalaitis, R.; Banys, J.; Borodavka, Fedir; Kamba, Stanislav; Ciomaga, C.E.; Mitoseriu, L.

    2017-01-01

    Roč. 121, č. 21 (2017), 1-11, č. článku 214101. ISSN 0021-8979 R&D Projects: GA ČR GA15-08389S Institutional support: RVO:68378271 Keywords : composites * dielectric and phonon spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.068, year: 2016

  17. Oleate-based hydrothermal preparation of CoFe.sub.2./sub.O.sub.4./sub. nanoparticles, and their magnetic properties with respect to particle size and surface coating

    Czech Academy of Sciences Publication Activity Database

    Repko, A.; Vejpravová, Jana; Vacková, Taťana; Zákutná, D.; Nižňanský, D.

    2015-01-01

    Roč. 390, Sep (2015), s. 142-151 ISSN 0304-8853 R&D Projects: GA TA ČR(CZ) TE01020118 Institutional support: RVO:68378271 ; RVO:61389013 Keywords : superparamagnetism * size effect * monodisperse nanocrystals * hydrothermal synthesis * cobalt iron oxide * titania Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.357, year: 2015

  18. Magneto-elastic coupling across the first-order transition in the distorted kagome lattice antiferromagnet Dy.sub.3./sub.Ru.sub.4./sub.Al.sub.12./sub.

    Czech Academy of Sciences Publication Activity Database

    Henriques, Margarida Isabel Sousa; Gorbunov, Denis; Kriegner, D.; Vališka, M.; Andreev, Alexander V.; Matěj, Z.

    2016-01-01

    Roč. 400, Feb (2016), 125-129 ISSN 0304-8853 Institutional support: RVO:68378271 Keywords : first-order transition * magneto-elastic coupling * thermal expansion * low-temperature X-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.630, year: 2016

  19. Atmospheric chemistry of CF3CH‗CH2 and C4sub>F9CH‗CH2

    DEFF Research Database (Denmark)

    Nakayama, T.; Takahashi, K.; Matsumi, Y.

    2007-01-01

    FTIR-smog chamber techniques were used to study the products of the Cl atom and OH radical initiated oxidation of CF3CHCH2 in 700 Torr of N-2/O-2, diluent at 296 K. The Cl atom initiated oxidation of CF3CHCH2 in 700 Torr of air in the absence of NOx gives CF3C(O)CH2Cl and CF3CHO in yields of 70...

  20. Scanning thermal microscopy of Bi.sub.2./sub.Te.sub.3./sub. and Yb.sub.0.19./sub.Co.sub.4./sub.Sb.sub.12./sub. thermoelectric films

    Czech Academy of Sciences Publication Activity Database

    Zeipl, Radek; Jelínek, Miroslav; Vaniš, Jan; Remsa, Jan; Kocourek, Tomáš; Navrátil, Jiří

    2016-01-01

    Roč. 122, č. 4 (2016), s. 1-5, č. článku 478. ISSN 0947-8396 R&D Projects: GA ČR(CZ) GA13-33056S Institutional support: RVO:68378271 ; RVO:61389013 Keywords : thermoelectric properties * thin nanolayers * pulsed laser deposition * scanning thermal microscope Subject RIV: BM - Solid Matter Physics ; Magnetism; CA - Inorganic Chemistry (UMCH-V) Impact factor: 1.455, year: 2016

  1. Thermodynamics, stability, crystal structure, and phase relations among euchroite, Cu.sub.2./sub.(AsO.sub.4./sub.)(OH)ˑ3H.sub.2./sub.O, and related minerals

    Czech Academy of Sciences Publication Activity Database

    Majzlan, J.; Števko, M.; Dachs, E.; Benisek, A.; Plášil, Jakub; Sejkora, J.

    2017-01-01

    Roč. 29, č. 1 (2017), s. 5-16 ISSN 0935-1221 R&D Projects: GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : euchroite * paragenesis * oxidation zone * thermodynamics * crystal chemistry Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 1.362, year: 2016

  2. Optical study of defects in nanodiamond films grown in linear antenna microwave plasma CVD from H.sub.2./sub./CH.sub.4./sub./CO.sub.2./sub. gas mixture

    Czech Academy of Sciences Publication Activity Database

    Varga, Marián; Remeš, Zdeněk; Babchenko, Oleg; Kromka, Alexander

    2012-01-01

    Roč. 249, č. 12 (2012), s. 2635-2639 ISSN 0370-1972 R&D Projects: GA ČR(CZ) GAP108/11/0794; GA ČR GAP205/12/0908; GA MŠk LH12236 Institutional research plan: CEZ:AV0Z10100521 Keywords : nanocrystalline diamond * optical spectroscopy * wide band gap semiconductors * pulsed linear plasma CVD Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.489, year: 2012

  3. Single crystal growth of cerium and praseodymium doped YCa.sub.4./sub.O(BO.sub.3./sub.).sub.3./sub. scintillator by micro-pulling down method

    Czech Academy of Sciences Publication Activity Database

    Kamada, K.; Kurosawa, S.; Yokota, Y.; Pejchal, Jan; Ohashi, Y.; Yoshino, M.; Yoshikawa, A.

    2016-01-01

    Roč. 63, č. 2 (2016), s. 486-489 ISSN 0018-9499 R&D Projects: GA MŠk(CZ) LH14266 EU Projects: European Commission(XE) 316906 - LUMINET Institutional support: RVO:68378271 Keywords : crystalline materials * gamma-ray detectors * luminescence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.171, year: 2016

  4. Influence of intrinsic and induced anisotropy on magnetoimpedance effect in amorphous Co.sub.67./sub.Fe.sub.4./sub.Mo.sub.1.5./sub.Si.sub.16.5./sub.B.sub.11./sub..

    Czech Academy of Sciences Publication Activity Database

    Kane, S. N.; Gupta, A.; Kulik, T.; Kraus, Luděk

    254-255, - (2003), s. 498-500 ISSN 0304-8853. [Soft Magnetic Material Conference ( SMM 15). Bilbao, 05.09.2001-07.09.2001] Institutional research plan: CEZ:AV0Z1010914 Keywords : magnetoimpedance effect * magnetic anisotropy * magnetic field annealing Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  5. Thermoelectric Properties and Microstructure of Modified Novel Complex Cobalt Oxides Sr3RECo4sub>O10.5 (RE = Y, Gd)

    DEFF Research Database (Denmark)

    Van Nong, Ngo; Pryds, Nini

    2012-01-01

    We report on the high-temperature thermoelectric properties and microstructure of modified novel complex cobalt oxides Sr3RECo4O10.5 (RE = Y, Gd), in which the Sr- and Co-sites are partly substituted by Ca and Ga, respectively. We have found that the sample with RE = Gd shows a significant higher......-sample resulting in a substantial decrease in porosity, its thermal diffusivity exhibits a lower value then the non-doped one, particularly in high temperature region. © 2012 American Institute of Physics...

  6. Complete Decomposition of Li 2 CO 3 in Li–O 2 Batteries Using Ir/B 4sub> C as Noncarbon-Based Oxygen Electrode

    Energy Technology Data Exchange (ETDEWEB)

    Song, Shidong; Xu, Wu; Zheng, Jianming; Luo, Langli; Engelhard, Mark H.; Bowden, Mark E.; Liu, Bin; Wang, Chong-Min; Zhang, Ji-Guang

    2017-02-10

    Incomplete decomposition of Li2CO3 during charge process is a critical barrier for rechargeable Li-O2 batteries. Here we report complete decomposition of Li2CO3 in Li-O2 batteries using ultrafine iridium-decorated boron carbide (Ir/B4C) nanocomposite as oxygen electrode. The systematic investigation on charging the Li2CO3 preloaded Ir/B4C electrode in an ether-based electrolyte demonstrates that Ir/B4C electrode can decompose Li2CO3 with an efficiency close to 100% at below 4.37 V. In contrast, the bare B4C without Ir electrocatalyst can only decompose 4.7% of preloaded Li2CO3. The reaction mechanism of Li2CO3 decomposition in the presence of Ir/B4C electrocatalyst has been further investigated. A Li-O2 battery using Ir/B4C as oxygen electrode material shows highly enhanced cycling stability than that using bare B4C oxygen electrode. These results clearly demonstrate that Ir/B4C is an effecitive oxygen electrode amterial to completely decompose Li2CO3 at relatively low charge voltages and is of significant importance in improving the cycle performanc of aprotic Li-O2 batteries.

  7. Porous La0.6Sr0.4sub>CoO3-δ thin film cathodes for large area micro solid oxide fuel cell power generators

    DEFF Research Database (Denmark)

    Garbayo, A.; Esposito, Vincenzo; Sanna, Simone

    2014-01-01

    Porous La0.6Sr0.4CoO3-δ thin films were fabricated by pulsed laser deposition for being used as a cathode for micro solid oxide fuel cell applications as MEMS power generators. Symmetrical La0.6Sr0.4CoO3-δ/ yttria-stabilized zirconia/La0.6Sr0.4CoO3-δ free-standing membranes were fabricated using ...

  8. Generalized bond-strength model of Vickers hardness: application to Cr.sub.4./sub.B, CrB, CrB.sub.2./sub., CrB.sub.4./sub., Mo.sub.2./sub.B, MoB.sub.2./sub., OsB.sub.2./sub., ReB.sub.2./sub., WB.sub.2./sub., WB.sub.3./sub. and Ti.sub.1.87./sub.B.sub.50./sub.

    Czech Academy of Sciences Publication Activity Database

    Šimůnek, Antonín; Dušek, Michal

    2017-01-01

    Roč. 112, Sep (2017), s. 71-75 ISSN 0167-6636 R&D Projects: GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : hardness * microscopic model * transition-metal borides * hard and superhard materials Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.651, year: 2016

  9. A novel sheet topology in the structure of kamitugaite, PbAl[(UO.sub.2./sub.).sub.5./sub.(PO.sub.4./sub.).sub.2.38./sub.(AsO.sub.4./sub.).sub.0.62./sub.O.sub.2./sub.(OH).sub.2./sub.](H.sub.2./sub.O).sub.11.5./sub.

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub

    2017-01-01

    Roč. 62, č. 4 (2017), s. 253-260 ISSN 1802-6222 R&D Projects: GA ČR GA17-09161S Institutional support: RVO:68378271 Keywords : kamitugaite * uranyl phosphate * crystal structure * topology Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 0.609, year: 2016

  10. Synthesis and structural characterization of two new layered inorganic-organic hybrid zinc phosphites templated by cyclam: Zn(HPO.sub.3./sub.).sub.2./sub. . 0.5(C.sub.10./sub.H.sub.28./sub.N.sub.4./sub.) and Zn.sub.2./sub.(HPO.sub.3./sub.).sub.3./sub. . 0.5(C.sub.10./sub.H.sub.28./sub.N.sub.4./sub.)

    Czech Academy of Sciences Publication Activity Database

    Halime, I.; Bezgour, A.; Fahim, M.; Dušek, Michal; Fejfarová, Karla; Lachkar, M.; El Bali, B.

    2011-01-01

    Roč. 41, č. 2 (2011), s. 223-229 ISSN 1074-1542 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100521 Keywords : hybrid phosphates * cyclam * wet chemistry * single crystal structure * IR spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.566, year: 2011

  11. Atmospheric chemistry of C4sub>F9O(CH2)3OC4sub>F9 and CF3CFHCF2O (CH2)3OCF3CFHCF2

    DEFF Research Database (Denmark)

    Toft, A. M.; Hurley, M. D.; Wallington, T. J.

    2006-01-01

    FTIR smog chamber techniques were used to measure k(Cl + CF3CFHCF2O(CH2)(3)OCF2CFHCF3) = (2.97 +/- 0.17) x 10(-12) k(OH + CF3CFHCF2O(CH2)(3)OCF2CFHCF3) = (2.45 +/- 0.14) x 10(-13), k(Cl + C4F9O(CH2)(3)OC4F9) = (1.45 +/- 0.16) x 10(-12), and k(OH + C4F9O(CH2)(3)OC4F9) = (1.44 +/- 0.10) x 10(-13) c...

  12. Calculation of the energy of particles emitted by the reactions {sup 3}{sub 1}T (d,n) {sup 4}{sub 2}He, D (d,n) {sup 3}{sub 2}He and D (d,p) T; Calcul de l'energie des particules emises par les reactions {sup 3}{sub 1}T (d,n) {sup 4}{sub 2}He, D (d,n) {sup 3}{sub 2}He et D (d,p) T

    Energy Technology Data Exchange (ETDEWEB)

    Oria, M; Sorriaux, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-07-01

    With a view to ease the work of research workers using 150 kV electrostatic accelerators, we have calculated the energy and the emission angle of particles emitted during the reactions {sub 1}{sup 3}T(d,n){sub 2}{sup 4}He, {sub 1}{sup 2}D(d,n){sub 2}{sup 3}He and {sub 1}{sup 2}D(d,p){sub 1}{sup 3}T. The results are classified in tables and arranged according to the acceleration energy of the deuterons. Since the energies considered are relatively low we have limited our study to the non-relativistic domain; this simplification results in a maximum energy variation with respect to the real energy values of 1 per cent. We give also two curves representing the variations in the total cross-sections for the reactions T (d,n){sub 2}{sup 4}He and D (d,n){sub 2}{sup 3}He. (authors) [French] De facon a faciliter la tache des experimentateurs utilisant des accelerateurs electrostatiques de 150 kV, nous avons calcule l'energie et l'angle d'emission des particules emises lors des reactions {sub 1}{sup 3}T(d,n){sub 2}{sup 4}He, {sub 1}{sup 2}D(d,n){sub 2}{sup 3}He and {sub 1}{sup 2}D(d,p){sub 1}{sup 3}T. Les resultats ont ete classes dans des tableaux, et ordonnes en fonction de l'energie d'acceleration des deuterons. Les energies considerees etant relativement peu elevees, nous avons limite notre etude au domaine non relativiste, cette simplification n'entraine qu'une variation maximale de 1 pour cent sur les valeurs reelles des energies. Nous avons joint a ce calcul deux courbes representant la variation des sections efficaces totales des reactions T (d,n){sub 2}{sup 4}He et D (d,n){sub 2}{sup 3}He. (auteurs)

  13. Reaction of pyridine-N-oxides with halogens; Vzaimodejstvie piridin-N-oksidov s galogenami

    Energy Technology Data Exchange (ETDEWEB)

    Kanibolotskij, A L; Mikhzajlov, V A; Savelova, V A [AN Ukrainskoj SSR, Donetsk (Ukraine). Inst. Fiziko-Organicheskoj Khimii i Uglekhimii

    1994-12-31

    By the methods of conductometry, NMR and IR spectroscopy it has been ascertained that interaction of pyridine-N-oxides with bromine, iodine and interhalides (ICl and IBr) gives rise to the formation of crystal complexes of 1:1 composition. The complexes mentioned are of presumably ionic structure: [RC{sub 5}H{sub 4}N-O...X...O-NC{sub 5}H{sub 4}R]{sup +}[Y-X-Y]{sup -},where X,Y = Cl,Br,I.

  14. Uso de selección asistida con marcadores para resistencia a antracnosis en fríjol común

    Directory of Open Access Journals (Sweden)

    Garzón Luz Nayibe

    2007-12-01

    Full Text Available

    La antracnosis causada por Colletotrichum lindemuthianum puede llegar a generar pérdidas hasta del 95% de la producción en fríjol (Phaseolus vulgaris L., por eso es considerada una de las enfermedades más limitantes. Con el presente trabajo se inició un programa de mejoramiento utilizando selección asistida por marcadores. Se usó como parental resistente el cultivar Mesoamericano G2333, para incorporar a fríjoles volubles comerciales de Colombia los genes Co-5 y Co-42 , que confieren resistencia a C. lindemuthianum. Se obtuvieron progenies RC>1F1 provenientes de cruces entre G2333 y siete parentales volubles tipo Bola roja y Rojo moteado cultivados en zonas productoras de fríjol de Cundinamarca y Boyacá. La selección de plantas RC>1F1 se realizó con los marcadores moleculares SCAR SAB3 y SAS13, ligados a los genes Co-5 y Co-42 , respectivamente. En la evaluación genotípica de 1.271 plantas RC>1F1, 608 amplificaron con SAB3 y 603 con SAS13. La segregación para cada marcador se ajustó a la razón 1:1 esperada en pruebas de chi-cuadrado (X2 = 2,38, P= 0,12 para SAB3 y X2 = 3,32, P= 0,07 para SAS13. Un total de 299 plantas RC>1F1 amplificaron con ambos SCAR, ajustándose a la razón esperada (X2= 1,11, P= 0,78 y confirmando la segregación independiente. Estas plantas fueron seleccionadas para continuar el programa de mejoramiento, ya que se espera que porten los genes Co-5 y Co-42. Se logró implementar la selección asistida por marcadores para antracnosis, y acelerar la introducción y piramidación de genes de resistencia en fríjol de importancia económica en Colombia.

  15. Cu-Si nanoobjects prepared by CVD on Cu/Cu.sub.5./sub.Si-substrates using various precursors (SiH.sub.4./sub., EtSiH.sub.3./sub., BuSiH.sub.3./sub.) with added H.sub.2./sub. or air

    Czech Academy of Sciences Publication Activity Database

    Klementová, Mariana; Krabáč, Lubomír; Brázda, Petr; Palatinus, Lukáš; Dřínek, Vladislav

    2017-01-01

    Roč. 465, May (2017), s. 6-11 ISSN 0022-0248 R&D Projects: GA ČR GC15-08842J Institutional support: RVO:68378271 ; RVO:67985858 Keywords : crystal morphology * nanostructures * chemical vapor deposition processes * alloys Subject RIV: CA - Inorganic Chemistry; CF - Physical ; Theoretical Chemistry (UCHP-M) OBOR OECD: Inorganic and nuclear chemistry; Physical chemistry (UCHP-M) Impact factor: 1.751, year: 2016

  16. Leesite, K(H.sub.2./sub.O).sub.2./sub.[(UO.sub.2./sub.).sub.4./sub.O.sub.2./sub.(OH).sub.5./sub.]∙3H.sub.2./sub.O, a new K-bearing schoepite-family mineral from the Jomac mine, San Juan County, Utah, USA

    Czech Academy of Sciences Publication Activity Database

    Olds, T.A.; Plášil, Jakub; Kampf, A.R.; Spano, T.; Haynes, P.; Carlson, S.M.; Burns, P.C.; Simonetti, A.; Mills, O.P.

    2018-01-01

    Roč. 103, č. 1 (2018), s. 143-150 ISSN 0003-004X R&D Projects: GA ČR(CZ) GA15-12653S Institutional support: RVO:68378271 Keywords : Leesite * sheet anion topology * schoepite * uranium * uraninite * crystal structure Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 2.021, year: 2016

  17. Hydroniumjarosite, (H.sub.3./sub.O).sup.+./sup.Fe.sub.3./sub.(SO.sub.4./sub.).sub.2./sub.(OH).sub.6./sub., from Cerros Pintados, Chile: single-crystal X-ray diffraction and vibrational spectroscopic study

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Škoda, R.; Fejfarová, Karla; Čejka, J.; Kasatkin, A.V.; Dušek, Michal; Talla, D.; Lapčák, L.; Machovič, V.; Dini, M.

    2014-01-01

    Roč. 78, č. 3 (2014), s. 535-547 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : hydroniumjarosite * H3O + * crystal structure * vibrational spectroscopy * X-ray diffraction Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.026, year: 2014

  18. Acción de los iones S04sub>-2, Cl- y Na+ contenidos en el agua de amasado, sobre las resistencias mecánicas de los morteros normales de ensayo

    Directory of Open Access Journals (Sweden)

    García de Paredes y Galbrois, Pablo

    1979-03-01

    Full Text Available Las numerosas consultas de constructores que, para amasar sus hormigones, no disponían de agua exenta de impurezas, movieron nuestra curiosidad a ensayar, en la División de Durabilidad del Departamento de Química en el lETcc, la influencia que algunas sales disueltas en el agua de amasado ejercen sobre las propiedades del hormigón. Publicamos ahora los resultados obtenidos hace más de 12 años en una ''incursión" en ese campo, y lo hacemos para invitar a los investigadores a completar esos conocimientos.

  19. Preparation and characterization of segmented p-type Ti0.3Zr0.35Hf0.35CoSb0.8Sn0.2/Ca3Co4sub>O9

    DEFF Research Database (Denmark)

    Le, Thanh Hung; Han, Li; Stamate, Eugen

    with HH using an electrically conductive adhesive and brazing joining technique. The thermoelectric properties of the component materials as well as the interfacial resistance at high temperatures were characterized as a function of temperature up to 1100 K, and the results are discussed in details.......Misfit-layered cobaltite Ca3Co4O9+δ is considered as good p-type thermoelectric material in high temperature region (950 - 1100 K), while half-Heusler (HH) Ti0.3Zr0.35Hf0.35CoSb0.8Sn0.2 is high performance p-type material at temperatures below 950 K. In this work, oxide Ca3Co4O9+δ is segmented...

  20. Synthesis and crystal structure of a new 2,6-dimethyl piperazine-1,4-diium perchlorate monohydrate: [C{sub 6}H{sub 16}N{sub 2}](ClO{sub 4}){sub 2} · H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Mleh, C. Ben [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte (Tunisia); Roisnel, T. [Université de Rennes I, Centre de Diffractométrie X, UMR 6226 CNRS, Unité Sciences Chimiques de Rennes (France); Marouani, H., E-mail: houda.marouani@fsb.rnu.tn [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte (Tunisia)

    2017-03-15

    A proton transfer compound 2,6-dimethyl piperazine-1,4-diium perchlorate monohydrate was synthesized by slow evaporation at room temperature using 2,6-dimethyl piperazine as template. The asymmetric unit contains one organic dication, two crystal graphically independent perchlorate anions and one water molecule. Each organic entities is engaged in a large number of bifurcated and non-bifurcated N–H···O (O) and C–H···O hydrogen bonds with different species and enhanced the three dimensional supramolecular network. In addition, the diprotonated piperazine ring adopts a chair conformation with the methyl groups occupying equatorial positions.

  1. Shumwayite,[(UO.sub.2./sub.)(SO.sub.4./sub.)(H.sub.2./sub.O).sub.2./sub.].sub.2./sub.·H.sub.2./sub.O, a new uranyl sulfate mineral from Red Canyon, San Juan County, Utah, USA

    Czech Academy of Sciences Publication Activity Database

    Kampf, A.R.; Plášil, Jakub; Kasatkin, A.V.; Marty, J.; Čejka, J.; Lapčák, L.

    2017-01-01

    Roč. 81, č. 2 (2017), s. 273-285 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : shumwayite * new mineral * uranyl sulfate * crystal structure * infrared and Raman spectroscopy Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 1.285, year: 2016

  2. Babánekite, Cu.sub.3./sub.(AsO.sub.4./sub.).sub.2./sub.•8H.sub.2./sub.O, from Jáchymov, Czech Republic – a new member of the vivianite group

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Škácha, P.; Sejkora, J.; Škoda, R.; Novák, M.; Veselovský, F.; Hloušek, J.

    2017-01-01

    Roč. 62, č. 4 (2017), s. 261-270 ISSN 1802-6222 R&D Projects: GA ČR GA17-09161S Institutional support: RVO:68378271 Keywords : Babánekite * new mineral * Vivianite group * crystal structure * Jáchymov Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Geology Impact factor: 0.609, year: 2016

  3. Isopiestic Determination of the Osmotic and Activity Coefficients of Li2SO4sub>(aq) at T=298.15 and 323.15 K, and Representation with an Extended Ion-Interaction (Pitzer) Model

    Energy Technology Data Exchange (ETDEWEB)

    Rard, Joseph A. [Lawrence Livermore National Laboratory (LLNL); Clegg, Simon L. [University of East Anglia, Norwich, United Kingdom; Palmer, Donald [ORNL

    2007-01-01

    Isopiestic vapor-pressure measurements were made for Li{sub 2}SO{sub 4}(aq) from 0.1069 to 2.8190 mol{center_dot}kg{sup -1} at 298.15 K, and from 0.1148 to 2.7969 mol{center_dot}kg{sup -1} at 323.15 K, with NaCl(aq) as the reference standard. Published thermodynamic data for this system were reviewed, recalculated for consistency, and critically assessed. The present results and the more reliable published results were used to evaluate the parameters of an extended version of Pitzer's ion-interaction model with an ionic-strength dependent third-virial coefficient, as well as those of the standard Pitzer model, for the osmotic and activity coefficients at both temperatures. Published enthalpies of dilution at 298.15 K were also analyzed to yield the parameters of the ion-interaction models for the relative apparent molar enthalpies of dilution. The resulting models at 298.15 K are valid to the saturated solution molality of the thermodynamically stable phase Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr). Solubilities of Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr) at 298.15 K were assessed and the selected value of m(sat.)=3.13{+-}0.04 mol{center_dot}kg{sup -1} was used to evaluate the thermodynamic solubility product K {sub s}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = (2.62{+-}0.19) and a CODATA-compatible standard molar Gibbs energy of formation {Delta}{sub f} G m{sup 0}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = -(1564.6{+-}0.5) kJ{center_dot}mol{sup -1}.

  4. Comparison of Fenton, UV-Fenton and nano-Fe3O4sub> catalyzed UV-Fenton in degradation of phloroglucinol under neutral and alkaline conditions: Role of complexation of Fe3+ with hydroxyl group in phloroglucinol

    DEFF Research Database (Denmark)

    Wang, Yong; Lin, Xihuang; Shao, Zongze

    2017-01-01

    difference in TOC removal efficiency: about 90% for UV-Fenton, nearly 60% for Fenton and Hetero-Fenton. Increasing initial pH from 7.0 to 9.0, there was an obvious decline in the degradation rate. The average values of H2O2 utilization efficiency were 0.65 ± 0.01 for Fenton, 0.66 ± 0.09 for UV...

  5. SO 2 Phototriggered Crystalline Nanomechanical Transduction of Aromatic Rotors in Tosylates: Rationalization via Photocrystallography of [Ru(NH 3 ) 4sub> SO 2 X]tosylate 2 (X = pyridine, 3-Cl-pyridine, 4-Cl-pyridine)

    Energy Technology Data Exchange (ETDEWEB)

    Sylvester, Sven O.; Cole, Jacqueline M.; Waddell, Paul G.; Nowell, Harriott; Wilson, Claire

    2014-07-24

    Thermally-reversible solid-state linkage SO2 photoisomers of three complexes in the [Ru(NH3)4SO2X]tosylate2 family are captured in their metastable states using photocrystallography, where X = pyridine (1), 3-Cl-pyridine (2) and 4-Cl-pyridine (3). This photoisomerism only exists in the single-crystal form; accordingly, the nature of the crystalline environment surrounding the photo-active species controls its properties. In particular, the structural role of the tosylate anion needs to be understood against possible chemical influences due to varying the trans ligand, X. The photo-excited geometries, photoconversion levels and thermal stabilities of the photoisomers that form in 1-3 are therefore studied. 1 and 2 yield two photo-isomers at 100 K: the O-bound end-on n1-SO2 Page 1 of 32 ACS Paragon Plus Environment The Journal of Physical Chemistry (MS1) configuration and the side-bound n2-SO2 (MS2), while 3 only exhibits the more thermally stable MS2 geometry. The decay kinetics of the MS2 geometry for 1-3 demonstrate that the greater the free volume of the GS SO2 ligand for a given counterion, the greater the MS2 thermal stability. Furthermore, a rationalization is sought for the SO2 phototriggered molecular rotation of the phenyl ring in the tosylate anion; this is selectively observed in 2, manifesting as nanomechanical molecular transduction. This molecular transduction was not observed in 1, despite the presence of the MS1 geometry due to the close intermolecular interactions between the MS1 SO2 and the neighbouring tosylate ion. The decay of this anionic molecular rotor in 2, however, follows a non-traditional decay pathway, as determined by time-resolved crystallographic analysis; this contrasts with the well-behaved first-order kinetic decay of its MS1 SO2 phototrigger.

  6. Polymorphous transformation in the crystal structure of [Mg(H.sub.2./sub.O).sub.6./sub. Br.sub.2./sub.][(C.sub.7./sub.H.sub.14./sub.N.sub.4./sub.).sub.2./sub.] . 4 (H.sub.2./sub.O) studied by powder and single crystal X-ray diffraction

    Czech Academy of Sciences Publication Activity Database

    Rivera, A.; Rohlíček, Jan; Sadat-Bernal, J.; Ríos-Motta, J.; Dušek, Michal

    2014-01-01

    Roč. 229, č. 4 (2014), s. 319-327 ISSN 0044-2968 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : polymorphism * powder X-ray * single crystal diffraction * 1,3,6,8-tetraazatricyclo[4.3.1.13,ˑ 8]undecane * phase transformation * crystal structure analysis Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.310, year: 2014

  7. Meisserite, Na.sub.5./sub.(UO.sub.2./sub. )(SO.sub.4./sub.).sub.3./sub.(SO.sub.3./sub. OH)(H.sub.2./sub. O), a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Kampf, A.R.; Kasatkin, A.V.; Marty, J.; Škoda, R.; Silva, S.; Čejka, J.

    2013-01-01

    Roč. 77, č. 7 (2013), s. 2975-2988 ISSN 0026-461X R&D Projects: GA ČR GP13-31276P Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional support: RVO:68378271 Keywords : meisserite * new mine ral * uranyl sulfate * crystal structure * Raman spectroscopy * infrared spectroscopy * oxidation zone * acid - mine drainage * uranium Subject RIV: DB - Geology ; Mine ralogy Impact factor: 1.898, year: 2013

  8. On the use of dynamical diffraction theory to refine crystal structure from electron diffraction data: application to KLa.sub.5./sub.O.sub.5./sub.(VO.sub.4./sub.).sub.2./sub., a material with promising luminescent properties

    Czech Academy of Sciences Publication Activity Database

    Colmont, M.; Palatinus, Lukáš; Huvé, M.; Kabbour, H.; Saitzek, S.; Dielal, N.; Roussel, P.

    2016-01-01

    Roč. 55, č. 5 (2016), s. 2252-2260 ISSN 0020-1669 Institutional support: RVO:68378271 Keywords : electron difraction tomography * oxychloride * luminiscence * dynamical diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.857, year: 2016

  9. Chemical stability of La0.6Sr0.4sub>CoO3−δ in oxygen permeation applications under exposure to N2 and CO2

    DEFF Research Database (Denmark)

    Esposito, Vincenzo; Søgaard, Martin; Hendriksen, Peter Vang

    2012-01-01

    Phase stability and chemical reactivity of (La0.6Sr0.4)0.99CoO3−δ (LSC64) was tested in oxidative (pO2= 0.21 atm) and slightly reducing conditions (pO2~10−5 atm), as well as in carbon dioxide (pO2~10−4 atm) to evaluate the material performance for oxygen separation technologies. Thin film LSC64 o...... and chemical history of the samples. A flux of 4–6 Nml min−1 cm−2 in the temperature range of 800–900 °C was demonstrated for optimized membranes and conditions. © 2012 Elsevier B.V. All rights reserved.......Phase stability and chemical reactivity of (La0.6Sr0.4)0.99CoO3−δ (LSC64) was tested in oxidative (pO2= 0.21 atm) and slightly reducing conditions (pO2~10−5 atm), as well as in carbon dioxide (pO2~10−4 atm) to evaluate the material performance for oxygen separation technologies. Thin film LSC64...... measurements in air, N2 and CO2. Under mild reduction LSC64 partly decomposes to a K2NiF4-type phase (i.e. (La,Sr)2CoO4), and Co-oxide, and under high pCO2 forms SrCO3. The latter is found to impair membrane performance. Electrical properties and oxygen permeation (jO2) in thin membranes depend on the thermal...

  10. Carbonate binding to copper(II) in solution: mixed-ligand complex formation and its application to the isolation and separation of the three isomers of [Cu(bpp)(H2O)][ClO4sub>]2 [bpp = 2,6-bis(pyrrolidin-2-yl)pyridine

    OpenAIRE

    Bernauer, Klaus; Godefroy, Isabelle; Cabort, Amel; Guicher, Nathalie; Stoeckli-Evans, Helen; Süss-Fink, Georg

    2006-01-01

    The binding of the carbonate anion to [Cu(meso-bpp)(H2O)]2+ and rac-[Cu(bpp)(H2O)]2+ [bpp = 2,6-bis(pyrrolidin-2-yl)pyridine] in aqueous solution has been investigated. Formation constants of the carbonato complexes [Cu(meso-bpp)(CO3)] and rac-[Cu(bpp)(CO3)] (1.02 × 103 M–1 and 1.77 × 103 M–1, respectively, µ= 0.70 M) have been calculated from spectrophotometric measurements. The formation of these Cu2+ complexes can also be used for an improved synthesis and an easy isolation of the three di...

  11. Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2—H2O and C2H4sub>—H2O complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

    2017-01-01

    -bonded configuration with the H2O subunit acting as the hydrogen bond donor to the π-cloud of C2H4. A (semi)-empirical value for the change of vibrational zero-point energy of 4.0–4.1 kJ mol−1 is proposed and the combination with quantum chemical calculations at the CCSD(T)-F12b/aug-cc-pVQZ level provides a reliable....... The present findings demonstrate that the relative stability of the weak hydrogen bond motifs is not entirely rooted in differences of electronic energy but also to a large extent by differences in the vibrational zero-point energy contributions arising from the class of large-amplitude intermolecular modes....... estimate of 7.1 ± 0.3 kJ mol−1 for the dissociation energy D0 of the C2H4—H2O complex. In addition, tentative assignments for the two strongly infrared active OH librational modes of the ternary C2H4—HOH—C2H4 complex having H2O as a doubly OH⋯π hydrogen bond donor are proposed at 213.6 and 222.3 cm−1...

  12. Ježekite, Na.sub.8./sub.[(UO.sub.2./sub.)(CO.sub.3./sub.).sub.3./sub.](SO.sub.4./sub.).sub.2./sub..3H.sub.2./sub.O, a new uranyl mineral from Jáchymov, Czech Republic

    Czech Academy of Sciences Publication Activity Database

    Plášil, Jakub; Hloušek, J.; Kasatkin, A.V.; Belakovskiy, D. I.; Čejka, J.; Chernyshov, D.

    2015-01-01

    Roč. 60, č. 4 (2015), 259-267 ISSN 1802-6222 R&D Projects: GA ČR GP13-31276P Institutional support: RVO:68378271 Keywords : ježekite * new mineral * uranyl carbonate-sulfate * crystal structure * Jáchymov Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.326, year: 2015

  13. Effect of pH and H2O2 dosage on catechol oxidation in nano-Fe3O4sub> catalyzing UV-Fenton and identification of reactive oxygen species

    DEFF Research Database (Denmark)

    Li, Weiguang; Wang, Yong; Angelidaki, Irini

    2014-01-01

    and then increased, which was ascribed to the formation and destruction of some carboxylic acids. During the degradation, formic acid, acetic acid, oxalic acid, and maleic acid were detected. The values of H2O2 utilization efficiency at 240min near 1.30 in reactions with 11.80mM H2O2 under initial pH from 5.0 to 8.......0-8.0), this heterogeneous UV-Fenton process was powerful, especially reaction at pH 7.0 obtaining the highest COD removal of 93%. The remarkably high oxidation efficiency under neutral and slightly basic conditions was due to fast decrease of solution pH to be strongly acidic. Solution pH decreased until 120min...

  14. Synthesis, characterization, Hirshfeld surface and theoretical properties of (C.sub.7./sub.H.sub.10./sub.N).sub.4./sub.[H.sub.2./sub.P.sub.2./sub.Mo.sub.5./sub.O.sub.23./sub.]•H.sub.2./sub.O

    Czech Academy of Sciences Publication Activity Database

    Harchani, A.; Kučeráková, Monika; Dušek, Michal; Haddad, A.

    2017-01-01

    Roč. 8, Sep (2017), s. 1-9, č. článku 1361. ISSN 0974-3626 R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : diphosphopentamolybdate * synthesis * crystal structure * physicochemical properties * theoretical study Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.235, year: 2016

  15. The crystal structure of Cu1.6Pb1.6Bi6.4sub>S12, a new 44.8 Å derivative of the bismuthinite-aikinite solid-solution series

    DEFF Research Database (Denmark)

    Topa, Dan; Balic-Zunic, Tonci; Makovicky, Emil

    2000-01-01

    Cu1.6Pb1.6Bi6.4S12, aikinite-bismuthinite derivative, crystal structure, Felbertal, scheelite deposit, Austria......Cu1.6Pb1.6Bi6.4S12, aikinite-bismuthinite derivative, crystal structure, Felbertal, scheelite deposit, Austria...

  16. Effect of cupric salts (Cu (NO{sub 3}){sub 2}, CuSO4{sub ,} Cu(CH{sub 3}COO){sub 2}) on Cu{sub 2}(OH)PO{sub 4} morphology for photocatalytic degradation of 2,4-dichlorophenol under near-infrared light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Chao; Li, Pei; Zhang, Wei; Che, Yanhao; Sun, Yaxin; Chi, Fangli; Ran, Songlin; Liu, Xianguo; Lv, Yaohui, E-mail: yaohui2015@163.com [School of Materials Science and Engineering, Anhui Key Laboratory of Metal Materials and Processing, Anhui University of Technology (China)

    2017-03-15

    Cu{sub 2}(OH)PO{sub 4} microstructures were synthesized by the hydrothermal method using three different types cupric salts (Cu (NO{sub 3}){sub 2}, CuSO{sub 4}, Cu(CH{sub 3}COO){sub 2}) as raw materials. The X-ray diffraction (XRD), scanning electron microscopy (SEM) and UV-visible-NIR absorption spectra were used to characterize the as-obtained products. The different anions (SO{sub 4}{sup 2-}, CH{sub 3}COO-, NO{sub 3-}) have different shapes and polarities, which can generate different interactions in reaction bath, induced the difference of structure and morphology of the prepared Cu{sub 2}(OH)PO{sub 4}. The Cu{sub 2}(OH)PO{sub 4} microstructures prepared form Cu(NO{sub 3}){sub 2} ·3H{sub 2}O showed the best photocatalytic activity induced by near-infrared light to degrade 2,4-dichlorophenol (2,4-DCP) solution. Our work suggests that the active morphological surfaces as well as different coordination environments for the metal ions has an important influence on the photocatalytic performance of Cu{sub 2}(OH)PO{sub 4} microstructure. (author)

  17. Molybdenum(VI) Oxosulfato Complexes in MoO3–K2S2O7–K2SO4sub> Molten Mixtures: Stoichiometry, Vibrational Properties, and Molecular Structures

    DEFF Research Database (Denmark)

    Kalampounias, Angelos G.; Tsilomelekis, George; Berg, Rolf W.

    2012-01-01

    effects were explored in the XMoO30 = 0–0.5 range. MoO3 undergoes a dissolution reaction in molten K2S2O7, and the Raman spectra point to the formation of molybdenum(VI) oxosulfato complexes. The MoO stretching region of the Raman spectrum provides sound evidence for the occurrence of a dioxo Mo(O)2...... configuration as a core. The stoichiometry of the dissolution reaction MoO3 + nS2O72– → C2n– was inferred by exploiting the Raman band intensities, and it was found that n = 1. Therefore, depending on the MoO3 content, monomeric MoO2(SO4)22– and/or associated [MoO2(SO4)2]m2m– complexes are formed in the binary...... with ab initio quantum chemical calculations carried out on [MoO2(SO4)3]4– and [{MoO2}2(SO4)4(μ-SO4)2]8– ions, in assumed isolated gaseous free states, at the DFT/B3LYP (HF) level and with the 3-21G basis set. The calculations included determination of vibrational infrared and Raman spectra, by use...

  18. Heterokuban-Cluster-Verbindungen (NEt.sub.4./sub.){Y=M[(ć.sub.3./sub.-S)Re(CO).sub.3./sub.].sub.3./sub.(ć.sub.3./sub.-E)} (M=W oder Mo, Y=O oder S, E=S oder Se): Strukturen, Spektroskopie und Elektrochemie

    Czech Academy of Sciences Publication Activity Database

    Hornung, F. M.; Wanner, M.; Klinkhammer, K. W.; Kaim, W.; Fiedler, Jan

    2001-01-01

    Roč. 627, - (2001), s. 2430-2444 ISSN 0044-2313 R&D Projects: GA MŠk ME 439 Institutional research plan: CEZ:AV0Z4040901 Keywords : cluster compound * crystal strukture * thiometallate Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.165, year: 2001

  19. Evidence of interstitial oxygen in room temperature oxidized La2-xSrxCuO4sub>+y (0-LESS-THAN-X-LESS-THAN-0.1)

    DEFF Research Database (Denmark)

    Rial, C.; Amador, U.; Morán, E.

    1994-01-01

    The crystal structure, superconducting properties and oxygen stoichiometry of room temperature chemically oxidized La2-xSrxCuO4+y (x = 0.05, 0.09) have been studied by means of powder neutron diffraction, magnetic susceptibility and thermogravimetric analysis. The presence in these materials...

  20. A novel mononuclear square-planar copper(II) complex (Pip-H.sup.+./sup.).sub.2./sub.[CuL.sub.4./sub.].sup.2-./sup. with 2-cyano-3-(2,5-dimethoxyphenyl)acrylic acid as ligand: synthesis, crystal structures, spectral and thermal studies

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Fejfarová, Karla; Dušek, Michal; Das, D.

    2012-01-01

    Roč. 143, č. 5 (2012), s. 753-761 ISSN 0026-9247 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100521 Keywords : coper(II) complex * crystal structure * X-ray diffraction * Jana2006 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.629, year: 2012