WorldWideScience

Sample records for ivsub 2posub 4sub

  1. 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.

  2. New crystals of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O system

    Energy Technology Data Exchange (ETDEWEB)

    Makarova, I. P., E-mail: makarova@crys.ras.ru; Grebenev, V. V.; Komornikov, V. A.; Selezneva, E. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation)

    2016-11-15

    Cs{sub 6}H(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}){sub 4} crystals, grown for the first time based on an analysis of the phase diagram of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O ternary system, have been investigated by structural analysis using synchrotron radiation. The atomic structure of the crystals is determined and its specific features are analyzed.

  3. 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)

  4. Synthesis and characterization of the novel rare earth orthophosphates Y{sub 0.5}Er{sub 0.5}PO{sub 4} and Y{sub 0.5}Yb{sub 0.5}PO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Schildhammer, Daniel; Petschnig, Lucas L.; Fuhrmann, Gerda; Heymann, Gunter; Schottenberger, Herwig; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie; Tribus, Martina [Innsbruck Univ. (Austria). Inst. fuer Mineralogie und Petrographie

    2016-02-01

    The new mixed rare earth (RE) orthophosphates Y{sub 0.5}Er{sub 0.5}PO{sub 4} and Y{sub 0.5}Yb{sub 0.5}PO{sub 4} were synthesized by a classical solid state reaction in an electrical furnace at 1200 C. As starting materials, the corresponding rare earth oxides and diammonium hydrogen phosphate were used. The powder diffraction analyses revealed that the new compounds Y{sub 0.5}Er{sub 0.5}PO{sub 4} and Y{sub 0.5}Yb{sub 0.5}PO{sub 4} crystallize in a zircon-type structure being isostructural with the rare earth orthophosphate YPO{sub 4}. Y{sub 0.5}Er{sub 0.5}PO{sub 4} and Y{sub 0.5}Yb{sub 0.5}PO{sub 4} crystallize in the tetragonal space group I4{sub 1}/amd (no. 141) with four formula units in the unit cell. The structural parameters based on Rietveld refinements are a = 687.27(2), c = 601.50(2) pm, V = 0.28412(1) nm{sup 3}, R{sub p} = 0.0143, and R{sub wp} = 0.0186 (all data) for Y{sub 0.5}Er{sub 0.5}PO{sub 4} and a = 684.61(2), c = 599.31(2) pm, V = 0.28089(2) nm{sup 3}, R{sub p} = 0.0242, and R{sub wp} = 0.0313 (all data) for Y{sub 0.5}Yb{sub 0.5}PO{sub 4}. Furthermore, the structure of Y{sub 0.5}Er{sub 0.5}PO{sub 4} was refined from single-crystal X-ray diffraction data: a = 687.78(5), c = 601.85(4) pm, V = 0.28470(5) nm{sup 3}, R{sub 1} = 0.0165, and wR{sub 2} = 0.0385 (all data). In both compounds, the rare earth metal ions are eightfold coordinated by oxygen atoms, forming two unique interlocking tetrahedra with two individual RE-O distances. The tetrahedral phosphate groups [PO{sub 4}]{sup 3-} are slightly distorted in both compounds. The individual rare earth ions share a common position (Wyckoff site 4a). The presence of two rare earth ions in the structures of the new orthophosphates Y{sub 0.5}Er{sub 0.5}PO{sub 4} and Y{sub 0.5}Yb{sub 0.5}PO{sub 4} was additionally confirmed by single-crystal EDX spectroscopy revealing a ratio of 1:1.

  5. 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)

  6. 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.

  7. 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.

  8. Morphology and conductivity study of solid electrolyte Li{sub 3}PO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Prayogi, Lugas Dwi, E-mail: ldprayodi@gmail.com; Faisal, Muhamad [Engineering Physics, Sepuluh Nopember Institute of Technology ITS Campus, Sukolilo, Surabaya 6011 (Indonesia); Kartini, Evvy, E-mail: kartini@batan.go.id; Honggowiranto, Wagiyo; Supardi [Center for Science and Technology of Advanced Materials, National Nuclear Energy Agency Kawasan Puspiptek Serpong, Tangerang Selatan15314, Banten (Indonesia)

    2016-02-08

    The comparison between two different methods of synthesize of solid electrolyte Li{sub 3}PO{sub 4} as precursor material for developing lithium ion battery, has been performed. The first method is to synthesize Li{sub 3}PO{sub 4} prepared by wet chemical reaction from LiOH and H{sub 3}PO{sub 4} which provide facile, abundant available resource, low cost, and low toxicity. The second method is solid state reaction prepared by Li{sub 2}CO{sub 3} and NH{sub 4}H{sub 2}PO{sub 4.} In addition, the possible morphology identification of comparison between two different methods will also be discussed. The composition, morphology, and additional identification phase and another compound of Li{sub 3}PO{sub 4} powder products from two different reaction are characterized by SEM, EDS, and EIS. The Li{sub 3}PO{sub 4} powder produced from wet reaction and solid state reaction have an average diameter of 0.834 – 7.81 µm and 2.15 – 17.3 µm, respectively. The density of Li{sub 3}PO{sub 4} prepared by wet chemical reaction is 2.238 gr/cm{sup 3}, little bit lower than the sample prepared by solid state reaction which density is 2.3560 gr/cm{sup 3}. The EIS measurement result shows that the conductivity of Li{sub 3}PO{sub 4} is 1.7 x 10{sup −9} S.cm{sup −1} for wet chemical reaction and 1.8 x 10{sup −10} S.cm{sup −1} for solid state reaction. The conductivity of Li{sub 3}PO{sub 4} is not quite different between those two samples even though they were prepared by different method of synthesize.

  9. The CeO{sub 2}/Ag{sub 3}PO{sub 4} photocatalyst with stability and high photocatalytic activity under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Song, Yanhua [School of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, 212003 (China); Zhao, Haozhu; Chen, Zhigang; Huang, Liying; Xu, Hui; Li, Huaming [School of the Environment, Institute for Energy Research, Jiangsu University, Zhenjiang, 212013 (China); Wang, Weiren [Department of Chemistry, Rice University, Houston, Texas, 77005 (United States)

    2016-09-15

    The CeO{sub 2}/Ag{sub 3}PO{sub 4} composite photocatalysts are synthesized by an in situ precipitation method. The XRD, FT-IR, XPS, TEM, EDS, and DRS are used to characterize the structure of the samples. The photocatalytic performance of the prepared samples is evaluated by the photocatalytic degradation of methylene blue (MB), rhodamine B (RhB), and ciprofloxacin (CIP). The results show that CeO{sub 2}/Ag{sub 3}PO{sub 4} hybrid materials exhibit much higher photocatalytic activity than the Ag{sub 3}PO{sub 4} alone. The optimal CeO{sub 2} content in CeO{sub 2}/Ag{sub 3}PO{sub 4} composites is found to be molar ratio 1 wt%. Photocurrent response of CeO{sub 2}/Ag{sub 3}PO{sub 4} (1 wt%) is about 1.5 times as high as that of the pure Ag{sub 3}PO{sub 4}. The increase of photocatalytic activity of CeO{sub 2}/Ag{sub 3}PO{sub 4} composites could be mainly attributed to the heterojunction between CeO{sub 2} and Ag{sub 3}PO{sub 4}. The trapping experiment has demonstrated that holes serve as the main active species for the degradation of MB under visible light irradiation. A photocatalytic mechanism is also proposed. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. 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.

  11. Reduced graphene oxide enwrapped pinecone-liked Ag{sub 3}PO{sub 4}/TiO{sub 2} composites with enhanced photocatalytic activity and stability under visible light

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ni; Qiu, Yiwei; Zhang, Yichao; Liu, Hanyang; Yang, Yana; Wang, Jingwei; Li, Xiaoyun; Cui, Can, E-mail: cancui@zstu.edu.cn

    2015-11-05

    Ag{sub 3}PO{sub 4} possesses high photocatalytic activity under visible light, but its application is limited by photogenerated charges recombination, photocorrosion as well as consumption of noble Ag. It is of great interesting to develop new Ag{sub 3}PO{sub 4}-based photocatalysts with high charges separation efficiency, good stability and low content of Ag. In this paper, we report a novel Ag{sub 3}PO{sub 4}/TiO{sub 2}/reduced graphene oxide (Ag{sub 3}PO{sub 4}/TiO{sub 2}/rGO) photocatalyst. It exhibits advantages on both the microstructure and the charges separation. The microstructure shows that TiO{sub 2} spheres of hundreds of nanometers in size are decorated with dense nano-sized Ag{sub 3}PO{sub 4} to form pinecone-liked particles, which are enwrapped by rGO sheets. This novel structure effectively prevents aggregation of nano-sized Ag{sub 3}PO{sub 4}, which not only suppresses the charges recombination in Ag{sub 3}PO{sub 4} but also significantly reduces the content of Ag. Ag{sub 3}PO{sub 4}/TiO{sub 2}/rGO also favors separation of photogenerated charges owing to its two pathways for charges transportation, i.e., the electrons in Ag{sub 3}PO{sub 4} can be transferred to rGO, while the holes in Ag{sub 3}PO{sub 4} can be transferred to TiO{sub 2}. The dual-pathway for charges separation as well as the pinecone-liked Ag{sub 3}PO{sub 4}/TiO{sub 2} microstructure ultimately leads to enhanced photocatalytic activity and stability of Ag{sub 3}PO{sub 4}/TiO{sub 2}/rGO. The photocatalytic performance varies with different contents of Ag{sub 3}PO{sub 4} in the composites, because low content of Ag{sub 3}PO{sub 4} induces weak light absorption while excess Ag{sub 3}PO{sub 4} results in serious charges recombination due to the aggregation of Ag{sub 3}PO{sub 4} nanoparticles. In this work, Ag{sub 3}PO{sub 4}/TiO{sub 2}/rGO with weight ratio of Ag{sub 3}PO{sub 4} against TiO{sub 2}/rGO equals to 0.6 exhibits the highest photocatalytic activity. The percentage of Ag in

  12. A novel Ni{sup 2+}-doped Ag{sub 3}PO{sub 4} photocatalyst with high photocatalytic activity and enhancement mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Song, Limin, E-mail: songlmnk@sohu.com [College of Environment and Chemical Engineering, State Key Laboratory of Hollow-Fiber Membrane Materials and Membrane Processes, Tianjin Polytechnic University, Tianjin 300387 (China); Chen, Zewen; Li, Tongtong [College of Environment and Chemical Engineering, State Key Laboratory of Hollow-Fiber Membrane Materials and Membrane Processes, Tianjin Polytechnic University, Tianjin 300387 (China); Zhang, Shujuan, E-mail: zhangshujuan@tust.edu.cn [College of Science, Tianjin University of Science & Technology, Tianjin, 300457 (China)

    2017-01-15

    Ni{sup 2+}-doped Ag{sub 3}PO{sub 4} (Ni{sup 2+}-Ag{sub 3}PO{sub 4}) photocatalysts with superhigh activity for photodegradation of organic pollutants were prepared by a simple hydrothermal method. The photocatalysts were characterized with X-ray powder diffractometry, transmission electron microscopy, ultraviolet–visible absorption spectroscopy, X-ray photoelectron spectroscopy, measurement of total organic carbon, and electron paramagnetic resonance spectrometry. The photocatalysts were evaluated by methyl orange (MO) photodegradation experiments under visible light irradiation (λ > 420 nm). Comparative analysis showed the optimal doping dosage was 0.05 mol/L Ni{sup 2+}. The optimal Ni{sup 2+}-Ag{sub 3}PO{sub 4} has an MO photodegradation rate constant four times larger than pure Ag{sub 3}PO{sub 4}. The photocatalytic ratio of 40 mg/L MO over the optimal Ni{sup 2+}-Ag{sub 3}PO{sub 4} after 10 min is 89%, which indicates excellent photocatalytic ability in high-concentration MO solutions. The Ni{sup 2+} doping into Ag{sub 3}PO{sub 4} can increase the level of band gap, and accelerate the utilization of photons and the separation of photo-generated charges. Therefore, the Ni{sup 2+} doping into Ag{sub 3}PO{sub 4} is responsible for the enhancement of photocatalytic ability. - Highlights: • Ni{sup 2+}-modified with higher photodegradation ability was synthesized. • ·OH radicals were the main active species in the oxidation of MO. • The doping of Ni{sup 2+} in Ag{sub 3}PO{sub 4} is responsible for the enhanced activity.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Enhanced light harvesting of TiO{sub 2}/La{sub 0.95}Tb{sub 0.05}PO{sub 4} photoanodes for dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hongna; He, Benlin, E-mail: blhe@ouc.edu.cn; Tang, Qunwei, E-mail: tangqunwei@ouc.edu.cn

    2016-04-15

    With an aim of enhancing light harvesting for dye adsorption and therefore photovoltaic performances of dye-sensitized solar cells (DSSCs), we present here an employment of La{sub 0.95}Tb{sub 0.05}PO{sub 4} incorporated TiO{sub 2} nanocrystallites as photoanodes. The preliminary results demonstrate that the dye absorption and therefore electron generation have been markedly enhanced, arising from the conversion of ultraviolet to visible light by La{sub 0.95}Tb{sub 0.05}PO{sub 4}. The crystal structure and light harvesting performances of photoanodes are optimized by adjusting La{sub 0.95}Tb{sub 0.05}PO{sub 4} dosage. The power conversion efficiency is enhanced from 6.52% for pristine TiO{sub 2} based DSSC to 7.27% for the device employing TiO{sub 2}/0.5 wt% La{sub 0.95}Tb{sub 0.05}PO{sub 4}, yielding an efficiency enhancement by 11.35%. This study provides a new strategy for the fabrication of highly efficient DSSCs. - Highlights: • TiO{sub 2}/La{sub 0.95}Tb{sub 0.05}PO{sub 4} nanocrystallites are fabricated by a facile hydrothermal method. • The light intensity and therefore dye excitation have been markedly enhanced. • A conversion efficiency of 7.27% for the DSSC employing TiO{sub 2}/0.5 wt% La{sub 0.95}Tb{sub 0.05}PO{sub 4} is obtained. • The strategy provides new opportunities for efficient DSSCs.

  18. 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.

  19. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-04-15

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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. High efficient multifunctional Ag{sub 3}PO{sub 4} loaded hydroxyapatite nanowires for water treatment

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yaling; Zhou, Hangyu; Zhu, Genxing [Center for Biomaterials and Biopathways, Department of Chemistry, Zhejiang University, Hangzhou (China); Shao, Changyu; Pan, Haihua; Xu, Xurong [Center for Biomaterials and Biopathways, Department of Chemistry, Zhejiang University, Hangzhou (China); Qiushi Academy for Advanced Studies, Zhejiang University (China); Tang, Ruikang, E-mail: rtang@zju.edu.cn [Center for Biomaterials and Biopathways, Department of Chemistry, Zhejiang University, Hangzhou (China); Qiushi Academy for Advanced Studies, Zhejiang University (China)

    2015-12-15

    Highlights: • The multifunctional Ag{sub 3}PO{sub 4} loaded hydroxyapatite (HAP) nanowires were synthesized via a facile in-situ precipitation method. • By optimizing the initial concentration of AgNO{sub 3}, the well-distributed Ag{sub 3}PO{sub 4}/HAP composites could be achieved. • The Ag{sub 3}PO{sub 4}/HAP composites showed excellent photocatalytic performance for the decomposition of dyes under visible light irradiation. • The maximum absorption capacity of the Ag{sub 3}PO{sub 4}/HAP composites for Pb(II) was 250 mg/g, approximately three times as that of pure HAP. • The Ag{sub 3}PO{sub 4}/HAP composites also exhibited excellent antibacterial activities even at relative low concentrations. - Abstract: Organic, inorganic, and biological pollutants are typical water contaminants and they seriously affect water quality. In this study, we suggested that a novel multifunctional Ag{sub 3}PO{sub 4} loaded hydroxyapatite (HAP) material can remove the typical pollutants from water. The Ag{sub 3}PO{sub 4}/HAP composites were synthesized facilely via in-situ precipitation of Ag{sub 3}PO{sub 4} on the pre-existing HAP nanowires. By optimizing the composition of Ag{sub 3}PO{sub 4} and HAP, the material could achieve an optimal photocatalytic activity to decompose rhodamine B (RhB), methyl orange (MO) and methylene blue (MB) under visible light irradiations with enhanced pH stability. Besides, the adsorption of Pb(II) on the Ag{sub 3}PO{sub 4}/HAP reached a maximum capacity of 250 mg/g and this value was approximately three times as that of pure HAP. Furthermore, the composite material exhibited excellent antibacterial activities towards gram-negative bacterium (Escherichia coli) and gram-positive bacterium (Stphylococcus aureus). The results highlighted the cooperative effect between Ag{sub 3}PO{sub 4} and hydroxyapatite (HAP). The simultaneous removals of dyes, toxic metal ions, and bacteria with a high efficiency followed an easy approach for the purification

  6. Hierarchical Fe{sub 3}O{sub 4}@MoS{sub 2}/Ag{sub 3}PO{sub 4} magnetic nanocomposites: Enhanced and stable photocatalytic performance for water purification under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Na [Key Laboratory of Wetland Ecology and Environment, Northeast Institute of Geography and Agroecology, Chinese Academy of Sciences, Changchun 130102 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Li, Haiyan; Xu, Xingjian [Key Laboratory of Wetland Ecology and Environment, Northeast Institute of Geography and Agroecology, Chinese Academy of Sciences, Changchun 130102 (China); Yu, Hongwen, E-mail: yuhw@neigae.ac.cn [Key Laboratory of Wetland Ecology and Environment, Northeast Institute of Geography and Agroecology, Chinese Academy of Sciences, Changchun 130102 (China)

    2016-12-15

    Highlights: • The FM/A-6% possesses a large specific surface area: 76.56 m{sup 2}/g. • The FM/A-6% displays high photocatalytic stability. • The FM/A-6% can be collected easily from the water by magnetic field. - Abstract: Novel hierarchical Fe{sub 3}O{sub 4}@MoS{sub 2}/Ag{sub 3}PO{sub 4} magnetic nanophotocatalyst with remarkable photocatalytic capability were prepared by simply depositing the Ag{sub 3}PO{sub 4} onto the surface of crumpled Fe{sub 3}O{sub 4}@MoS{sub 2} nanosphere. The nanocomposites were characterized by XRD, TEM, HRTEM, XPS, BET, and UV–vis DRS. The outcome of the photocatalytic experiments demonstrated that Fe{sub 3}O{sub 4}@MoS{sub 2}/Ag{sub 3}PO{sub 4} with 6 wt% content of Ag{sub 3}PO{sub 4} (FM/A-6%) showed the highest photocatalytic activity upon the degradation Congo red (CR) and Rhodamine B (RhB) under both visible light and simulated sunlight irradiation. In addition, FM/A-6% possessed larger specific surface area (76.56 m{sup 2}/g) and excellent optical property. The possible Z-scheme charge carriers transfer mechanism for the enhanced photocatalytic properties of the FM/A-6% was also discussed. The Z-scheme charge carriers transfer mechanism established between MoS{sub 2} and Ag{sub 3}PO{sub 4} facilitate the charge separation efficiency. Moreover, FM/A-6% can be separated and collected easily by external magnetic field and maintain high activity after five times photoreaction cycles. Given the remarkable photocatalytic performance and high stability of FM/A-6% nanocomposite, it is looking forward to exhibit great potential for applications in water purification.

  7. Paramagnetic defects in KH{sub 2}PO{sub 4} crystals with high concentration of embedded TiO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Grachev, Valentin G., E-mail: grachev@physics.montana.edu; Tse, Romand; Malovichko, Galina I. [Physics Department, Montana State University, Bozeman, Montana 59717 (United States); Pritula, Igor M.; Bezkrovnaya, Olga N.; Kosinova, Anna V. [Institute for Single Crystals, NAS of Ukraine, Kharkiv (Ukraine)

    2016-01-21

    Qualitative transformations of spectra of Electron Paramagnetic Resonance, EPR, were found in KH{sub 2}PO{sub 4} crystals grown from liquor with 10{sup −5}–10{sup −1 }wt. % of anatase TiO{sub 2} nanoparticles in comparison with nominally pure KH{sub 2}PO{sub 4}. The nanoparticles have larger segregation coefficient for prismatic parts of the crystals than for pyramidal ones. Significant decrease in resonance absorption, complete disappearance of EPR lines of Fe{sup 3+} and Cr{sup 3+} centers, and appearance of four weak lines of equal intensities together with broad asymmetric lines with g-factors about 2.07–2.5 was observed in pyramidal parts grown with concentration of TiO{sub 2} nanoparticles larger than the threshold value 10{sup −2 }wt. %. The four lines were attributed to non-controlled impurity As substituted for P. In the presence of TiO{sub 2} nanoparticles, non-paramagnetic AsO{sub 4}{sup 3−} clusters trap electrons becoming AsO{sub 4}{sup 4−}. Disappearance of Fe{sup 3+} and Cr{sup 3+} centers was explained by their recharge to “EPR-silent” states and/or pairing at the surface of TiO{sub 2} nanoparticles.

  8. 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.

  9. Synthesis, structure and electrochemical properties of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F fluoride-phosphate

    Energy Technology Data Exchange (ETDEWEB)

    Fedotov, Stanislav S. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Skoltech Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology, 143026 Moscow (Russian Federation); Kuzovchikov, Sergey M.; Khasanova, Nellie R.; Drozhzhin, Oleg A.; Filimonov, Dmitriy S. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Karakulina, Olesia M.; Hadermann, Joke [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Abakumov, Artem M. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Skoltech Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology, 143026 Moscow (Russian Federation); EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Antipov, Evgeny V. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation)

    2016-10-15

    LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by {sup 57}Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F cathode material demonstrated a reversible activity of the Fe{sup 3+}/Fe{sup 2+} redox couple at the electrode potential near 3.4 V and minor activity of the Co{sup 3+}/Co{sup 2+} redox couple over 5 V vs Li/Li{sup +}. The material exhibited the discharge capacity of more than 82% (theo.) regarding Fe{sup 3+}/Fe{sup 2+} in the 2.4÷4.6 V vs Li/Li{sup +} potential range. - Graphical abstract: The ball-polyhedral representation of the LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F crystal structure. The MO{sub 4}F{sub 2} units are depicted as blue octahedra, PO{sub 4} units as orange tetrahedra, sodium atoms are designated as yellow (Na1), lithium – red and brown (Li2, Li3 resp.), fluorine – green, oxygen – violet spheres. - Highlights: • Freeze-drying method was successfully applied to the synthesis of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F. • The crystal structure of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F was refined based on NPD and validated by ED and HRTEM. • LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F demonstrated a reversible Li de/intercalation in the 2.5÷4.6 V vs Li/Li{sup +} range.

  10. Enhanced visible-light photocatalytic activities of Ag{sub 3}PO{sub 4}/MWCNT nanocomposites fabricated by facile in situ precipitation method

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Bo [Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou 213164 (China); Li, Zhongyu, E-mail: zhongyuli@mail.tsinghua.edu.cn [Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou 213164 (China); Changzhou Expansion New Stuff Technology Limited Company, Changzhou 213122 (China); Jilin Institute of Chemical Technology, Jilin 132022 (China); Xu, Song, E-mail: cyanine123@163.com [Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou 213164 (China); Han, Dandan; Lu, Dayong [Jilin Institute of Chemical Technology, Jilin 132022 (China)

    2014-05-01

    Highlights: • Ag{sub 3}PO{sub 4}/MWCNT composites were facilely fabricated via in situ precipitation method. • Ag{sub 3}PO{sub 4}/MWCNT composites exhibited enhanced visible-light photocatalytic activity. • Ag{sub 3}PO{sub 4}/MWCNT composites showed good photostability compared with Ag{sub 3}PO{sub 4} particles. • Possible photocatalytic mechanism under visible-light irradiation was proposed. - Abstract: The Ag{sub 3}PO{sub 4}/MWCNT nanocomposites were facilely fabricated via in situ precipitation method by adding (NH{sub 4}){sub 2}HPO{sub 4} into the mixture of multi-walled carbon nanotube (MWCNT) and AgNO{sub 3} solution under stirring. The as-prepared Ag{sub 3}PO{sub 4}/MWCNT nanocomposites were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman spectroscopy, field emission scanning electron microscopy (FE-SEM), the Brunauer–Emmett–Teller surface area (BET) and UV–vis diffuse reflectance spectroscopy. The TEM results showed that the Ag{sub 3}PO{sub 4} nanoparticles were distributed on the surface of MWCNT uniformly with an average diameter of 70 nm, indicating excellent loading result. The photocatalytic activities of Ag{sub 3}PO{sub 4}/MWCNT nanocomposites were investigated by degrading methylene blue (MB) and malachite green (MG) under visible-light irradiation. It was found that the Ag{sub 3}PO{sub 4}/MWCNT nanocomposite exhibited excellent photocatalytic performance with enhanced photocatalytic efficiency and good photostability compared with bare Ag{sub 3}PO{sub 4}. Furthermore, a possible mechanism for the photocatalytic oxidative degradation was also discussed.

  11. 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.

  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. Synthesis and characterization of highly efficient and stable Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt ternary hybrid structure

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Jiatao; Liu, Lin; Niu, Tongjun; Sun, Xiaosong, E-mail: sunxs@scu.edu.cn

    2017-05-01

    Highlights: • Visible-light-driven Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt photocatalysts were prepared. • Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt showed highly efficient and stable photocatalystic activity. • The photocatalytic mechanism of Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite was given. - Abstract: Ag{sub 3}PO{sub 4} is an excellent photocatalyst with high efficiency and quantum yield, but suffers from the fast recombination of photogenerated electron-hole pairs and photo-corrosion. Hereby, the highly efficient and stable visible-light-driven Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt photocatalyst were prepared via a three-step wet chemical approach. The as-prepared Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite was characterized by X-ray diffraction, US-vis diffuse reflectance spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, photoluminescence spectra and transient photocurrent as well. Comparing with single Pr{sub 6}O{sub 11} or Ag{sub 3}PO{sub 4}, the prepared Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite exhibited much higher photocatalytic activity and stability for the degradation of Rhodamine B under visible light irradiation (>420 nm). The enhanced photocatalytic performance of Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite has been attributed to the efficient separation of photo-generated electron-hole pairs through a scheme system composed of Pr{sub 6}O{sub 11,} Ag{sub 3}PO{sub 4} and Pt.

  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. Hydrated aluminophosphate (AlPO/sub 4/. 1. 5H/sub 2/O) with PO/sub 4/, AlO/sub 4/ and AlO/sub 4/(H/sub 2/O)/sub 2/ groups and encapsulated water

    Energy Technology Data Exchange (ETDEWEB)

    Pluth, J.J.; Smith, J.V.

    1986-09-15

    Aluminium phosphate hydrate, AlPO/sub 4/ /sub ./ 1.5H/sub 2/O, M/sub r/=148.98, orthorhombic, Pbca, a=19.3525(13), b=9.7272(7), c=9.7621(8) A, V=1837.7(1) A/sup 3/, Z=16, D/sub x/=2.15 g cm/sup -3/, lambda(CuK..cap alpha..)=1.5418 A, ..mu..=68.2 cm/sup -1/, F(000)=1200, Tproportional to 295 K, R=0.033 for 1530 diffractions. A 4-connected framework contains PO/sub 4/ tetrahedra interposed between AlO/sub 4/ tetrahedra and AlO/sub 4/(H/sub 2/O)/sub 2/ octahedra at the nodes of cross-linked alternate 6/sup 3/ and 4.8/sup 2/ nets. A two-dimensional channel system, limited by 8-rings, lies between adjacent 6/sup 3/ nets. One H/sub 2/O of each octahedron lies in a 6-ring, and the other forms a continuous chain with a third H/sub 2/O which is held in place only by hydrogen bonds.

  16. A novel visible light-driven Ag{sub 3}PO{sub 4}/SBA-15 nanocomposite: Preparation and application in the photo-degradation of pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Chai, Yuanyuan; Wang, Li; Ren, Jia; Dai, Wei-Lin, E-mail: wldai@fudan.edu.cn

    2015-01-01

    Graphical abstract: - Highlights: • Highly efficient visible-light-driven Ag{sub 3}PO{sub 4}/SBA-15 nanocomposite. • Application in the photo-degradation of RhB. • Synthesis from a facile and simple colloidal method. • 20%-Ag{sub 3}PO{sub 4}/SBA-15 shows 8 times faster degradation rate than Ag{sub 3}PO{sub 4}. • Super stability and recycling ability. - Abstract: A novel visible light-driven environmental-benign Ag{sub 3}PO{sub 4}/SBA-15 nanocomposite photo-catalyst was synthesized for the photo-degradation of pollutants. The exploration on adsorption and photo-catalysis of dye or organic pollution for the nanocomposite was carried out. The adsorption capability for Ag{sub 3}PO{sub 4}/SBA-15 nanocomposite increases by 3 times compared with that of the Ag{sub 3}PO{sub 4} particles. The photo-catalytic activity of nanocomposite is higher than pristine Ag{sub 3}PO{sub 4} nanoparticle for the degradation of RhB or MO under visible light irradiation (λ > 420 nm). The effect of Ag{sub 3}PO{sub 4} loading on the catalytic performance was also studied. The results show that the optimum degradation is achieved over 20% Ag{sub 3}PO{sub 4}/SBA-15. Compared to pure Ag{sub 3}PO{sub 4} nanoparticle, the most efficient catalyst showed 8 times higher photo-catalytic activity for the degradation of RhB. The Ag{sub 3}PO{sub 4}/SBA-15 catalysts were systematically characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV–Vis diffuse reflectance spectroscopy (DRS), and N{sub 2}-adsorption–desorption isotherms (BET). A possible mechanism scheme regarding photo-degradation enhancement induced by dye enrichments has been proposed on the Ag{sub 3}PO{sub 4}/SBA-15 nanocomposite. Additionally, the SBA-15 support can enhance the efficiency of separation of catalyst from the reaction mixture, implying that the Ag{sub 3}PO{sub 4} loading on the SBA-15 catalyst will not result in the extra environment and health

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-01

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

  18. In situ photoactivated plasmonic Ag{sub 3}PO{sub 4}@silver as a stable catalyst with enhanced photocatalytic activity under visible light

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Dongfang; Wang, Jiaxun, E-mail: zdfbb66@aliyun.com [College of Science, Huazhong Agricultural University, Wuhan (China)

    2017-05-15

    Silver orthophosphate (Ag{sub 3}PO{sub 4}) had been reported as an excellent candidate to split water or decompose pollutants with high efficiency in visible light region, yet is not stable due to the reduction of silver ion. In this work, an easy-fabricated method (in situ photoinduced reduction) was provided to enhance the stability of Ag{sub 3}PO{sub 4} for its possible application as a visible-light sensitive photocatalyst. The as-prepared samples were characterized by X-ray diffraction (XRD), UV-vis diffuse reflectance spectra, photoluminescence spectra (PL) and Photoelectrochemical measurements. The Ag{sub 3}PO{sub 4}/Ag photocatalysts showed strong photocatalytic activity for decomposition of RhB dye or phenol-X-3B mixture under visible light irradiation (λ> 420 nm) and can be used repeatedly. The possible mechanism for the enhanced photocatalytic properties of the Ag{sub 3}PO{sub 4} /Ag hybrid was also discussed. It was found that •OH and holes take priority over •O{sub 2}{sup -} radicals in serving as the main oxidant in the Ag{sub 3}PO{sub 4}/Ag photocatalytic system. Especially, the experimental results indicate that the surface plasmon resonance of Ag nanoparticles and a large negative charge of PO{sub 4}{sup 3-} ions as well as high separation efficiency of {sup e-} --h{sup +} pairs, facilitated the enhancement of the photocatalytic activity of the Ag{sub 3} PO{sub 4} /Ag composite. The results indicated that Ag{sub 3} PO{sub 4} /Ag is an efficient and stable visible-light-driven photocatalyst. (author)

  19. TL-OSL study of Li{sub 3}PO{sub 4}: Mg, Cu phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Rahangdale, S. R., E-mail: sachin.rahangdale1@gmail.com; Wankhede, S. P. [Department of Physics, K.D.K.College of Engineering, Nagpur (India); Dhabekar, B. S. [RPAD, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Palikundwar, U. A.; Moharil, S. V. [Department of Physics, RTM Nagpur University, Nagpur, 440010 (India)

    2015-08-28

    In the present work, we report the thermoluminescence and optically stimulated luminescence properties of Mg and Cu doped Li{sub 3}PO{sub 4} phosphor. The phosphor was synthesized by precipitation method. The thermoluminescence dosimetric peak temperature for the phosphor varies with concentrations of Mg and Cu. Li{sub 3}PO{sub 4} shows good response to 470nm optical stimulation. The OSL sensitivity of the phosphor is approximately 12 times than that of standard Lithium magnesium phosphate. This study may help to develop this material for the application in real time dosimetry using optically stimulated luminescence.

  20. Electric dipole moment in KH{sub 2}PO{sub 4} systematically modified by proton irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Jin Kweon, Jung; Lee, Cheol Eui [Department of Physics and Institute for Nano Science, Korea University, Seoul 136-713 (Korea, Republic of); Noh, S. J.; Kim, H. S. [Department of Applied Physics, Dankook University, Yongin 448-701 (Korea, Republic of)

    2012-01-01

    We have carried out an impedance spectroscopy study on a series of proton-irradiated KH{sub 2}PO{sub 4} (KDP) systems. A systematic modification was observed in the transverse dipole moment of the proton-irradiated KDP systems, associated with hydrogen-ion displacements, as obtained from dielectric constant measurements by using a mean-field approximation. Besides, intercorrelation of the charge transport with the dielectric properties was revealed, both having closely to do with the hydrogen-bond modification.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2018-04-03

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

  2. Co-hydrothermal synthesis of LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C nano-hybrid cathode material with enhanced electrochemical performance for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jun [School of Metallurgy, Northeastern University, Shenyang, 110004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); Luo, Shaohua, E-mail: tianyanglsh@163.com [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao, 066004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); School of Materials Science and Engineering, Northeastern University, Shenyang, 110004 (China); Chang, Longjiao [School of New Energy, Bohai University, Jinzhou, 121013 (China); Hao, Aimin; Wang, Zhiyuan; Liu, Yanguo [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao, 066004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); School of Materials Science and Engineering, Northeastern University, Shenyang, 110004 (China); Xu, Qian [School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 (China); Wang, Qing; Zhang, Yahui [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao, 066004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); School of Materials Science and Engineering, Northeastern University, Shenyang, 110004 (China)

    2017-02-01

    Highlights: • A co-hydrothermal approach to synthesize LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C composite material in water/PEG system is present. • The Mn{sub 1-x}Mg{sub x}PO{sub 4} precursor is prepared by precipitation reaction. • Co-modified with Mg{sup 2+} doping and LiAlO{sub 2} compositing strategies play an important role in improving the electronic conductivity and facilitating the diffusion of lithium ion. • LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C composite material exhibits a high specific discharge capacity of 151.8 mAh/g at 0.05C. - Abstract: LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C is synthesized by a co-hydrothermal method in water/PEG system using Li{sub 2}CO{sub 3}, AAO and Mn{sub 1-x}Mg{sub x}PO{sub 4} as raw material. The electronic structure and micromorphology of multi-component compound LiMn{sub 1-x}Mg{sub x}PO{sub 4}/C (x = 0, 1/24, 1/12, 1/6) and nano-hybrid LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C cathode materials are studied by first-principles calculation and experimental research including XRD, SEM, TEM. The calculated band gap of LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}/C is 2.296 eV, which is lower than other percentages Mg{sup 2+} doping samples. Electrochemical tests exhibit LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}/C has better cycling performance and rate capability than other contents Mg{sup 2+} doping samples with the discharge capacity of 143.5 mAh/g, 141.5 mAh/g, 139.2 mAh/g and 136.3 mAh/g at 0.05C, 0.1C, 0.5C and 1C in order. After compositing and preparation of LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C composite material by co-hydrothermal route, the initial discharge capacity reaches up to 151.8 mAh/g, which suggests that co-modified with Mg{sup 2+} doping and LiAlO{sub 2} compositing material can improve the electronic conductivity of LiMnPO{sub 4}/C by facilitating the lithium ion diffusion rate in the interior of the materials.

  3. 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.

  4. K{sub 2}Y(WO{sub 4})(PO{sub 4}): Tm{sup 3+}, Dy{sup 3+}: a potential tunable single-phased white-emitting phosphor under UV light excitation

    Energy Technology Data Exchange (ETDEWEB)

    Han, Lili, E-mail: hanlili.06@163.com [Key Laboratory of Atomic and Molecular Physics & Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); Xie, Xinzhong; Lian, Junhong; Wang, Yuhua [Department of Material Science, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000 (China); Wang, Chengwei, E-mail: cwwang@nwnu.edu.cn [Key Laboratory of Atomic and Molecular Physics & Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China)

    2016-08-15

    A white-emitting K{sub 2}Y(WO{sub 4})(PO{sub 4}): Tm{sup 3+}, Dy{sup 3+} phosphor has been successfully prepared by conventional high-temperature solid-state reaction. X-ray diffraction and photoluminescence spectra were used to characterize the as-synthesized phosphors. The results show that all samples crystallize in an orthorhombic crystal system with a space group of Ibca (73). Under the excitation at 292 nm, the un-doped sample presents a self-illumination feature, which should result from the crystal host excitation or molecular transitions within the WO{sub 4}{sup 2−} group. Upon 360 or 350 nm excitation, the Tm{sup 3+}or Dy{sup 3+} single-doped K{sub 2}Y(WO{sub 4})(PO{sub 4}) samples can emit an intense blue and white light with the optimal concentration 1% and 5%, respectively. In order to inquiry the interactions of Tm{sup 3+} and Dy{sup 3+}, a series of co-doping samples were prepared and by the analyses of excitation and emission spectra and decay times, we carefully investigated whether or not the energy transfer occurs between Tm{sup 3+} and Dy{sup 3+} in the host K{sub 2}Y(WO{sub 4})(PO{sub 4}). In addition, the color coordinate of as-obtained samples pumped by ultraviolet light are also clearly displayed in this work. Furthermore, with the increase in temperature, KYWP: 0.05Dy{sup 3+} presents satisfactory thermal stability. All the results indicate that the single-composition phosphor could have a promising application in the area of white light emitting diodes.

  5. Fabrication of a direct Z-scheme type WO{sub 3}/Ag{sub 3}PO{sub 4} composite photocatalyst with enhanced visible-light photocatalytic performances

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Jinsuo, E-mail: lujinsuo@xauat.edu.cn [School of Environmental and Municipal Engineering, Xi’an University of Architecture and Technology, Xi’an 710055 (China); Wang, Yujing [School of Materials and Chemical Engineering, Xi’an Technological University, Xi’an, Shaanxi 710032 (China); Liu, Fei [School of Environmental and Municipal Engineering, Xi’an University of Architecture and Technology, Xi’an 710055 (China); Zhang, Liang [College of Sciences, Xi’an University of Architecture and Technology, Xi’an 710055 (China); Chai, Shouning, E-mail: s.n.chai@xauat.edu.cn [College of Sciences, Xi’an University of Architecture and Technology, Xi’an 710055 (China)

    2017-01-30

    Highlights: • A solid direct Z-scheme type photocatalyst WO{sub 3}/Ag{sub 3}PO{sub 4} was synthesized. • The WO{sub 3}/Ag{sub 3}PO{sub 4} composite showed enhanced photocatalytic activity and stability. • Nearly complete removal of organic dyes was achieved in a short time. • The reasonable Z-scheme mechanism of WO{sub 3}/Ag{sub 3}PO{sub 4} composite was proposed. - Abstract: A direct Z-scheme type photocatalyst WO{sub 3}/Ag{sub 3}PO{sub 4} composite (molar ration 1:1, 1W/1Ag) was prepared by hydrothermal method. The 1W/1Ag was characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD), UV–vis diffuse reflection spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS), and photoluminescence emission spectroscopy (PL) etc. technologies. The photocatalytic performances were evaluated by degradation of methylene blue (MB) and methyl orange (MO), and their removal rates were up to 95% after 60 min and 90% after 180 min, respectively. The prepared 1W/1Ag exhibits a much higher photocatalytic activity than pure Ag{sub 3}PO{sub 4} and pure WO{sub 3} under visible light irradiation. The apparent rate constants of MB and MO degradation on 1W/1Ag are about 2.4 and 2.5 times that of pure Ag{sub 3}PO{sub 4}, respectively. The enhanced performance of the 1W/1Ag is attributed to a synergistic effect including relatively high surface area, strong light absorption, matched energy band structure, and the improved separation of photogenerated charge carriers between the two components. A reasonable Z-scheme mechanism referring to directed migration of photoinduced carriers was proposed. Thus, it can be suggested that the 1W/1Ag can serve as a promising photocatalyst for environmental purification and clean energy utilization.

  6. Toluene and chlorobenzene dinitration over solid H{sub 3}PO{sub 4}/MoO{sub 3}/SiO{sub 2} catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Adamiak, Joanna, E-mail: jadamiak@ch.pw.edu.pl [Warsaw University of Technology, Faculty of Chemistry, Division of High Energetic Materials, Noakowskiego 3, 00-664 Warsaw (Poland); Kalinowska-Alichnewicz, Dorota; Szadkowski, Michal; Skupinski, Wincenty [Warsaw University of Technology, Faculty of Chemistry, Division of High Energetic Materials, Noakowskiego 3, 00-664 Warsaw (Poland)

    2011-11-15

    Highlights: {yields} A novel catalyst H{sub 3}PO{sub 4}/MoO{sub 3}/SiO{sub 2} was characterized and used in nitration. {yields} On the surface domains of phosphomolybdic acid (HPM) are obtained. {yields} Dinitrotoluene is obtained with very high yield i.e. 96 wt.% in mild conditions. {yields} Dinitrochlorobenzene is obtained with only twelve-fold excess of nitric acid. {yields} It is sulfuric acid free and solvent free nitration of aromatic compounds. - Abstract: A new catalyst, H{sub 3}PO{sub 4}/MoO{sub 3}/SiO{sub 2}, was prepared by modification of MoO{sub 3}/SiO{sub 2} using phosphoric acid. The characterization of the catalyst was performed using Infrared and Raman Spectroscopy, potentiometric titration and nitrogen adsorption-desorption methods. Molybdenum oxides were identified along with phosphomolybdic acid and polymolybdates on the modified surface. The suitability of the catalysts for toluene and chlorobenzene nitration in continuous process was examined. Toluene is effectively nitrated to dinitrotoluene (DNT) in one-stage process (96 wt.% of DNT in the product) and in mild conditions i.e. at room temperature and only with ten-fold excess of nitric acid. In chlorobenzene nitration only twelve-fold excess of nitric acid is needed to obtain as high yield as 95 wt.%. Most importantly, the novel catalysts we have developed, provide the opportunity for sulfuric acid- free nitration of aromatic compounds.

  7. A chemical bath deposition route to facet-controlled Ag{sub 3}PO{sub 4} thin films with improved visible light photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Gunjakar, Jayavant L.; Jo, Yun Kyung; Kim, In Young; Lee, Jang Mee; Patil, Sharad B. [Department of Chemistry and Nanoscience, College of Natural Sciences, Ewha Womans University, Seoul 03760 (Korea, Republic of); Pyun, Jae-Chul [Department of Materials Science and Engineering, College of Engineering, Yonsei University, Seoul (Korea, Republic of); Hwang, Seong-Ju, E-mail: hwangsju@ewha.ac.kr [Department of Chemistry and Nanoscience, College of Natural Sciences, Ewha Womans University, Seoul 03760 (Korea, Republic of)

    2016-08-15

    A facile, economic, and reproducible chemical bath deposition (CBD) method is developed for the fabrication of facet-controlled Ag{sub 3}PO{sub 4} thin films with enhanced visible light photocatalytic activity. The fine-control of bath temperature, precursor, complexing agent, substrate, and solution pH is fairly crucial in preparing the facet-selective thin film of Ag{sub 3}PO{sub 4} nanocrystal. The change of precursor from silver nitrate to silver acetate makes possible the tailoring of the crystal shape of Ag{sub 3}PO{sub 4} from cube to rhombic dodecahedron and also the bandgap tuning of the deposited films. The control of [Ag{sup +}]/[phosphate] ratio enables to maximize the loading amount of Ag{sub 3}PO{sub 4} crystals per the unit area of the deposited film. All the fabricated Ag{sub 3}PO{sub 4} thin films show high photocatalytic activity for visible light-induced degradation of organic molecules, which can be optimized by tailoring the crystal shape of the deposited crystals. This CBD method is also useful in preparing the facet-controlled hybrid film of Ag{sub 3}PO{sub 4}–ZnO photocatalyst. The present study clearly demonstrates the usefulness of the present CBD method for fabricating facet-controlled thin films of metal oxosalt and its nanohybrid. - Highlights: • The crystal facet of Ag{sub 3}PO{sub 4} films can be tuned by chemical bath deposition. • The crystal shape of Ag{sub 3}PO{sub 4} is tailorable from cube to rhombic dodecahedron. • Facet-tuned Ag{sub 3}PO{sub 4} film shows enhanced visible light photocatalyst activity.

  8. Reusable sunlight activated photocatalyst Ag{sub 3}PO{sub 4} and its significant antibacterial activity

    Energy Technology Data Exchange (ETDEWEB)

    Thiyagarajan, Shankar; Singh, Sarika; Bahadur, D., E-mail: dhirenb@iitb.ac.in

    2016-04-15

    A simple and surfactant free soft chemical approach is adopted for the successful synthesis of Ag{sub 3}PO{sub 4} nanoparticles (NPs) at room temperature. The obtained Ag{sub 3}PO{sub 4} NPs are nearly spherical in shape with a size of 250 ± 50 nm. These NPs are highly efficient for the degradation of three organic dyes (methylene blue, rhodamine B and methyl orange) under four different types of light sources. In this case, the superior photocatalytic activity is mainly driven by singlet oxygen radicals and it is confirmed through the electron spin resonance (ESR) spin trapping technique, using several quenchers/sources. Notably, these NPs have the ability to absorb large portion of solar spectrum and therefore it displays higher efficiency under sunlight as compared to UV-C light and a 60 W household compact fluorescence lamp (CFL). Furthermore, these NPs exhibit excellent colloidal stability and recycling capability for the degradation of dyes. In addition, it possesses significant antibacterial activity with complete inhibition of bacterial pathogen, Escherichia coli at a very low concentration (0.01 mg/mL) after a mere 15 min of incubation time. The inhibition of bacterial growth is also suggested from the generation of intracellular reactive oxygen species (ROS) in E. coli by fluorescence microscopy. Thus, these NPs may provide a potential outcome for the environmental remediation. - Graphical abstract: Schematic representation of the mechanism involved in photodegradation of organic dyes and inhibition of bacterial growth using Ag{sub 3}PO{sub 4} nanoparticles. - Highlights: • Excellent catalytic activity for dyes degradation under different light sources. • Mechanism involving catalyst mediated ROS generation in photocatalysis suggested. • Good recycling capability of Ag{sub 3}PO{sub 4} even after the fifth cycles. • Extraordinary antibacterial activity of Ag{sub 3}PO{sub 4} after a very short incubation time. • Detection of intracellular

  9. Novel Ag{sub 3}PO{sub 4}/MoO{sub 3}p-n heterojunction with enhanced photocatalytic activity and stability under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Teng, Wei, E-mail: tengw@just.edu.cn [Department of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, 212003 (China); Tan, Xiangjun [Department of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, 212003 (China); Li, Xinyong [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian, 116024 (China); Tang, Yubin [Department of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, 212003 (China)

    2017-07-01

    Graphical abstract: Excellent photocatalytic activity and stability are achieved over Ag{sub 3}PO{sub 4}/MoO{sub 3}p-n heterostructure nanocatalyst, which was increased the charge separation efficiencies. - Highlights: • The Ag{sub 3}PO{sub 4}/MoO{sub 3}p-n heterostructure nanocatalyst was synthesized successfully. • The composite nanocatalyst possesses excellent photocatalytic activity and stability. • The effective separation of electron-hole pairs were mainly depend on the inner electric field of p-n heterojunction. - Abstract: Ag{sub 3}PO{sub 4}/MoO{sub 3}p-n heterojunction have been successfully fabricated by using a simple in situ solvent method. SEM, TEM, XRD, XPS and electrochemical techniques were used to study the structural and electrochemical characteristics of the resulting materials. The photocatalytic activity of the obtained composite was tested by the degradation of organic dye (methylene blue) under visible-light irradiation. The photocatalytic activity of Ag{sub 3}PO{sub 4}/MoO{sub 3} remained 92.5% after four recycling runs, which was much higher than that of the pure Ag{sub 3}PO{sub 4} (54%). The obtained results confirm that the novel Ag{sub 3}PO{sub 4}/MoO{sub 3} heterostructure exhibited significantly higher photocatalytic activities and improved stability compared with bare Ag{sub 3}PO{sub 4}. The excellent photocatalytic activity came from the effective separation of the electron-hole pairs under the effect of built-in electric field in the interfacial the of the p-n heterojunction, and then made the holes more available for dyes oxidation.

  10. Influence of preparation conditions on porous structures of olive stone activated by H{sub 3}PO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Yavuz, Reha; Akyildiz, Hanife [Istanbul Technical University, Chemical and Metallurgical Engineering Faculty, 34469 Maslak, Istanbul (Turkey); Karatepe, Nilguen; Cetinkaya, Eda [Istanbul Technical University, Institute of Energy, Renewable Energy Division, 34469 Maslak, Istanbul (Turkey)

    2010-01-15

    An olive factory residue was used as a precursor in the preparation of granular activated carbon by chemical activation with H{sub 3}PO{sub 4}. Effects of final activation temperature, time, and H{sub 3}PO{sub 4} concentration used in the impregnation stage on the porous development were investigated. SO{sub 2} adsorption experiments were also performed for some of the activated carbon samples to represent their adsorption performance. Activation at low temperature represented that micropores were developed first at early stages of the temperatures. Mesoporosity developed at around 250 C, enhanced up to 400 C, and then started to decrease due to possibly shrinking of pores. The optimum temperature for olive stone was found to be around 400 C on the basis of total pore volume and BET surface area. It was clearly demonstrated that H{sub 3}PO{sub 4} concentration used in the impregnation stage was not only effective for development of surface area and pore volumes but also an effective tool for tailoring the pore structure and size distribution. (author)

  11. Mn{sub 0.95}I{sub 0.02}[PO{sub 3}(OH)] · 2H{sub 2}O phosphate–iodate, an inorganic analogue of phosphonates

    Energy Technology Data Exchange (ETDEWEB)

    Belokoneva, E. L., E-mail: elbel@geol.msu.ru; Dimitrova, O. V.; Volkov, A. S. [Moscow State University, Faculty of Geology (Russian Federation)

    2015-09-15

    The new Mn{sub 0.95}I{sub 0.02}[PO{sub 3}(OH)] · 2H{sub 2}O phosphate–iodate (space group Pnam = Pnma, D{sub 2h}{sup 16}) is obtained under hydrothermal conditions. The crystal structure is determined without preliminary knowledge of the chemical formula. The structure consists of layers of MnO{sub 6} octahedra connected with PO{sub 4} tetrahedra. Water molecules are located between the layers. [IO3]{sup –} groups having a typical umbrella-like coordination are statistically implanted in layers of MnO{sub 6} octahedra at a distance of 1.2 Å from Mn atoms. Their content in the crystal is minor. The structures of the phosphate–iodate coincides with the structures of phosphonates with consideration for the replacement of one (OH) vertex of the PO{sub 4} tetrahedron by the organic methyl radical CH{sub 3}. In the structures of phosphonates and earlier studied phosphates, identical layers are distinguished and the cause of the existence of two MDO varieties is established based on the analysis within the OD theory. Possible hybrid structures derived from the prototypes under consideration are predicted.

  12. Preparation and characterization of activated carbon from reedy grass leaves by chemical activation with H{sub 3}PO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jianzhong, E-mail: xjz8112@sina.com [College of Chemistry and Environmental Science, Hebei University, Baoding 071002, Hebei (China); Chen, Lingzhi [College of Chemistry and Environmental Science, Hebei University, Baoding 071002, Hebei (China); Department of Applied Chemistry, Hengshui University, Hengshui 053000, Hebei (China); Qu, Hongqiang; Jiao, Yunhong; Xie, Jixing [College of Chemistry and Environmental Science, Hebei University, Baoding 071002, Hebei (China); Xing, Guangen [Department of Applied Chemistry, Hengshui University, Hengshui 053000, Hebei (China)

    2014-11-30

    Highlights: • Activated carbons were produced from reedy grass leaves by activation with phosphoric acid. • The activated carbons have a large number of oxygen- and phosphorus-containing surface groups. • The structure of activated carbons was bight fibers features on the surface and the external surface of the activated carbons was slightly corrugated and abundant pores. - Abstract: Activated carbons were produced from reedy grass leaves by chemical activation with H{sub 3}PO{sub 4} in N{sub 2} atmosphere and their characteristics were investigated. The effects of activation temperature and time were examined. Adsorption capacity was demonstrated with BET and iodine number. Micropore volume and pore size distribution of activated carbons were characterized by N{sub 2} adsorption isotherms. The surface area and iodine number of the activated carbons produced at 500 °C for 2 h were 1474 m{sup 2}/g and 1128 mg/g, respectively. Thermal decomposition of pure reedy grass leaves and H{sub 3}PO{sub 4}-impregnated reedy grass leaves have been investigated with thermogravimetric/mass spectroscopy (TG–MS) technique. It was found that the temperature and intensity of maximum evolution of H{sub 2}O and CO{sub 2} of H{sub 3}PO{sub 4}-impregnated reedy grass leaves were lower than that of pure reedy grass leaves. This implies that H{sub 3}PO{sub 4} as an activating reagent changed the thermal degradation of the reedy grass leaves, stabilized the cellulose structure, leading to a subsequent change in the evolution of porosity. The results of X-ray photoelectron spectroscopy and Fourier-infrared spectroscopy analysis indicate that the produced activated carbons have rich functional groups on surface.

  13. 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)

  14. Microwave assisted synthesis of core–shell LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite cathode for high-performance lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Li, Huanhuan [Automotive Engineering Research Institute, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013 (China); Li, Yunxing [School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Chen, Long; Jiang, Haobin [Automotive Engineering Research Institute, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013 (China); Wei, Jinping [Institute of New Energy Material Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Nankai University, Tianjin 300071 (China); Wang, Hongbo [China Aviation Lithium Battery Co. Ltd., Luoyang 471003 (China); Wang, Yaping, E-mail: wangyaping@ujs.edu.cn [School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2014-12-25

    Highlights: • We firstly report a fast microwave heating way to prepare LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C. • The reversible discharge capacity of LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C is about 169 mA h g{sup −1}. • LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite elucidates excellent cyclic stability. • LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite exhibits attractive rate capability. - Abstract: A microwave assisted method is developed for synthesizing pure LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4} and LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite. Olivine LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4} coated with uniform amorphous carbon film of ∼5 nm in thickness with an average size of ∼200 nm is successfully obtained. Compared with pure LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}, LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C composite presents enhanced electrochemical Li-ion intercalation performances. It exhibits a high discharge capacity of 169 mA h g{sup −1} at 0.1 C (theoretical capacity is 170 mA h g{sup −1}). The capacity retention is 99% after 30 cycles. Furthermore, the capacities are still retained 101 at 5 C and 76 mA h g{sup −1} and 20 C, respectively. Carbon coating can significantly improve the Li-ion diffusion, the reversibility of lithium extraction/insertion and electrical conductivity of LiCo{sub 1/3}Mn{sub 1/3}Fe{sub 1/3}PO{sub 4}.

  15. Ag{sub 3}PO{sub 4} nanocrystals deposited on monoclinic olive-like BiVO{sub 4} with efficient photodegradation of organic dyes under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jingshuai, E-mail: chen-jshuai@ahu.edu.cn; Jiang, Liang-Liang; Liu, Xing-Pei; Mao, Chang-Jie, E-mail: maochangjie@sina.com; Song, Ji-Ming; Niu, Helin; Zhang, Shengyi [Anhui University, School of Chemistry and Chemical Engineering (China)

    2017-05-15

    Olive-like BiVO{sub 4} microstructures with lengths of 600–1000 nm and widths of 300–600 nm have been synthesized via a facile and additive-free solvothermal method. Studies find that the type of solvent plays an important role in the morphology of the final products. Furthermore, Ag{sub 3}PO{sub 4} nanocrystals are successfully deposited on monoclinic olive-like BiVO{sub 4} via in situ precipitation method. The as-synthesized samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), photoluminescence (PL) spectra, and UV–vis diffuse reflectance spectra (DRS). The photocatalytic activities of the catalysts are evaluated by degradation of rhodamine B (RhB) and methylene blue (MB) under visible light (≥420 nm) irradiation. The experimental results suggest that catalytic activity of the composite photocatalysts is greatly influenced by the loading level of Ag{sub 3}PO{sub 4}. The molar ratio of 0.8:1.0 Ag{sub 3}PO{sub 4}-loaded BiVO{sub 4} exhibits higher photocatalytic activity in both the decolorization of RhB and MB than that of individual BiVO{sub 4} and P25. The observed improvement in photocatalytic activity is associated with the extended absorption in the visible light region resulting from the Ag{sub 3}PO{sub 4} nanoparticles, and the effective separation of photogenerated carriers at the Ag{sub 3}PO{sub 4}/BiVO{sub 4} interfaces through the formation of heterojunction structure. The study provides a general and effective method in the fabrication of composite with sound heterojunctions that may show a variety of applications.

  16. Resolution of TBP-H/sub 2/MBP-HDBP-H/sub 3/PO/sub 4/. Application to UO/sub 2/(NO/sub 3/)/sub 2/-TBP, Th(NO/sub 3/)/sub 4/-TBP, and ZrO(NO/sub 3/)/sub 2/-TBP systems. [Separation of dibutyl phosphoric acid, monobutylphosphoric acid and orthophosphoric acid from tri-butylphosphate

    Energy Technology Data Exchange (ETDEWEB)

    Pires, M A.F.; Abrao, A

    1981-04-01

    Several schemes for the separation of dibutylphosphoric acid (HDBP), monobutylphosphoric acid (H/sub 2/MBP) and orthophosphoric acid (H/sub 3/PO/sub 4/) as hydrolytic and radiolytic degradation products from tri-n-butylphosphate (TBP) were studied. For the resolution of a HDBP, H/sub 2/MPB and H/sub 3/PO/sub 4/ mixture in TBP-diluent, or in TBP-diluent-heavy metal nitrate (U-VI, Th-IV or Zr-IV), techniques such as ion exchange chromatography, ion chromatography and separation onto a chromatographic alumina column were investigated. For the identification, determination and analytical resolution following up for the several systems studied, techniques such as refraction index measurement, electrical conductivity measurement, molecular spectrophotometry and gas chromatography were applied. Special emphasis was given to the separation using alumina column where the HDBP acid was retained and eluted selectively for its separation from TBP-varsol-uranyl nitrate mixtures. This analytical procedure was applied to the samples coming from the Uranium Purification Pilot Plant in operation at the Centro de Engenharia Quimica (IPEN).

  17. Transformation from Ag@Ag{sub 3}PO{sub 4} to Ag@Ag{sub 2}SO{sub 4} hybrid at room temperature: preparation and its visible light photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Ting; Gao, Shanmin, E-mail: gaosm@ustc.edu; Wang, Qingyao; Xu, Hui [Ludong University, College of Chemistry and Materials Science (China); Wang, Zeyan; Huang, Baibiao, E-mail: bbhuang@sdu.edu.cn; Dai, Ying [Shandong University, State Key Laboratory of Crystal Materials (China)

    2017-02-15

    In the present study, Ag/Ag{sub 2}SO{sub 4} hybrid photocatalysts were obtained via a facile redox–precipitation reaction approach by using Ag@Ag{sub 3}PO{sub 4} nanocomposite as the precursor and KMnO{sub 4} as the oxidant. Multiple techniques, such as X-ray diffraction pattern (XRD), transmission electron microscope (TEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), UV–vis diffuse reflectance spectroscopy (DRS) and Brunauer–Emmett–Teller (BET), photocurrent and electrochemical impedance spectroscopy (EIS), were applied to investigate the structures, morphologies, optical, and electronic properties of as-prepared samples. The photocatalytic activities were evaluated by photodegradation of organic rhodamine B (RhB) and methyl orange (MO) under visible light irradiation. It was found that pure Ag{sub 2}SO{sub 4} can partially transform into metallic Ag during the photocatalytic degradation of organic pollutants, but the Ag/Ag{sub 2}SO{sub 4} hybrids can maintain its structure stability and show enhanced visible light photocatalytic activity because of the surface plasma resonance effect of the metallic Ag.

  18. pO{sub 2} Fluctuation Pattern and Cycling Hypoxia in Human Cervical Carcinoma and Melanoma Xenografts

    Energy Technology Data Exchange (ETDEWEB)

    Ellingsen, Christine; Ovrebo, Kirsti Marie; Galappathi, Kanthi; Mathiesen, Berit [Radiation Biology and Tumor Physiology Group, Department of Radiation Biology, Institute for Cancer Research, Oslo University Hospital, Oslo (Norway); Rofstad, Einar K., E-mail: einar.k.rofstad@rr-research.no [Radiation Biology and Tumor Physiology Group, Department of Radiation Biology, Institute for Cancer Research, Oslo University Hospital, Oslo (Norway)

    2012-07-15

    Purpose: Blood perfusion in tumors is spatially and temporally heterogeneous, resulting in local fluctuations in tissue oxygen tension (pO{sub 2}) and tissue regions showing cycling hypoxia. In this study, we investigated whether the pO{sub 2} fluctuation pattern and the extent of cycling hypoxia differ between tumor types showing high (e.g., cervical carcinoma xenograft) and low (e.g., melanoma xenograft) fractions of connective tissue-associated blood vessels. Methods and Materials: Two cervical carcinoma lines (CK-160 and TS-415) and two melanoma lines (A-07 and R-18) transplanted into BALB/c nu/nu mice were included in the study. Tissue pO{sub 2} was measured simultaneously in two positions in each tumor by using a two-channel OxyLite fiber-optic oxygen-sensing device. The extent of acute and chronic hypoxia was assessed by combining a radiobiological and a pimonidazole-based immunohistochemical assay of tumor hypoxia. Results: The proportion of tumor regions showing pO{sub 2} fluctuations, the pO{sub 2} fluctuation frequency in these regions, and the relative amplitude of the pO{sub 2} fluctuations were significantly higher in the melanoma xenografts than in the cervical carcinoma xenografts. Cervical carcinoma and melanoma xenografts did not differ significantly in the fraction of acutely hypoxic cells or the fraction of chronically hypoxic cells. However, the ratio between fraction of acutely hypoxic cells and fraction of chronically hypoxic cells was significantly higher in melanoma than in cervical carcinoma xenografts. Conclusions: Temporal heterogeneity in blood flow and tissue pO{sub 2} in tumors may depend on tumor histology. Connective tissue surrounding microvessels may stabilize blood flow and pO{sub 2} and, thus, protect tumor tissue from cycling hypoxia.

  19. 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.).

  20. 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)

  1. Chemical interaction between Ba{sub 2}YCu{sub 3}O{sub 6+x} and CeO{sub 2} at pO{sub 2}=100 Pa

    Energy Technology Data Exchange (ETDEWEB)

    Wong-Ng, W.; Yang, Z.; Cook, L.P.; Huang, Q.; Frank, J. [Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, MD (United States); Kaduk, J.A. [BP-Amoco Research, Naperville, IL (United States)

    2005-07-01

    Chemical interaction between the Ba{sub 2}YCu{sub 3}O{sub 6+x} superconductor and the CeO{sub 2} buffer layers employed in coated conductor architectures has been modeled experimentally by investigating phase equilibria on the Ba{sub 2}YCu{sub 3}O{sub 6+x}-CeO{sub 2} join at pO{sub 2}=100 Pa. This join is actually a non-binary join within the BaOY{sub 2}O{sub 3}CeO{sub 2}CuO{sub x} quaternary system. At an approximate mole ratio of Ba{sub 2}YCu{sub 3}O{sub 6+x}:CeO{sub 2} = 40:60, a phase boundary was found to separate two four-phase regions. At the Ba{sub 2}YCu{sub 3}O{sub 6+x}-rich side of the join, the four-phase region consists of Ba{sub 2}YCu{sub 3}O{sub 6+x}, Ba(Ce{sub 1-z}Y{sub z})O{sub 3-x}, BaY{sub 2}CuO{sub 5}, and Cu{sub 2}O; at the CeO{sub 2} rich side, the four phases were determined to be Ba(Ce{sub 1-z}Y{sub z})O{sub 3-x}, BaY{sub 2}CuO{sub 5}, Cu{sub 2}O and CeO{sub 2}. At 810 C and pO{sub 2}=100 Pa, there appears to be negligible solid solution formation of the types Y{sub 1-z}Ce{sub z}O{sub 3-x} and Ce{sub 1-z}Y{sub z}O{sub 2-x}. The minimum melting temperature along the Ba{sub 2}YCu{sub 3}O{sub 6+x}-CeO{sub 2} join was determined to be {approx} 860 C. As part of this study, phase diagrams of the subsystems CeO{sub 2}-Y{sub 2}O{sub 3}-CuO{sub x}, BaO-CeO{sub 2}-CuO{sub x}, and BaO-Y{sub 2}O{sub 3}-CeO{sub 2} were also determined at 810 C under 100 Pa pO{sub 2}. The Y{sub 2}O{sub 3}-CeO{sub 2}-CuO{sub x} diagram does not contain ternary phases and shows a tie-line from Y{sub 2}O{sub 3} to the binary phase Y{sub 2}Cu{sub 2}O{sub 5-x}. Similarly, the BaO-CeO{sub 2}-CuO{sub x} diagram contains no ternary phases, but has four tie-lines originating from BaCeO{sub 3} to Ba{sub 2}CuO{sub 3+x}, BaCuO{sub 2+x}, BaCu{sub 2}O{sub 2+x} and CuO{sub x}. The BaO-Y{sub 2}O{sub 3}-CeO{sub 2} system contains one ternary phase, the solid solution Ba(Ce{sub 1-z}Y{sub z})O{sub 3-x} (0{<=}z{<=}0.13), which crystallizes with the orthorhombic space group Pmcn (No. 62

  2. 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.

  3. Photodegradation of ethyl paraben using simulated solar radiation and Ag{sub 3}PO{sub 4} photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Frontistis, Zacharias [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece); Antonopoulou, Maria [Department of Environmental & Natural Resources Management, University of Patras, 2 Seferi St., GR-30100 Agrinio (Greece); Petala, Athanasia [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece); Venieri, Danae [School of Environmental Engineering, Technical University of Crete, Polytechneioupolis, GR-73100 Chania (Greece); Konstantinou, Ioannis [Department of Environmental & Natural Resources Management, University of Patras, 2 Seferi St., GR-30100 Agrinio (Greece); Department of Chemistry, University of Ioannina, GR-45110 Ioannina (Greece); Kondarides, Dimitris I. [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece); Mantzavinos, Dionissios, E-mail: mantzavinos@chemeng.upatras.gr [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece)

    2017-02-05

    Highlights: • Ag{sub 3}PO{sub 4} with a bandgap of 2.4 eV is a photocatalyst highly responsive to visible. • Factorial design was used to assess important factors for ethyl paraben degradation. • Ethyl paraben and Ag{sub 3}PO{sub 4} concentration, time, water matrix are significant factors. • Dealkylated and decarboxylated transformation by-products have been identified. • All parabens are slightly estrogenic compared to estradiol. - Abstract: In this work, the solar light-induced photocatalytic degradation of ethyl paraben (EP), a representative of the parabens family, was studied using silver orthophosphate, a relatively new photocatalytic material. The catalyst was synthesized by a precipitation method and had a primary crystallite size of ca 70 nm, specific surface area of 1.4 m{sup 2}/g and a bandgap of 2.4 eV. A factorial design methodology was implemented to evaluate the importance of EP concentration (500–1500 μg/L), catalyst concentration (100–500 mg/L), reaction time (4–30 min), water matrix (pure water or 10 mg/L humic acid) and initial solution pH (3–9) on EP removal. All individual effects but solution pH were statistically significant and so were the second-order interactions of EP concentration with reaction time or catalyst concentration. The water matrix effect was negative (all other effects were positive) signifying the role of humic acid as scavenger of the oxidant species. Liquid chromatography-time of flight mass spectrometry revealed the formation of methyl paraben, 4-hydroxybenzoic acid, benzoic acid and phenol as primary transformation by-products; these are formed through dealkylation and decarboxylation reactions initiated primarily by the photogenerated holes. Estrogenicity assays showed that methyl paraben was more estrogenic than EP; however, parabens are slightly estrogenic compared to 17β-estradiol.

  4. 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.

  5. Experimental investigation of the EPR parameters and molecular orbital bonding coefficients for VO{sup 2+} ion in NaH{sub 2}PO{sub 42H{sub 2}O single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kalfaoğlu, Emel [Ondokuz Mayıs University, Faculty of Sciences, Department of Physics, 55139 Kurupelit-Samsun (Turkey); Karabulut, Bünyamin, E-mail: bbulut@omu.edu.tr [Ondokuz Mayıs University, Faculty of Engineering, Department of Computer Engineering, 55139 Kurupelit-Samsun (Turkey)

    2016-09-15

    Electron paramagnetic resonance (EPR) spectra of VO{sup 2+} ions in NaH{sub 2}PO{sub 42H{sub 2}O single crystal have been studied. The spin-Hamiltonian parameters and molecular orbital bonding coefficients were calculated. The angular variation of the EPR spectra shows two different VO{sup 2+} complexes. These are located in different chemical environment and each environment contains four magnetically inequivalent VO{sup 2+} sites. The crystal field around VO{sup 2+} ion is approximately axially symmetric since a strong V=O bond distorts the crystal lattice. Spin Hamiltonian parameters and molecular orbital bonding coefficients were calculated from the EPR data and the nature of bonding in the complex was discussed together.

  6. 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.

  7. Quaternary (liquid + liquid) equilibria of aqueous two-phase polyethylene glycol, poly-N-vinylcaprolactam, and KH{sub 2}PO{sub 4}: Experimental and the generalized Flory-Huggins theory

    Energy Technology Data Exchange (ETDEWEB)

    Foroutan, Masumeh [Department of Physical Chemistry, Faculty of Chemistry, College of Science, University of Tehran, Enghelab Ave., Tehran 14155-6455 (Iran, Islamic Republic of)], E-mail: foroutan@khayam.ut.ac.ir; Zarrabi, Mona [Department of Physical Chemistry, Faculty of Chemistry, College of Science, University of Tehran, Enghelab Ave., Tehran 14155-6455 (Iran, Islamic Republic of)

    2008-06-15

    A quaternary (liquid + liquid) equilibrium study was performed to focus attention on the interaction parameters between poly-N-vinylcaprolactam (PVCL) and poly-ethylene glycol (PEG) as well as between other species. At first, the new experimental data of (liquid + liquid) equilibria for aqueous two-phase systems containing PEG, KH{sub 2}PO{sub 4}, and PVCL at T = 303.15 K have been determined. Then the Flory-Huggins theory with two electrostatic terms (the Debye-Huckel and the Pitzer-Debye-Huckel equations) has been generalized to correlate the phase behavior of the quaternary system. Good agreement has been found between experimental and calculated data from both models especially from the Pitzer-Debye-Huckel equation. Also an effort was done to compare the effect of temperature as well as addition of PVCL on the binodal curves of PEG, KH{sub 2}PO{sub 4}, and water. The effect of the type of salt on the binodals has been also studied, and the salting out power of the salts has been determined.

  8. 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.)

  9. Hypoxic Prostate/Muscle PO{sub 2} Ratio Predicts for Outcome in Patients With Localized Prostate Cancer: Long-Term Results

    Energy Technology Data Exchange (ETDEWEB)

    Turaka, Aruna [Department of Radiation Oncology, Fox Chase Cancer Center, Philadelphia, PA (United States); Buyyounouski, Mark K., E-mail: mark.buyyounouski@fccc.edu [Department of Radiation Oncology, Fox Chase Cancer Center, Philadelphia, PA (United States); Hanlon, Alexandra L. [School of Nursing, University of Pennsylvania, Philadelphia, PA (United States); Horwitz, Eric M. [Department of Radiation Oncology, Fox Chase Cancer Center, Philadelphia, PA (United States); Greenberg, Richard E. [Department of Surgery, Fox Chase Cancer Center, Philadelphia, PA (United States); Movsas, Benjamin [Department of Radiation Oncology, Henry Ford Hospital, Detroit, MI (United States)

    2012-03-01

    Purpose: To correlate tumor oxygenation status with long-term biochemical outcome after prostate brachytherapy. Methods and Materials: Custom-made Eppendorf PO{sub 2} microelectrodes were used to obtain PO{sub 2} measurements from the prostate (P), focused on positive biopsy locations, and normal muscle tissue (M), as a control. A total of 11,516 measurements were obtained in 57 men with localized prostate cancer immediately before prostate brachytherapy was given. The Eppendorf histograms provided the median PO{sub 2}, mean PO{sub 2}, and % <5 mm Hg or <10 mm Hg. Biochemical failure (BF) was defined using both the former American Society of Therapeutic Radiation Oncology (ASTRO) (three consecutive raises) and the current Phoenix (prostate-specific antigen nadir + 2 ng/mL) definitions. A Cox proportional hazards regression model evaluated the influence of hypoxia using the P/M mean PO{sub 2} ratio on BF. Results: With a median follow-up time of 8 years, 12 men had ASTRO BF and 8 had Phoenix BF. On multivariate analysis, P/M PO{sub 2} ratio <0.10 emerged as the only significant predictor of ASTRO BF (p = 0.043). Hormonal therapy (p = 0.015) and P/M PO{sub 2} ratio <0.10 (p = 0.046) emerged as the only independent predictors of the Phoenix BF. Kaplan-Meier freedom from BF for P/M ratio <0.10 vs. {>=}0.10 at 8 years for ASTRO BF was 46% vs. 78% (p = 0.03) and for the Phoenix BF was 66% vs. 83% (p = 0.02). Conclusions: Hypoxia in prostate cancer (low mean P/M PO{sub 2} ratio) significantly predicts for poor long-term biochemical outcome, suggesting that novel hypoxic strategies should be investigated.

  10. Resolution of the mixture TBP-H/sub 2/ MPB-HDB-PH/sub 3/PO/sub 4/. Application to the systems UO/sub 2/(NO/sub 3/)/sub 2/-TBP, Th(NO/sub 3/)/sub 4/-TBP and ZrO(NO/sub 3/)/sub 2/-TBP

    Energy Technology Data Exchange (ETDEWEB)

    Pires, M A.F.; Abrao, A [Instituto de Pesquisas Energeticas e Nucleares, Sao Paulo (Brazil). Centro de Engenharia Quimica

    1980-01-01

    Tributylphosphate (TBP) is presently the most used extractant for uranium, thorium and zirconium technologies, both for the purification of these elements from their concentrates and for the recovery of heavy metals in the reprocessing of irradiated fuels. Nevertheless, in the presence of phosphoric acid, some degradation products are formed, such as: di-n-butylphosphoric acid (HDBP), monobutylphosphoric ancd (H/sub 2/MBP) and ortophosphoric acid. The accumulation of these degradation products in the organic phase of the liquid-liquid extraction processes is highly undesirable. In order to avoid this problem, the separation of the mixture HDBP, H/sub 2/MBP and H/sub 3/PO/sub 4/ in TBP-dilutent or TBP-diluent-uranyl, thorium of zirconyl nitrate was then studied. Several separation techniques were investigated: adsorption using a cationic resin saturated with U(VI), chromatography in macroporous polymers, chromatography in alumina columns. Refractive index and condutimetric measurements were carried out to follow up the separation processes. The best results were obtained in an alumina column.

  11. 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

  12. 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.

  13. Nitrilotris(methylenephosphonato)potassium K[μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3}H{sub 4}]: Synthesis, structure, and the nature of the K–O chemical bond

    Energy Technology Data Exchange (ETDEWEB)

    Somov, N. V., E-mail: somov@phys.unn.ru [Lobachevsky State University of Nizhni Novgorod (Russian Federation); Chausov, F. F., E-mail: xps@ftiudm.ru [Russian Academy of Sciences, Physical-Technical Institute, Ural Branch (Russian Federation); Zakirova, R. M., E-mail: ftt@udsu.ru [Udmurt State University (Russian Federation)

    2016-07-15

    The crystal structure of nitrilotris(methylenephosphonato)potassium K[μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3}H{sub 4}]—a three-dimensional coordination polymer—was determined. The potassium atom is coordinated by seven oxygen atoms belonging to the six nearest ligand molecules, resulting in distorted monocapped octahedral coordination geometry. The complex contains the four-membered chelate ring K–O–P–O. The K–O chemical bond is predominantly ionic. Meanwhile, the bonds of the potassium atom with some oxygen atoms have a noticeable covalent component. In addition to coordination bonds, the molecules in the crystal packing are linked by hydrogen bonds.

  14. 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.

  15. Effects of sintering process, pH and temperature on chemical durability of Ce{sub 0.5}Pr{sub 0.5}PO{sub 4} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Jiyan; Teng, Yuancheng, E-mail: tyc239@163.com; Huang, Yi; Wu, Lang; Zhang, Kuibao; Zhao, Xiaofeng

    2015-10-15

    The Ce{sub 0.5}Pr{sub 0.5}PO{sub 4} ceramics with high relative density of 99% and small average grain size of 0.15 μm were prepared by hot-pressing at 1150 °C for 2 h. The effects of sintering process, pH values and temperature on the chemical durability of the ceramics were investigated. The results show that normalized elemental leaching rates of Pr (LR{sub Pr}) and Ce (LR{sub Ce}) of the hot-pressed ceramics are slightly lower than that of the ceramics sintered at 1500 °C for 4 h by normal pressure. The LR{sub Pr} and LR{sub Ce} reach the highest values (∼10{sup −3} g m{sup −2} d{sup −1}) when pH = 3, while the LR{sub Pr} and LR{sub Ce} have the lowest values (∼10{sup −7} g m{sup −2} d{sup −1}) when pH = 7. The surface of the ceramic in pH = 3 leachate appears serious corrosion with plenty of pores. The precipitation of low-soluble was formed on sample surface during leaching tests at pH = 9 and 11. - Highlights: • The Ce{sub 0.5}Pr{sub 0.5}PO{sub 4} ceramics with high relative density of 99% and small average grain size of 0.15 µm were prepared by hot-pressing at 1150 ºC for 2 h. • The normalized elemental leaching rates of Pr (LR{sub Pr}) and Ce (LR{sub Ce}) of the hot-pressed ceramics are slightly lower than that of the ceramics sintered at 1500 ºC for 4 h by normal pressure. • The LR{sub Pr} and LR{sub Ce} reach the highest values (∼10{sup −3} g m{sup −2} d{sup −1}) when pH = 3, while the LR{sub Pr} and LR{sub Ce} have the lowest values (∼10{sup −7} g m{sup −2} d{sup −1}) when pH = 7.

  16. High J{sub c} YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} Films via Rapid, Low pO{sub 2} Pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    DAWLEY,JEFFREY T.; CLEM,PAUL G.; SIEGAL,MICHAEL P.; OVERMYER,DONALD L.

    2000-09-21

    In this investigation, YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (YBCO) films were fabricated via a metal acetate, trifluoroacetic acid based sol-gel route, and spin-coat deposited on (100) LaAlO{sub 3} with a focus on maximizing J{sub c}, while minimizing processing time. We demonstrate that the use of a low pO{sub 2} atmosphere during the pyrolysis stage can lead to at least a tetiold reduction in pyrolysis time, compared to a 1 atm. O{sub 2} ambient. High-quality YBCO films on LaAlO{sub 3}, with J{sub c} values up to 3 MA/cm{sup 2} at 77 K, can be routinely crystallized from these rapidly pyrolyzed films.

  17. Fabrication and characterization of mesoporous activated carbon from Lemna minor using one-step H{sub 3}PO{sub 4} activation for Pb(II) removal

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yang, E-mail: zzsfxyhy@163.com; Li, Shunxing; Lin, Haibin; Chen, Jianhua

    2014-10-30

    Graphical abstract: - Highlights: • Activated carbon was prepared from Lemna minor using H{sub 3}PO{sub 4} activation. • Materials have higher mesoporosity (92.2%) and more oxygen and nitrogen-containing functional groups. • Materials can remove Pb(II) rapidly with monolayer adsorption capacity (170.9 mg/g). • The adsorption process fitted to Langmuir isotherm and pseudo-first-order kinetic. • Materials could be used as an economical, efficient adsorbent to remove Pb(II) ions. - Abstract: A low cost and locally available material, Lemna minor, was used to fabricate activated carbon using H{sub 3}PO{sub 4} activation. After H{sub 3}PO{sub 4} activation, the L. minor activated carbons (LACs) possess high mesoporosity (92.2%) and a surface area of 531.9 m{sup 2}/g according to Brunauer–Emmett–Teller (BET) analysis. Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectrometer (XPS) analyses reveal the presence of rich hydroxyl, carboxyl, amide and phosphate functional groups on the LACs surface, leading to facile Pb(II) binding to the surface through strong chemisorptive bonds or ion-exchange. The kinetic and equilibrium data were well described by pseudo-first-order model and Langmuir isotherm, with the maximum monolayer adsorption capacity (q{sub m}) 170.9 mg/g at 25 °C. The intra-particle diffusion mechanism was partially responsible for the adsorption. The adsorption process was spontaneous and endothermic with negative ΔG and positive ΔH. The Pb(II)-loaded LACs could be easily regenerated using 0.1-M HCl and reused for seven cycles without significant adsorption capacity reduction. The maximum percentage removal rate for Pb(II) (20 mg/L) was found to be 91.8% within 30 min, at optimum conditions of pH 6.0 and 25 °C. These suggested that the low-cost LACs could be used as a potential adsorbent in the treatment of lead-contaminated water.

  18. Synergistic inhibition effect of 5-aminotetrazole and 4,6-dihydroxypyrimidine on the corrosion of cold rolled steel in H{sub 3}PO{sub 4} solution

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xianghong, E-mail: xianghong-li@163.com [Yunnan Key Laboratory of Wood Adhesives and Glue Products, Southwest Forestry University, Kunming 650224 (China); Faculty of Science, Southwest Forestry University, Kunming 650224 (China); Deng, Shuduan [Yunnan Key Laboratory of Wood Adhesives and Glue Products, Southwest Forestry University, Kunming 650224 (China); Xie, Xiaoguang [School of Chemical Science and Technology, Yunnan University, Kunming 650091 (China); Du, Guanben [Yunnan Key Laboratory of Wood Adhesives and Glue Products, Southwest Forestry University, Kunming 650224 (China)

    2016-09-15

    The synergistic inhibition effect of 5-aminotetrazole (AT) and 4,6-dihydroxypyrimidine (DHP) on the corrosion of cold rolled steel (CRS) in H{sub 3}PO{sub 4} solution was studied by weight loss, potentiodynamic polarization curves, electrochemical impedance spectroscopy (EIS), scanning electron microscope (SEM), quantum chemical calculation and molecular dynamics (MD) methods. The results show that AT exhibits a moderate inhibitive effect, and DHP has a poor effect. However, incorporation AT with DHP significantly improves the inhibitive performance, and yields synergism. The adsorption of AT in the absence and presence of DHP obeys Langmuir adsorption isotherm. AT/DHP mixture acts as a mixed-type inhibitor. The combined AT and DHP molecules co-adsorb on the Fe (001) surface in the nearly flat manner, and the adsorption energy is larger than individual AT or DHP. - Highlights: • There is a synergistic inhibition effect of AT and DHP for steel in H{sub 3}PO{sub 4} solution. • The adsorption of AT whether it is mixed with DHP or not obeys Langmuir isotherm. • The AT/DHP mixture behaves as a mixed-type inhibitor. • E{sub HOMO} increases and E{sub LUMO} decreases in the combined AT and DHP. • AT and DHP co-adsorb on Fe (001) surface with the nearly flat manner.

  19. Properties measurements of (U{sub 0.7}Pu{sub 0.3})O{sub 2-x} in PO{sub 2}-controlled atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Kato, M.; Murakami, T.; Sunaoshi, T. [Advanced Nuclear System Research and Development Directorate, Japan Atomic Energy Agency, Muramatsu Tokai-mura Ibaraki, 319-1194 (Japan); Nelson, A.T.; McClellan, K.J. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2013-07-01

    The investigation of physical properties of uranium and plutonium mixed oxide (MOX) fuels is important for the development of fast reactor fuels. It is well known that MOX is a nonstoichiometric oxide, and the physical properties change drastically with the Oxygen-to-Metal (O/M) ratio. A control technique for O/M ratio was established for measurements of high temperature properties of uranium and plutonium mixed oxide fuels. Sintering behavior, thermal expansion and O/M change of (U{sub 0.7}Pu{sub 0.3})O{sub 2.00} and (U{sub 0.7}Pu{sub 0.3})O{sub 1.99} were investigated in PO{sub 2}-controlled atmosphere which was controlled by H{sub 2}/H{sub 2}O gas system. Sintering behavior changed drastically with O/M ratio, and shrinkage of (U{sub 0.7}Pu{sub 0.3})O{sub 2.00} was faster and more advanced at lower temperatures as compared with (U{sub 0.7}Pu{sub 0.3})O{sub 1.99}. Thermal expansion was observed to be slightly increased with decreasing O/M ratio. (authors)

  20. Macroscopic and microscopic defects and nonlinear optical properties of KH{sub 2}PO{sub 4} crystals with embedded TiO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Grachev, Valentin G.; Vrable, Ian A.; Malovichko, Galina I. [Physics Department, Montana State University, Bozeman, Montana 59717 (United States); Pritula, Igor M.; Bezkrovnaya, Olga N.; Kosinova, Anna V. [Institute for Single Crystals, NAS of Ukraine, Kharkiv (Ukraine); Yatsyna, Vasyl O.; Gayvoronsky, Vladimir Ya. [Institute of Physics, NAS of Ukraine, 03680 Kiev (Ukraine)

    2012-07-01

    Results from the successful growth of high quality KH{sub 2}PO{sub 4} (KDP) crystals with incorporated TiO{sub 2} anatase nanoparticles and the characterization of these crystals using several complementary methods are presented. The study allowed the nature and distribution of macroscopic and microscopic defects in the KDP:TiO{sub 2} crystals to be clarified. The relationship between these defects and the distribution of TiO{sub 2} nanoparticles, and the influence of incorporated nanoparticles on the nonlinear optical properties of composite crystals in comparison with pure crystals were also elucidated. Visual observations, transmission and scanning electron microscopy have shown that the anatase nanoparticles were captured mainly by the pyramidal growth sector and, to a considerably lesser extent, by the prismatic growth sector. Energy dispersive x-ray analysis was able to confirm that the growth layer stacks contain the TiO{sub 2} particles. Fourier transformation infrared spectra have clearly shown the presence of an absorption band at about 800 cm{sup -1} in both KDP:TiO{sub 2} and TiO{sub 2}, and the disappearance of the band, associated with hydroxyl OH{sup -} groups on the TiO{sub 2} surface in KDP:TiO{sub 2}. Significant variation in the imaginary and real parts of the cubic nonlinear optical susceptibilities and refractive index changes at continuous wave excitation were found in prism and pyramid parts of pure KDP and KDP:TiO{sub 2} samples. Deciphering complicated electron paramagnetic resonance spectra in KDP:TiO{sub 2} and comparison with published data permitted the identification of paramagnetic defects along with their associated g-factors and zero-field splitting parameters (in some cases for the first time). It was found that the dominant lines belong to four different centers Fe{sub A}{sup 3+}, Fe{sub B}{sup 3+}, Cr{sub R}{sup 3+}, and Cr{sub GB}{sup 3+}. From analysis of line intensities it was concluded that the concentration of intrinsic

  1. 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.

  2. 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.

  3. Study of the influence of the amount of PBI-H{sub 3}PO{sub 4} in the catalytic layer of a high temperature PEMFC

    Energy Technology Data Exchange (ETDEWEB)

    Lobato, Justo; Canizares, Pablo; Rodrigo, Manuel A.; Linares, Jose J.; Pinar, F. Javier [Chemical Engineering Department, Enrique Costa Building, University of Castilla-La Mancha, Av. Camilo Jose Cela, n 12, 13071, Ciudad Real (Spain)

    2010-02-15

    The influence of the amount of polybenzimidazole (PBI)-H{sub 3}PO{sub 4} (normalized with respect to the PBI loading, which expressed as C/PBI weight ratio) content in both the anode and cathode has been studied for a PBI-based high temperature proton exchange membrane (PEM) fuel cell. The electrodes prepared with different amounts of PBI have been characterized physically, by measuring the pore size distribution, and visualizing the surface microstructure. Afterwards, the electrochemical behaviour of the electrodes has been evaluated. The catalytic electrochemical activity has been measured by voltamperometry for each electrode prepared with a different PBI content, and the cell performance results have been studied, supported by the impedance spectra, in order to determine the influence of the PBI loading in each electrode. The best results have been achieved with a C/PBI weight ratio of 20, for both the anode and the cathode. A lower C/PBI weight ratio (larger amount of PBI in the catalytic layer) reduced the electrocatalytic activity, and impaired the mass transport processes, due to the large amount of polymer covering the catalyst particle, lowering the cell performance. A higher C/PBI weight ratio (lower amount of PBI in the catalytic layer) reduced the electrocatalytic activity, and slightly increased the ohmic resistance. The low amount of the polymeric ionic carrier PBI-H{sub 3}PO{sub 4} limited the proton mobility, despite of the presence of large amounts of ''free'' H{sub 3}PO{sub 4} in the catalytic layer. (author)

  4. Synthesis and structure of heptaaqua(nitrilotris(methylenephosphonato))(dibarium)sodium monohydrate [Na(H{sub 2}O){sub 3}(μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3})(μ-H{sub 2}O){sub 3}Ba{sub 2}(H{sub 2}O)] · H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Somov, N. V., E-mail: somov@phys.unn.ru [Lobachevsky State University of Nizhny Novgorod (Russian Federation); Chausov, F. F., E-mail: xps@ftiudm.ru [Russian Academy of Sciences, Physical–Technical Institute, Ural Branch (Russian Federation); Zakirova, R. M., E-mail: ftt@udsu.ru [Udmurt State University (Russian Federation)

    2017-03-15

    Crystals of the monohydrate form of heptaaqua(nitrilotris(methylenephosphonato))(dibarium) sodium [Na(H{sub 2}O{sub )3}(µ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3})(µ-H{sub 2}O){sub 3}Ba{sub 2}(H{sub 2}O)] · H{sub 2}O are obtained; space group P2{sub 1}/c, Z = 4; a = 13.9117(10) Å, b = 11.54030(10) Å, and c = 24.1784(17) Å, ß = 148.785(18)°. The Na atom is coordinated octahedrally by one oxygen atom of a phosphonate group and five water molecules, including two bridging molecules. Ba atoms occupy two inequivalent crystallographic positions with coordination number eight and nine. The coordination spheres of both Ba atoms include two water molecules. Each ligand is bound to one Na atom and five Ba atoms forming three Ba–O–P–O and five Ba–O–P–C–N–C–P–O chelate cycles. In addition to the coordination bonds, molecules, including the solvate water molecule, are involved in hydrogen bonds in the crystal packing.

  5. 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.

  6. Translocation of {sup 14}C-Labelled Substances and {sup 32}PO{sub 4} in Mistletoe-Infected and Uninfected Conifers and Dicotyledonous Trees

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, O. A.; Hull, R. J. [University of California, Davis, CA (United States)

    1966-05-15

    Translocation studies, employing autoradiographic techniques, were conducted on eight dwarf mistletoe (Arceuthobium) infected hosts and eight green mistletoe (Phoradendron) infected hosts and uninfected hosts. These studies were conducted in the field at different seasons of the year over a 4-yr period. It was necessary to overcome the problem of pseudo-autoradiographs, especially prominent with conifers. These were overcome by using special film materials, such as Saran Wrap; this film excluded about 50% of the beta radiation. Translocation was studied using labelled substances applied to the host foliage, bark, wood, and mistletoe shoots. Labelled substances employed were {sup 14}CO{sub 2} (applied to host foliage and mistletoe shoots), {sup 14}C-labelled herbicides and {sup 32}PO{sub 4}. Phloem mobile substances translocated from the hosts into infecting dwarf mistletoes but not into green mistletoes. When the host branches were defoliated, phloem mobile Substances moved into them during the growing season. When dormant, very little transport into defoliated branches occurred, except when they were infected with dwarf mistletoes; in the latter situation, import was considerable into such branches and also into the infecting mistletoes. Phloem mobile substances in dwarf mistletoes migrated always in an apical direction, accumulating in the nodes, flowers, and fruit. In no instance was there any evidence of any basipetal transport (labelled assimilates 2,4-dichlorophenoxyacetic acid, 2, 4, 5-trichlorophenoxyacetic acid, 3-amino-1, 2,4-triazole, 2-chloro-4-ethylamino-6-isopropylamino-1, 3, 5-triazine, 1,1'-dimethyl-4,4',-bipyridylium-2A, urea and {sup 32}PO{sub 4}). In contrast to this, the green mistletoes moved substances within them in much the same manner as normal green plants; however, phloem mobile substances did not migrate significantly out of the endophytic system into the hosts, even when the host branches were defoliated. Xylem application was the most

  7. Microsphere LiFe{sub 0.5}Mn{sub 0.5}PO{sub 4}/C composite as high rate and long-life cathode material for lithium-ion battery

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Chun-Chen, E-mail: ccyang@mail.mcut.edu.tw [Department of Chemical Engineering, Ming Chi University of Technology, New Taipei City 243, Taiwan, ROC (China); Battery Research Center of Green Energy, Ming Chi University of Technology, New Taipei City 243, Taiwan, ROC (China); Chen, Wei-Houng [Department of Chemical Engineering, Ming Chi University of Technology, New Taipei City 243, Taiwan, ROC (China)

    2016-04-15

    LiFe{sub 0.5}Mn{sub 0.5}PO{sub 4}/C composite material (denoted as SP-LFMP/C) with macro/nano hierarchical porous structure by adding the composite carbon source (i.e., 100 nm polystyrene sphere and 300 nm carbon sphere) is fabricated via a spray dry process. The SP-LFMP/C composite exhibits a 3D hierarchical structure with a high surface area (34.63 m{sup 2} g{sup −1}) and a wide pore size distribution (2–100 nm). The characteristic properties of the samples are examined using X-ray diffraction, micro-Raman spectroscopy, scanning electron microscopy, high-resolution transmission electron microscopy, electrochemical impedance spectroscopy, and galvanostatic charge–discharge tests. The SP-LFMP/C composite achieves discharge capacities of 161, 160, 157, 146, 137, and 115 mAh g{sup −1} at 0.2, 0.5, 1, 3, 5, and 10 C, respectively. Moreover, the SP-LFMP/C material also exhibits excellent cycling performance and stability at 55 °C during the 300 cycle test. These results indicate that the SP-LFMP/C cathode material is an excellent candidate for application in high-energy Li-ion batteries. - Highlights: • A microsphere LiFe{sub 0.5}Mn{sub 0.5}PO{sub 4}/C composite is prepared by a spray drying process. • The composite material shows a mesoporous 3D structure with a high surface area. • The SP-LFMP composite exhibits excellent high rate capability. • The SP-LFMP/C composite shows much higher tap density of 1.33 g cm{sup −3}.

  8. 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.

  9. Crystallization and magnetic properties of a 10Li{sub 2}O–9MnO{sub 2}–16Fe{sub 2}O{sub 3}–25CaO–5P{sub 2}O{sub 5}–35SiO{sub 2} glass

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Cheng, Huy-Zu [Department of Materials Science and Engineering, I-Shou University, 1 123456789Hsueh-Cheng Road, Section 1, Ta-Hsu, Kaohsiung 84001, Taiwan (China); Lin, Huey-Jiuan [Department of Materials Science and Engineering, National United University, 1 Lien-Da Road, Kung-Ching Li, Miao-Li 36003, Taiwan (China); Wang, Chien-Fu [Department of Materials Science and Engineering, I-Shou University, 1 123456789Hsueh-Cheng Road, Section 1, Ta-Hsu, Kaohsiung 84001, Taiwan (China); Hsi, Chi-Shiung, E-mail: chsi@nuu.edu.tw [Department of Materials Science and Engineering, National United University, 1 Lien-Da Road, Kung-Ching Li, Miao-Li 36003, Taiwan (China)

    2013-06-15

    The crystallization behavior and magnetic properties of 10Li{sub 2}O–9MnO{sub 2}–16Fe{sub 2}O{sub 3}–25CaO–5P{sub 2}O{sub 5}–35SiO{sub 2} (10LFS) glass have been studied using differential thermal analysis (DTA), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectrometry (EDS), transmission electron microscopy (TEM) and selected area electron diffraction (SAED) to observe the crystallization behavior and a superconducting quantum interference device (SQUID) for measurements of the magnetic properties. The DTA shows that the 10LFS glass has one broad exothermic peak at approximately 674 °C and one sharp (the highest) exothermic peak at 764 °C. When the 10LFS glass crystallized at 850 °C for 4 h, the crystalline phases identified by XRD were lithium silicate (Li{sub 2}SiO{sub 3}), β-wollastonite (β-CaSiO{sub 3}), lithium orthophosphate (Li{sub 3}PO{sub 4}), magnetite (FeFe{sub 2}O{sub 4}) and triphylite (Li(Mn{sub 0.5}Fe{sub 0.5})PO{sub 4}). The SEM surface analysis revealed that the β-wollastonite and lithium silicate have a lath morphology. The TEM microstructure examination showed that the largest FeFe{sub 2}O{sub 3} particles have a size of approximately 0.3 μm. When the 10LFS glass was heat treated at 850 °C for 16 h and a magnetic field of 1000 Oe was applied, a very small remnant magnetic induction of 0.01 emu g{sup −1} and a coercive force of 50 Oe were obtained, which revealed an inverse spinel structure. - Highlights: ► The phases formed at 850 °C in the 10LFS glass-ceramics are LiSiO{sub 3}, β-CaSiO{sub 3}, Li{sub 3}PO{sub 4}, FeFe{sub 2}O{sub 4} and Li(Mn{sub 0.5}Fe{sub 0.5})PO{sub 4}. ► The β-wollastonite and lithium silicate have a lath morphology. ► When 10LFS glass-ceramics applied magnetic field showing the ferromagnetic behavior of an inverse spinel structure.

  10. Electrochemical detection of volatile organic compounds using a Na{sub 3}Zr{sub 2}Si{sub 2}PO{sub 12}/Bi{sub 2}Cu{sub 0.1}V{sub 0.9}O{sub 5.35} heterojunction device

    Energy Technology Data Exchange (ETDEWEB)

    Kida, Tetsuya, E-mail: kida@mm.kyushu-u.ac.jp [Department of Energy and Material Sciences, Faculty of Engineering Sciences, Kyushu University, Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Morinaga, Naoki; Kishi, Shotaro [Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Science, Kyushu University, Kasuga-Koen 6-1, Kasuga, Fukuoka 816-8580 (Japan); An, Ki-Mun; Sim, Kyoung-Won; Chae, Bu-Young [Department of Materials Science and Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Kim, Jung-kwan [Education Center for Green Industry-friendly Fusion Technology (GIFT), Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Ryu, Bong-Ki [Department of Materials Science and Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Shimanoe, Kengo [Department of Energy and Material Sciences, Faculty of Engineering Sciences, Kyushu University, Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan)

    2011-09-01

    Highlights: > A device combining a sodium ion conductor of NASICON (Na{sub 3}Zr{sub 2}Si{sub 2}PO{sub 12}) with an oxygen ion conductor of BiCuVOx (Bi{sub 2}Cu{sub 0.1}V{sub 0.9}O{sub 5.35}) was fabricated. > The device can electrochemically detect volatile organic compounds (VOCs). > The electrochemical oxidation of VOCs with oxide ions occurred as the sensing reaction. > The formation of an oxygen ion-conductive layer at the interface between NASICON and BiCuVOx was suggested. - Abstract: A fast sodium ion conductor, NASICON (Na{sub 3}Zr{sub 2}Si{sub 2}PO{sub 12}), has been widely used for gas sensor applications. In this study, we demonstrate that a device combining NASICON with an oxygen-ion conductor of BiCuVOx (Bi{sub 2}Cu{sub 0.1}V{sub 0.9}O{sub 5.35}) can electrochemically detect volatile organic compounds (VOCs), such as ethanol, formaldehyde, and toluene. The sensing electrode made of BiCuVOx was attached onto a sintered NASICON disk at high temperature to produce an interfacial layer that had a different morphology and composition from those of NASICON and BiCuVOx, as observed by scanning electron microscopy-energy dispersive X-ray spectroscopy analysis. The device in which NASICON was fitted with the BiCuVOx-based electrode was found to efficiently detect VOCs in ppm concentrations. The sensor signal (electromotive force) exceeded 100 mV in response to 10 ppm HCOH at 400 deg. C, demonstrating the high sensitivity of the device. It also exhibited a relatively quick response, reproducible and stable sensor signals, and high selectivity to VOCs. The sensor responses followed behavior typical for mixed-potential-type gas sensors based on oxygen-ion conductors. It was thus suggested that the electrochemical oxidation of VOCs with oxide ions took place at the interfacial oxygen ion-conductive layer that was formed by the reaction of NASICON with BiCuVOx.

  11. 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.

  12. 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.

  13. 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+}.

  14. 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.

  15. 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)

  16. Design of selective 8-methylquinolinol based ratiometric Fe{sup 2+} and Fe{sup 3+}/H{sub 2}PO{sub 4}{sup −} fluorescent chemosensor mimicking NOR and IMPLICATION logic gates

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Gurjaspreet, E-mail: gjpsingh@pu.ac.in; Singh, Jandeep; Singh, Jasbhinder; Mangat, Satinderpal Singh

    2015-09-15

    This report describes an on–off module of a fluorescent probe for selectively sensing of Fe(II) and Fe(III) ions by a single chemosensor with unique output optical response and is being reported for the first time. The probe 8-methylquinolinyl-1,2,3-triazolyl silatrane (QTS) was efficiently developed using click silylation route, followed by transetherification of silane. Moreover, the color change in probe QTS by response of this colorimetric sensor can be visualized by naked eye. The anti-quenching response for quenched QTS–Fe{sup 3+} fluorescence spectra by addition of H{sub 2}PO{sub 4}{sup −} ions in the MeOH/H{sub 2}O solvent system results into reversion of fluorescence maximum. These fluctuations in spectral response, under electronic behavior, can be viewed to mimic as NOR and IMPLICATION logic gate. - Highlights: • The probe 8-methylquinolinyl-1,2,3-triazolyl silatrane (QTS) was efficiently developed by using click silylation route. • The fluorescence emission response of sensor QTS towards Fe{sup 3+} ions show 'turn-on' mode, with red shift of 79 nm. • UV–vis spectra illustrate increase in absorption maxima on sensing of both ionic species.

  17. Determination of ultra-short laser induced damage threshold of KH{sub 2}PO{sub 4} crystal: Numerical calculation and experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Jian [Center for Precision Engineering, School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Department of Physics, The Ohio State University, 191 W. Woodruff Ave, Columbus, OH 43210 (United States); Chen, Mingjun, E-mail: chenmj@hit.edu.cn, E-mail: chowdhury.24@osu.edu; Wang, Jinghe; Xiao, Yong [Center for Precision Engineering, School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Kafka, Kyle; Austin, Drake; Chowdhury, Enam, E-mail: chenmj@hit.edu.cn, E-mail: chowdhury.24@osu.edu [Department of Physics, The Ohio State University, 191 W. Woodruff Ave, Columbus, OH 43210 (United States)

    2016-03-15

    Rapid growth and ultra-precision machining of large-size KDP (KH{sub 2}PO{sub 4}) crystals with high laser damage resistance are tough challenges in the development of large laser systems. It is of high interest and practical significance to have theoretical models for scientists and manufacturers to determine the laser-induced damage threshold (LIDT) of actually prepared KDP optics. Here, we numerically and experimentally investigate the laser-induced damage on KDP crystals in ultra-short pulse laser regime. On basis of the rate equation for free electron generation, a model dedicated to predicting the LIDT is developed by considering the synergistic effect of photoionization, impact ionization and decay of electrons. Laser damage tests are performed to measure the single-pulse LIDT with several testing protocols. The testing results combined with previously reported experimental data agree well with those calculated by the model. By taking the light intensification into consideration, the model is successfully applied to quantitatively evaluate the effect of surface flaws inevitably introduced in the preparation processes on the laser damage resistance of KDP crystals. This work can not only contribute to further understanding of the laser damage mechanisms of optical materials, but also provide available models for evaluating the laser damage resistance of exquisitely prepared optical components used in high power laser systems.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-15

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

  19. 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.

  20. Carbons prepared from coffee grounds by H{sub 3}PO{sub 4} activation: Characterization and adsorption of methylene blue and Nylosan Red N-2RBL

    Energy Technology Data Exchange (ETDEWEB)

    Reffas, A. [LCME, Polytech' Savoie, Universite de Savoie, 73376 Le Bourget du Lac Cedex (France); Laboratoire de l' Ingenierie des Procedes, d' Environnement, Departement de Chimie Industrielle, Universite Mentouri, Constantine 25000 (Algeria); Bernardet, V.; David, B.; Reinert, L. [LCME, Polytech' Savoie, Universite de Savoie, 73376 Le Bourget du Lac Cedex (France); Lehocine, M. Bencheikh [Laboratoire de l' Ingenierie des Procedes, d' Environnement, Departement de Chimie Industrielle, Universite Mentouri, Constantine 25000 (Algeria); Dubois, M.; Batisse, N. [LMI, CNRS, Universite Blaise Pascal, 24 Avenue des Landais, 63177 Aubiere Cedex (France); Duclaux, L., E-mail: laurent.duclaux@univ-savoie.fr [LCME, Polytech' Savoie, Universite de Savoie, 73376 Le Bourget du Lac Cedex (France)

    2010-03-15

    Activated carbons were prepared by the pyrolysis of coffee grounds impregnated by phosphoric acid at 450 deg. C for different impregnation ratios: 30, 60, 120 and 180 wt.%. Materials were characterized for their surface chemistry by elemental analysis, 'Boehm titrations', point of zero charge measurements, Infrared spectroscopy, thermogravimetric analysis (TGA); as well as for their porous and morphological structure by Scanning Electron Microscopy (SEM) and nitrogen adsorption at 77 K. The impregnation ratio was found to govern the porous structure of the prepared activated carbons. Low impregnation ratios (<120 wt.%) led to essentially microporous and acidic activated carbons whereas high impregnation ratios (>120 wt.%) yielded to essentially mesoporous carbons with specific surface areas as high as 925 m{sup 2} g{sup -1}, pore volume as large as 0.7 cm{sup 3} g{sup -1}, and neutral surface. The activated carbons prepared from coffee grounds were compared to a commercial activated carbon (S{sub BET} {approx} 1400 m{sup 2} g{sup -1}) for their adsorption isotherms of methylene blue and 'Nylosan Red N-2RBL', a cationic and anionic (azo) dye respectively. The mesoporous structure of the material produced at 180 wt.% H{sub 3}PO{sub 4} ratio was found to be appropriate for an efficient sorption of the latter azo dye.

  1. 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.

  2. Enhanced adsorption of chromium onto activated carbon by microwave-assisted H{sub 3}PO{sub 4} mixed with Fe/Al/Mn activation

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yuanyuan [Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Yue, Qinyan, E-mail: qyyue58@aliyun.com [Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Mao, Yanpeng [School of Energy and Power Engineering, Shandong University, Jinan 250100 (China); Gao, Baoyu; Gao, Yuan; Huang, Lihui [Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China)

    2014-01-30

    Highlights: • FeCl{sub 3}, AlCl{sub 3} and MnCl{sub 2} were used as the assisted activator to produce carbons. • Doping with MnCl{sub 2} was favorable for the enlargement of activated carbon. • The assisted activator had good performance for holding more fixed carbon. • The maximum adsorption capacities followed the order of AC-Fe > AC-Al > AC-Mn > AC. • The XPS analysis was used to confirm the adsorption/transformation mechanism. -- Abstract: FeCl{sub 3}, AlCl{sub 3} and MnCl{sub 2} were used as the assisted activation agent in activated carbon preparation by H{sub 3}PO{sub 4} activation using microwave heating method. The physico-chemical properties of activated carbons were investigated by scanning electron microscope (SEM), N{sub 2} adsorption/desorption, Boehm's titration, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). To investigate the adsorption performances of chromium onto these newly developed activated carbons, a batch of experiments were performed under different adsorption conditions: solution pH, initial Cr(VI) ion concentration, contact time and co-existing ions. The results suggested that carbon with MnCl{sub 2} as assisted activation agent displayed the highest BET surface area (1332 m{sup 2}/g) and the highest pore volume (1.060 cm{sup 3}/g). FeCl{sub 3}, AlCl{sub 3} and MnCl{sub 2} had successfully improved Cr(VI) adsorption and activated carbon with FeCl{sub 3} as assisted activation agent exhibited the best uptake capacity. To study the transformation of Cr(VI) in adsorption process, total chromium in the aqueous solution was also recorded. The ratio of the amount of Cr(VI) to Cr(III) on each adsorbent was explained by XPS analysis results. Both the co-existing salts (Na{sub 2}SO{sub 4} and NaNO{sub 3}) demonstrated promoted effects on Cr(VI) removal by four carbons. The pseudo-second-order model and Freundlich equation displayed a good correlation with

  3. Some redox chemistry of HPO sub 2 sup -. and sup. PO sub 3 sup 2- radicals. A pulse radiolysis study

    Energy Technology Data Exchange (ETDEWEB)

    Packer, J.E. (Brunel Univ., Uxbridge (UK). Dept. of Biochemistry); Anderson, R.F. (Mount Vernon Hospital, Northwood (UK). Gray Lab.)

    1990-01-01

    The HO{sup .} radical oxidises hypophosphite and phosphite anions to HPO{sub 2}{sup -.} and {sup .}PO{sub 3}{sup 2-} respectively, but Br{sub 2}{sup -.} and N{sub 3}{sup .} do not. The rates of oxidation of HPO{sub 2}{sup -.} by a series of oxidising agents of known one electron redox potentials decrease with decreasing potential while the corresponding rates for oxidation of {sup .}PO{sub 3}{sup 2-} remain close to the diffusion controlled limit. {sup .}PO{sub 3}{sup 2-} will oxidise cysteine but HPO{sub 2}{sup -.} does not. {sup .}PO{sub 3}{sup 2-} did not oxidise ABTS, ascorbate, or the anion of the vitamin E analogue, trolox. It reduced traces of TMPD{sup +.} in TMPD rather than oxidising the substrate. The one electron redox potentials for oxidation and reduction of {sup .}PO{sub 3}{sup 2-} are calculated in light of recently published redox data on penicillamine. (author).

  4. Chemical and structural changes in Ln{sub 2}NiO{sub 4+δ} (Ln=La, Pr or Nd) lanthanide nickelates as a function of oxygen partial pressure at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Flura, Aurélien; Dru, Sophie; Nicollet, Clément; Vibhu, Vaibhav; Fourcade, Sébastien; Lebraud, Eric; Rougier, Aline; Bassat, Jean-Marc; Grenier, Jean-Claude, E-mail: grenier@icmcb-bordeaux.cnrs.fr

    2015-08-15

    The chemical stability of lanthanide nickelates Ln{sub 2}NiO{sub 4+δ} (Ln=La, Pr or Nd) has been studied in the temperature range 25–1300 °C, either in air or at low pO{sub 2} (down to 10{sup −4} atm). Thermal gravimetry analysis (TGA) measurements coupled with X-ray diffraction (XRD) characterization have shown that all compounds retain their K{sub 2}NiF{sub 4}-type structure in these conditions, while remaining over-stoichiometric in oxygen up to 1000 °C. Only Nd{sub 2}NiO{sub 4+δ} starts to decompose into Nd{sub 2}O{sub 3} and NiO above 1000 °C, at pO{sub 2}=10{sup −4} atm. In addition, a careful analysis of the lanthanide nickelates structural features has been performed by in situ XRD, as a function of temperature and pO{sub 2}. For all compounds, a structural transition has been always observed in the temperature range 200–400 °C, in air or at pO{sub 2}=10{sup −4} atm. In addition, their cell volume did not vary upon the variation of the oxygen partial pressure. Therefore, these materials do not exhibit a chemical expansion in these conditions, which is beneficial for a fuel cell application as cathode layers. Additional dilatometry measurements have revealed that a temperature as high as 950 °C for Pr{sub 2}NiO{sub 4+δ} or 1100 °C for La{sub 2}NiO{sub 4+δ} and Nd{sub 2}NiO{sub 4+δ} has to be reached in order to begin the sintering of the material particles, which is of primary importance to obtain an efficient electronic/ionic conduction in the corresponding designed cathode layers. Besides, excellent matching was found between the thermal expansion coefficients of lanthanide nickelates and SOFC electrolytes such as 8wt% yttria stabilized zirconia (8YSZ) or Ce{sub 0.8}Gd{sub 0.2}O{sub 2−δ} (GDC), at least from 400 °C up to 1400 °C in air or up to 1200 °C at pO{sub 2}=10{sup −4} atm. - Graphical abstract: This study reports the good chemical stability of oxygen overstoichiometric Ln2NiO4+δ(Ln = La, Pr or Nd) at high temperatures

  5. 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

  6. Beryllium-free β-Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7} as a possible deep-ultraviolet nonlinear optical material replacement for KBe{sub 2}BO{sub 3}F{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tran, T. Thao; Halasyamani, P. Shiv [Department of Chemistry, University of Houston, TX (United States); Koocher, Nathan Z.; Rondinelli, James M. [Department of Materials Science and Engineering, Northwestern University, Evanston, IL (United States)

    2017-03-06

    A new beryllium-free deep-ultraviolet (DUV) nonlinear optical (NLO) material, β-Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7} (β-RABO), has been synthesized and characterized. The chiral nonpolar acentric material shows second-harmonic generation (SHG) activity at both 1064 and 532 nm with efficiencies of 2 x KH{sub 2}PO{sub 4} and 0.4 x β-BaB{sub 2}O{sub 4}, respectively, and exhibits a short absorption edge below 200 nm. β-Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7} has a three-dimensional structure of corner-shared Al(BO{sub 3}){sub 3}O polyhedra. The discovery of β-RABO shows that through careful synthesis and characterization, replacement of KBe{sub 2}BO{sub 3}F{sub 2} (KBBF) by a Be-free DUV NLO material is possible. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Neutron scattering study on cathode LiMn{sub 2}O{sub 4} and solid electrolyte 5(Li{sub 2}O)(P{sub 2}O{sub 5})

    Energy Technology Data Exchange (ETDEWEB)

    Kartini, E., E-mail: kartini@batan.go.id; Putra, Teguh P., E-mail: kartini@batan.go.id; Jahya, A. K., E-mail: kartini@batan.go.id; Insani, A., E-mail: kartini@batan.go.id [Technology Center for Nuclear Industry Materials, National Nuclear Energy Agency, Serpong 15314 (Indonesia); Adams, S. [Department of Materials Science and Engineering, National University of Singapore, Singapore-117576 (Singapore)

    2014-09-30

    Neutron scattering is very important technique in order to investigate the energy storage materials such as lithium-ion battery. The unique advantages, neutron can see the light atoms such as Hydrogen, Lithium, and Oxygen, where those elements are negligible by other corresponding X-ray method. On the other hand, the energy storage materials, such as lithium ion battery is very important for the application in the electric vehicles, electronic devices or home appliances. The battery contains electrodes (anode and cathode), and the electrolyte materials. There are many challenging to improve the existing lithium ion battery materials, in order to increase their life time, cyclic ability and also its stability. One of the most scientific challenging is to investigate the crystal structure of both electrode and electrolyte, such as cathodes LiCoO{sub 2}, LiMn{sub 2}O{sub 4} and LiFePO{sub 4}, and solid electrolyte Li{sub 3}PO{sub 4}. Since all those battery materials contain Lithium ions and Oxygen, the used of neutron scattering techniques to study their structure and related properties are very important and indispensable. This article will review some works of investigating electrodes and electrolytes, LiMn{sub 2}O{sub 4} and 5(Li{sub 2}O)(P{sub 2}O{sub 5}), by using a high resolution powder diffraction (HRPD) at the multipurpose research reactor, RSG-Sywabessy of the National Nuclear Energy Agency (BATAN), Indonesia.

  8. Lipon thin films grown by plasma-enhanced metalorganic chemical vapor deposition in a N{sub 2}-H{sub 2}-Ar gas mixture

    Energy Technology Data Exchange (ETDEWEB)

    Meda, Lamartine, E-mail: LMeda@xula.edu [Department of Chemistry, Xavier University of Louisiana, 1 Drexel Drive, New Orleans, LA, 70125 (United States); Maxie, Eleston E. [Excellatron Solid State LLC, 263 Decatur Street, Atlanta, GA 30312 (United States)

    2012-01-01

    Lithium phosphorus oxynitride (Lipon) thin films have been deposited by a plasma-enhanced metalorganic chemical vapor deposition method. Lipon thin films were deposited on approximately 0.2 {mu}m thick Au-coated alumina substrates in a N{sub 2}-H{sub 2}-Ar plasma at 13.56 MHz, a power of 150 W, and at 180 Degree-Sign C using triethyl phosphate [(CH{sub 2}CH{sub 3}){sub 3}PO{sub 4}] and lithium tert-butoxide [(LiOC(CH{sub 3}){sub 3}] precursors. Lipon growth rates ranged from 10 to 42 nm/min and thicknesses varied from 1 to 2.5 {mu}m. X-ray powder diffraction showed that the films were amorphous, and X-ray photoelectron spectroscopy (XPS) revealed approximately 4 at.% N in the films. The ionic conductivity of Lipon was measured by electrochemical impedance spectroscopy to be approximately 1.02 {mu}S/cm, which is consistent with the ionic conductivity of Lipon deposited by radio frequency magnetron sputtering of Li{sub 3}PO{sub 4} targets in either mixed Ar-N{sub 2} or pure N{sub 2} atmosphere. Attempts to deposit Lipon in a N{sub 2}-O{sub 2}-Ar plasma resulted in the growth of Li{sub 3}PO{sub 4} thin films. The XPS analysis shows no C and N atom peaks. Due to the high impedance of these films, reliable conductivity measurements could not be obtained for films grown in N{sub 2}-O{sub 2}-Ar plasma.

  9. Effects of Fe{sub 2}O{sub 3} content on ionic conductivity of Li{sub 2}O-TiO{sub 2}-P{sub 2}O{sub 5} glasses and glass-ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Mohaghegh, E., E-mail: elnaz.mohaghegh@gmail.com [Department of Materials Science and Engineering, Sharif University of Technology, Tehran, 11155-9466 (Iran, Islamic Republic of); Nemati, A. [Department of Materials Science and Engineering, Sharif University of Technology, Tehran, 11155-9466 (Iran, Islamic Republic of); Eftekhari Yekta, B. [Ceramic Division, School of Metallurgy and Materials Engineering, Iran University of Science and Technology, Tehran, 16846-13114 (Iran, Islamic Republic of); Banijamali, S. [Ceramic Division, Materials & Energy Research Center, Alborz, 31787-316 (Iran, Islamic Republic of)

    2017-04-01

    In this study, Li{sub 2}O-TiO{sub 2}-P{sub 2}O{sub 5}-x(Fe{sub 2}O{sub 3}) (x = 0, 2.5, 5 and 7.5 weight part) glass and glass-ceramics were synthesized through conventional melt-quenching method and subsequently heat treatment. Glass samples were studied by UV–visible spectroscopy and crystallized samples were characterized by differential thermal analysis, X-ray diffractometry and field emission scanning electron microscopy. Besides, electrical properties were examined according to the electrochemical impedance spectroscopy techniques. Experimental optical spectra of the Fe{sub 2}O{sub 3}-doped glasses revealed strong UV absorption band in the range of 330–370 nm, which were attributed to the presence of Fe{sup 3+} ions. The major crystalline phase of the fabricated glass-ceramics was LiTi{sub 2}(PO{sub 4}){sub 3}. However, Li{sub 3}PO{sub 4} was also identified as the minor one. Considering the impedance spectroscopy studies, ionic conductivity of Fe{sub 2}O{sub 3} containing glasses was higher than that of the base glass. Additionally, the maximum bulk ionic conductivity of 1.38 × 10{sup −3} S/cm was achieved as well as activation energy as low as 0.26 eV at room temperature for x = 5. - Highlights: • Bulk and total ionic conductivity was extracted by using impedance spectroscopy. • Ionic conductivity of the studied glasses and glass-ceramics increased with increasing Fe{sub 2}O{sub 3} content. • The highest bulk ionic conductivity at room temperature was found to be 1.38 × 10{sup −3} S/cm for GC{sub 5}.

  10. A high-temperature Raman scattering study of the phase transitions in GaPO{sub 4} and in the AlPO{sub 4}-GaPO{sub 4} system

    Energy Technology Data Exchange (ETDEWEB)

    Angot, E [Laboratoire des Colloides, des Verres et des Nanomateriaux, UMR CNRS 5587, Universite Montpellier II, cc026, Place E Bataillon, F-34095 Montpellier Cedex 5 (France); Parc, R Le [Laboratoire des Colloides, des Verres et des Nanomateriaux, UMR CNRS 5587, Universite Montpellier II, cc026, Place E Bataillon, F-34095 Montpellier Cedex 5 (France); Levelut, C [Laboratoire des Colloides, des Verres et des Nanomateriaux, UMR CNRS 5587, Universite Montpellier II, cc026, Place E Bataillon, F-34095 Montpellier Cedex 5 (France); Beaurain, M [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc003, Place E Bataillon, F-34095 Montpellier Cedex 5 (France); Armand, P [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc003, Place E Bataillon, F-34095 Montpellier Cedex 5 (France); Cambon, O [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc003, Place E Bataillon, F-34095 Montpellier Cedex 5 (France); Haines, J [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc003, Place E Bataillon, F-34095 Montpellier Cedex 5 (France)

    2006-05-03

    Al{sub 1-x}Ga{sub x}PO{sub 4} solid solutions (x = 0.2, 0.3, 0.38, 0.7) and the pure AlPO{sub 4} (x = 0) and GaPO{sub 4} (x = 1) end members with the {alpha}-quartz-type structure were studied by Raman scattering. An investigation as a function of composition enabled the various modes to be assigned, in particular coupled and decoupled vibrations. The tetrahedral tilting modes, which have been linked to high-temperature phase transitions to {beta}-quartz-type forms, were found to be decoupled. In addition, it is shown that Raman spectroscopy is a powerful technique for determining the gallium content of these solid solutions. Single crystals with x = 0.2, 0.38, and 1.0 (GaPO{sub 4}) were investigated at high temperature. The composition Al{sub 0.8}Ga{sub 0.2}PO{sub 4} was found to exhibit sequential transitions upon heating to the {beta}-quartz and {beta}-cristobalite forms at close to 993 K and 1073 K, respectively. Direct {alpha}-quartz-{beta}-cristobalite transitions were observed for the two other compositions at close to 1083 K and 1253 K, respectively, upon heating. The spectra of the {beta}-quartz and {beta}-cristobalite forms indicate the presence of significant disorder. Back transformation to the {alpha}-quartz-type form occurred readily with a hysteresis of less than 100 K for the composition x = 0.38 and for pure GaPO{sub 4}. Rapid cooling was necessary to obtain the metastable {alpha}-cristobalite form. In contrast, for Al{sub 0.80}Ga{sub 0.20}PO{sub 4}, the {alpha}-cristobalite form was obtained even upon slow cooling.

  11. 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).

  12. Synthesis, crystal structure and electrochemical properties of the manganese-doped LiNaFe[PO{sub 4}]F materials

    Energy Technology Data Exchange (ETDEWEB)

    Ben Yahia, Hamdi, E-mail: benyahia.hamdi@aist.go.jp; Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp; Sakaebe, Hikari; Kobayashi, Hironori

    2013-08-15

    The new compounds LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F (x ≤ 1/4) were synthesized by a solid state reaction route. The crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F was determined from single crystal X-ray diffraction data. LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F crystallizes with the Li{sub 2}Ni[PO{sub 4}]F-type structure, space group Pnma, a = 10.9719(13), b = 6.3528(7), c = 11.4532(13) Å, V = 798.31(16) Å{sup 3}, and Z = 8. The structure consists of edge-sharing (Fe{sub 3/4}Mn{sub 1/4})O{sub 4}F{sub 2} octahedra forming (Fe{sub 3/4}Mn{sub 1/4})FO{sub 3} chains running along the b-axis. These chains are interlinked by PO{sub 4} tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The manganese-doped phases show poor electrochemical behavior comparing to the iron pure phase LiNaFe[PO{sub 4}]F. - Highlights: • We investigated the synthesis of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F by solid state reaction. • We demonstrated that a solid solution exist only for x ≤ 1/4. • We solved the crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F using single crystal data. • We studied the electrochemical performances of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F. • The Mn-doped phases have poor electrochemical performances comparing to LiNaFe[PO{sub 4}]F.

  13. Optimization of the deposition conditions and structural characterization of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7-x} thin superconducting films

    Energy Technology Data Exchange (ETDEWEB)

    Chrzanowski, J.; Meng-Burany, S.; Xing, W.B. [Simon Fraser Univ., British Columbia (Canada)

    1994-12-31

    Two series of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub z} thin films deposited on (001) LaAlO{sub 3} single crystals by excimer laser ablation under two different protocols have been investigated. The research has yielded well defined deposition conditions in terms of oxygen partial pressure p(O{sub 2}) and substrate temperature of the deposition process T{sub h}, for the growth of high quality epitaxial films of YBCO. The films grown under conditions close to optimal for both j{sub c} and T{sub c} exhibited T{sub c}{ge}91 K and j{sub c}{ge}4 x 10{sup 6} A/cm{sup 2}, at 77 K. Close correlations between the structural quality of the film, the growth parameters (p(O{sub 2}), T{sub h}) and j{sub c} and T{sub c} have been found.

  14. Photocatalytic degradation of Acephate, Omethoate, and Methyl parathion by Fe{sub 3}O{sub 4}@SiO{sub 2}@mTiO{sub 2} nanomicrospheres

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Lingling, E-mail: zllyslngj@126.com [State Key Laboratory of Food Science and Technology, School of Food Science of Jiangnan University, School of Food Science Synergetic Innovation Center of Food Safety and Quality Control, Wuxi, Jiangsu 214122 (China); Pi, Fuwei; Wang, Yifan [State Key Laboratory of Food Science and Technology, School of Food Science of Jiangnan University, School of Food Science Synergetic Innovation Center of Food Safety and Quality Control, Wuxi, Jiangsu 214122 (China); Xu, Hui [Key Laboratory of Healthy & Intelligent Kitchen System Integration, Ningbo, Zhejiang 315336 (China); Zhang, Yinzhi [State Key Laboratory of Food Science and Technology, School of Food Science of Jiangnan University, School of Food Science Synergetic Innovation Center of Food Safety and Quality Control, Wuxi, Jiangsu 214122 (China); Sun, Xiulan, E-mail: sxlzzz@jiangnan.edu.cn [State Key Laboratory of Food Science and Technology, School of Food Science of Jiangnan University, School of Food Science Synergetic Innovation Center of Food Safety and Quality Control, Wuxi, Jiangsu 214122 (China)

    2016-09-05

    Highlights: • An efficient photocatalyst Fe{sub 3}O{sub 4}@SiO{sub 2}@mTiO{sub 2} with high magnetic response and large specific surface area was synthesized. • Photocatalytic efficiency of Fe{sub 3}O{sub 4}@SiO{sub 2}@mTiO{sub 2} on Acephate, Omethoate, and Methyl Parathion was higher than TiO{sub 2} P-25. • Possible photocatalytic degradation mechanisms for the Acephate, Omethoate, and Methyl Parathion were proposed. - Abstract: A novel magnetic mesoporous nanomicrospheres Fe{sub 3}O{sub 4}@SiO{sub 2}@mTiO{sub 2} were synthetized and characterized by a series of techniques including FE-TEM, EDS, FE-SEM, PXRD, XPS, BET, TGA as well as VSM, and subsequently tested as a photocatalyst for the degradation of Acephate, Omethoate, and Methyl parathion under UV irradiation. The well-designed nanomicrospheres exhibit a pure and highly crystalline anatase TiO{sub 2} layer, large specific surface area, and high-magnetic-response. Photocatalytic degradation of the three organophosphorus pesticides (OPPs) and the formation intermediates were identified using HPLC, TOC-V{sub cpn}, IC, pH meter and GC–MS. Acephate, Omethoate, and Methyl parathion disappeared after 45 min, 45 min, and 80 min UV illumination, respectively. At the end of the treatment, the total organic carbon (TOC) of the OPPs was reduced 80–85%. The main mineralization products were SO{sub 4}{sup 2−}, NO{sub 3}{sup −} and PO{sub 4}{sup 3−} and Omethoate additionally formed NO{sub 2}{sup −}. Based on the results, we proposed the photocatalytic degradation pathways for Acephate, Omethoate, and Methyl parathion.

  15. Radiation processes in glass of Ba(PO/sub 3/)/sub 2/-MgF/sub 2/-LiF system. [Gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Bocharova, T.V.; Karapetyan, G.O.; Khalilev, V.D.

    1984-11-01

    Optical spectra of additional absorption of glasses of Ba(PO/sub 3/)/sub 2/-MgF/sub 2/-LiF system ..gamma..-irradiated up to 10/sup 6/ R dose are presented. It was established that introduction of up to 70 mol% of fluorides into phosphate glass doesn't result in occurrence of AAB (additional absorption band) in spectra, related to color centers similar to F-centers in MgF/sub 2/ and LiF crystals. It was shown that occurring color centers in phosphate matrix form nonelementary AAB in approximately 20,000 cm/sup -1/ spectrum region. The contribution to the total spectrum of additional absorption in visible region is made, besides (PO)/sub 4/-centers, by radiation color centers related with the presence of Mg/sup +2/ ions near PO/sub 4/ tetrahedrons. It was assumed that change of AAB position and intensity with ..gamma..sub(max) approximately 20,000 cm/sup -1/ in fluorophosphate glass with regularly changed composition reflects structural rebuilding of glass network taking place simultaneously with fluoride introduction. The obtained results support the conclusion, that MgF/sub 2/ takes part in formation of structural glass network whereas LiF acts as a component which breaks phosphate chains.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-15

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

  17. 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)

  18. Systematic characterization of HT PEMFCs containing PBI/H{sub 3}PO{sub 4} systems. Thermodynamic analysis and experimental investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bandlamudi, George Chakravarthy

    2011-07-01

    High temperature PEMFCs (HT PEMFCs), operating at 120 C - 200 C are rather new and offer tremendous advantages. For instance fuel cells operating at > 100 C reduce issues related to water management substantially. Circulating excess heat energy from such fuel cells into other system processes where heat is needed would be much more practical (due to higher {delta}T) compared to the standard LT PEMFCs where the produced heat has less than 90 C (lower {delta}T). Higher tolerance to fuel impurities such as CO, by these HT PEMFCs has made them very practical for many applications. Although PBI/H{sub 3}PO{sub 4} based membranes have been explored for use in PEMFCs from the early 1990s, only recently PEMEAS (currently BASF) has marketed them as commercially available MEAs. Besides, some companies such as Sartorius (currently Elcomax) and Fuma Tech of Germany, Danish Power Systems of Denmark are offering HT-MEAs on a commercial basis. Although some issues remain, such as development of durable and low cost catalyst and catalyst support materials, acid management, the rapid development of membranes and MEAs has been motivated by a huge demand from many a market. Recently, DLR in Germany has tested its pilot airplane (Antares) fully operated with a HT PEMFC stack (with on-board H{sub 2} bottle). ClearEdge Power in Portland, USA has been developing systems based on HT PEMFC technology to be deployed in the US as well as in South Korean households. Many more companies are increasingly interested in this technology due to the many fold advantages it has to offer. This work is aimed at elucidating this HT PEMFC technology, in terms of giving an in-depth view of what it means to operate a HT PEMFC. (orig.)

  19. 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)

  20. Nano/micro Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} crystallites: Size dependent structural, second harmonic and piezoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Tukaram, Shet; Bhimireddi, Rajasekhar; Varma, K.B.R., E-mail: kbrvarma@mrc.iisc.ernet.in

    2016-09-15

    Graphical abstract: Synthesis of Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} nano/micro crystallites and their size dependent non-linear optical and piezoelectric responses. - Highlights: • Nano/microcrystallites of Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} were synthesized via sol-gel route. • Crystallite size dependent structural and physical properties were studied. • SHG intensity (1.4 times that of KDP powder) from these crystallites was recorded. • PFM studies on isolated crystallite of 480 nm exhibited d{sub 33} as high as 27 pm/V. • Single domain nature of the crystallites below 160 nm was observed. - Abstract: Strontium bismuth titanate (Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18}) powders comprising crystallites of average sizes in the range of 94–1400 nm were prepared via citrate-assisted sol-gel route. With an increase in the average crystallite size there was a change in the lattice parameters and shift in the Raman vibration modes. Second harmonic signal (532 nm) intensity of the Sr{sub 2}Bi{sub 4}Ti{sub 5}O{sub 18} powders increased with the increase in the average crystallite size and the maximum intensity obtained in the reflection mode was 1.4 times as high as that of the powdered KH{sub 2}PO{sub 4}. Piezo Force Microscopic analyses carried out on isolated crystallite of size 74 nm, established a single domain nature with the coercive field as high as 347 kV/cm. There was a systematic increase in the d{sub 33} value with an increase in the size of the isolated crystallites and a high piezoelectric coefficient of ∼27 pm/V was obtained from an isolated crystallite of size 480 nm.

  1. Resistivity and Hall-effect measurements on LaAlO{sub 3}/SrTiO{sub 3-δ} heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sleem, Ahmed [Institut fuer Festkoerperphysik, Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Fakultaet fuer Physik, Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Fuchs, Dirk; Schneider, Rudolf [Institut fuer Festkoerperphysik, Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Mueller, Philipp; Gerthsen, Dagmar [Laboratorium fuer Elektronenmikroskopie, Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Loehneysen, Hilbert von [Institut fuer Festkoerperphysik, Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Physikalisches Institut, Karlsruher Institut fuer Technologie, Karlsruhe (Germany)

    2013-07-01

    The influence of the oxygen partial pressure p(O{sub 2}) during film deposition on the transport properties of LaAlO{sub 3}/SrTiO{sub 3-δ} heterostructures was analyzed by resistivity and Hall-effect measurements. To this end, thin films of LaAlO{sub 3} were grown epitaxially by pulsed laser deposition on TiO{sub 2} terminated <001> oriented SrTiO{sub 3} substrates at different oxygen partial pressure p(O{sub 2}), i.e., 10{sup -3} mbar≥p(O{sub 2})≥10{sup -5} mbar. Electrical contacts to the interface were prepared by argon ion-etching and subsequent filling by sputtering of Pt pads. Resistivity measurements were carried out in Van-der-Pauw geometry for 4.2 K≤T≤300 K. The charge carrier concentration, n{sub e}, and mobility, μ{sub e}, were deduced from the Hall-constant, R{sub H}, and conductivity, σ, at room temperature and 4.2 K. With decreasing p(O{sub 2}) the resistivity changes from an insulating/semi-conductive to a metallic behavior. Experimental results with respect to the sheet resistance R{sub S}, n{sub e}, and μ{sub e} versus p(O{sub 2}) are presented and discussed.

  2. 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.

  3. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-15

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

  5. Stabilization of MgCr<sub>2sub>O>4sub> spinel in slags of the
    SiO<sub>2sub>-CaO-MgO-Cr>2sub>O>3sub> 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 SiO<sub>2sub>-CaOMgO-
    Cr<sub>2sub>O>3sub>. 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 Cr<sub>2sub>O>3sub> 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 Cr<sub>2sub>O>3sub> se encuentra principalmente ligado en una fase espinela MgCr<sub>2sub>O>4sub>, 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 MgCr<sub>2sub>O>4sub>, (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 SiO<sub>2sub>-CaOMgO-Cr>2sub>O>3sub>. Se realizaron ensayos al equilibrio a 1600 °C bajo condiciones reductoras (pO>2sub>=10-9atm. El contenido de MgO fue de 0 a 12 % masa, el Cr<sub>2sub>O>3sub> 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 Cr<sub>2sub>O>3sub> se encuentra principalmente ligado en una fase espinela MgCr<sub>2sub>O>4sub>, incluso a bajos contenidos de MgO. Los resultados obtenidos por

  6. Microemulsion synthesis and magnetic properties of hydroxyapatite-encapsulated nano CoFe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Foroughi, Firoozeh [Department of Materials Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Isfahan (Iran, Islamic Republic of); Hassanzadeh-Tabrizi, S.A., E-mail: tabrizi1980@gmail.com [Young Researchers and Elite Club, Najafabad Branch, Islamic Azad University, Najafabad, Isfahan (Iran, Islamic Republic of); Amighian, Jamshid [Department of Materials Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Isfahan (Iran, Islamic Republic of)

    2015-05-15

    Hydroxyapatite-encapsulated cobalt ferrite (CoFe{sub 2}O{sub 4}) nanopowders were synthesized by one step microemulsion method. The powders were characterized by X-ray Diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscopy, transmission electron microscopy and vibrating sample magnetometer. TEM results showed that nanoparticles calcined at 700 °C have core–shell morphology. It was found that the resultant phases, morphology and magnetic properties of the samples depend on calcining temperature. The synthesized nanoparticles showed a maximum saturation magnetization of 7.8 emu/g with a wasp-waisted hysteresis loop. The magnetion was reduced by increasing calcining temperature to 900 °C. This reduction is due to the reaction of cobalt ferrite with hydroxyapatite which leads to CaFe{sub 12}(PO{sub 4}){sub 8}(OH){sub 12} phase. - Highlights: • Hydroxyapatite-encapsulated cobalt ferrite nanopowders were synthesized by a microemulsion method. • The characterization of nanoparticles was performed using various analytical tools, such as TEM, FE-SEM, FTIR, XRD and VSM. • The nanoparticles showed a maximum saturation magnetization of 7.8 emu/g. • The samples indicated a wasp-waisted hysteresis loop.

  7. Synergetic Fe substitution and carbon connection in LiMn{sub 1−x}Fe{sub x}PO{sub 4}/C cathode materials for enhanced electrochemical performances

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Su-Yuan; Wang, Cheng-Yang [Key Laboratory for Green Chemical Technology of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China); Gu, Rong-Min [Department of Chemistry, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China); Sun, Shuai [Key Laboratory for Green Chemical Technology of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China); Li, Ming-Wei, E-mail: mingweili@tju.edu.cn [Department of Chemistry, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China)

    2015-04-15

    Highlights: • LiMn{sub 0.6}Fe{sub 0.4}PO{sub 4}/C cathode material shows enhanced rate capability. • The Fe doped in the partial Mn sites could significantly facilitate the Li ions transfer. • The enhanced Li{sup +} ions diffusion contributes to the optimized rate capability of LiMn{sub 0.6}Fe{sub 0.4}PO{sub 4}. • ACM carbonization forms well carbon coating and a 3D carbon network structure. - Abstract: To enhance the rate and cyclic performances of LiMnPO{sub 4} cathode material for lithium-ion batteries, Mn is partially substituted with Fe, and LiMn{sub 1−x}Fe{sub x}PO{sub 4} (x = 0.2, 0.3, 0.4, 0.5) solid solutions are synthesized and investigated. Amphiphilic carbonaceous material (ACM) forms well carbon coating and connects the LiMn{sub 1−x}Fe{sub x}PO{sub 4} crystallites by a three-dimensional (3D) carbon network. The synergetic Fe substitution and carbon connection obviously improve the samples’ rate capacities and cyclic stability. The optimized LiMn{sub 0.6}Fe{sub 0.4}PO{sub 4}/C sample delivers discharge capacities of 160 mA h g{sup −1} at 0.05 C, 148 mA h g{sup −1} at 1 C, and 115 mA h g{sup −1} at 20 C. All samples have well capacity retention (>92%) after 50 charge/discharge cycles at 1 C. The enhanced electrochemical properties are mainly attributed to the improvement of Li ion and electron transport in the LiMn{sub 1−x}Fe{sub x}PO{sub 4}/C samples, respectively mainly resulting from their modified crystal structures caused by Fe substitution and the 3D carbon coating/connection originating from ACM carbonization. LiMn{sub 1−x}Fe{sub x}PO{sub 4} materials exhibit two discharge plateaus at ∼4.0 and ∼3.5 V (vs. Li{sup +}/Li), whose heights respectively reflect the redox potentials of Mn{sup 3+}/Mn{sup 2+} and Fe{sup 3+}/Fe{sup 2+} couples. The plateaus’ lengths correspond to the Mn/Fe ratio in LiMn{sub 1−x}Fe{sub x}PO{sub 4} and are affected by the kinetic behavior of samples. Though the ∼4.0 V plateau shrinks with

  8. Systems Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O at 25 deg C. Sistemy Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O pri 25 grad S

    Energy Technology Data Exchange (ETDEWEB)

    Skvortsov, V G; Sadetdinov, Sh V; Akimov, V M; Mitrasov, Yu N; Petrova, O V; Klopov, Yu N [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (Russian Federation) Universitet Druzhby Narodov, Moscow (Russian Federation)

    1994-02-01

    Phase equilibriums in the Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM[sub 2]B[sub 4]O[sub 7][center dot]nN[sub 2]H[sub 3]C[sub 2]H[sub 4]OH[center dot]XH[sub 2]O, where M=Li, Na with hydrazine ethanol. K[sub 2]B[sub 4]O[sub 7][center dot]4H[sub 2]O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods.

  9. Effects of oxygen partial pressure on the ferroelectric properties of pulsed laser deposited Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Silva, J.P.B.; Sekhar, K.C.; Pereira, M.; Gomes, M.J.M. [University of Minho, Centre of Physics, Braga (Portugal); Almeida, A.; Agostinho Moreira, J. [IFIMUP and IN-Institute of Nanoscience and Nanotechnology, Departamento de Fisica e Astronomia, Faculdade de Ciencias da Universidade do Porto, Porto (Portugal)

    2013-11-15

    The Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3} thin films were grown on the Pt-Si substrate at 700 C by using a pulsed laser deposition technique at different oxygen partial pressure (PO{sub 2}) in the range of 1-20 Pa and their properties were investigated. It is observed that the PO{sub 2} during the deposition plays an important role on the tetragonal distortion ratio, surface morphology, dielectric permittivity, ferroelectric polarization, switching response, and leakage currents of the films. With an increase in PO{sub 2}, the in-plane strain for the BST films changes from tensile to compressive. The films grown at 7.5 Pa show the optimum dielectric and ferroelectric properties and also exhibit the good polarization stability. It is assumed that a reasonable compressive strain, increasing the ionic displacement, and thus promotes the in-plane polarization in the field direction, could improve the dielectric permittivity. The butterfly features of the capacitance-voltage (C-V) characteristics and the bell shape curve in polarization current were attributed to the domain reversal process. The effect of pulse amplitude on the polarization reversal behavior of the BST films grown at PO{sub 2} of 7.5 Pa was studied. The peak value of the polarization current shows exponential dependence on the electric field. (orig.)

  10. Synthesis and characterization of the new copper indium phosphate Cu{sub 8}In{sub 8}P{sub 4}O{sub 30}

    Energy Technology Data Exchange (ETDEWEB)

    Hanzelmann, Christian; Weimann, Iren; Feller, Joerg [Hochschule fuer Technik und Wirtschaft Dresden, Friedrich-List-Platz 1, 01069 Dresden (Germany); Zak, Zdirad [Masaryk University, Kotlarska 267/2, 61137 Brno (Czech Republic)

    2014-01-15

    The system CuO/In{sub 2}O{sub 3}/P{sub 2}O{sub 5} has been investigated using solid state reaction between CuO, In{sub 2}O{sub 3} and (NH{sub 4}){sub 2}HPO{sub 4} in silica glass crucibles at 900 C. The powder samples were characterized by X-ray diffraction, thermal analysis and FT-IR spectroscopy. Orange single crystals of the new quaternary phase were achieved by the process of crystallization with mineralizers in sealed silica glass ampoules. They were then analyzed with EDX and single-crystal X-ray analysis in which the composition Cu{sub 8}In{sub 8}P{sub 4}O{sub 30} with the triclinic space group P anti 1 (No 2) with a = 7,2429(14) Aa, b = 8,8002(18) Aa, c = 10,069(2) Aa, α = 103,62(3) , β = 106,31(3) , γ = 101,55(3) and Z = 1 was found. The three-dimensional framework consists of [InO{sub 6}] octahedra and distorted [CuO{sub 6}] octahedra, overcaped [InO{sub 7}] prisms and [PO{sub 4}] tetrahedra, also trigonal [(CuIn)O{sub 5}] bipyramids and distorted [(CuIn)O{sub 6}] octahedra, where copper and indium are partly exchanged against each other. Cu{sub 8}In{sub 8}P{sub 4}O{sub 30} exhibits an incongruent melting point at 1023 C. (Copyright copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. A ''missing'' caesium member in the family of A{sub 3}Al{sub 2}P{sub 3}O{sub 12} aluminophosphates

    Energy Technology Data Exchange (ETDEWEB)

    Shvanskaya, Larisa [Moscow State Univ. (Russian Federation). Dept. of Crystallography; National Univ. of Science and Technology, Moscow (Russian Federation).; Yakubovich, Olga [Moscow State Univ. (Russian Federation). Dept. of Crystallography

    2017-07-01

    A new caesium aluminophosphate, Cs{sub 3}Al{sub 2}P{sub 3}O{sub 12}, has been synthesized by spontaneous crystallization from the melt and structurally characterized. The compound crystallizes in the orthorhombic space group Pnma, with a=9.7675(2) Aa, b=17.7537(3) Aa, c=8.1063(2) Aa, V=1405.71(2) Aa{sup 3}, and Z=4. Its crystal structure is based on an open interrupted framework built by alternating AlO{sub 4} and PO{sub 4} tetrahedra with Cs ions occupying the channels. The Cs{sub 3}Al{sub 2}P{sub 3}O{sub 12} framework topology resembles the previously known 4.8.12-net, which has been reported in the [C{sub 4}N{sub 3}H{sub 16}][Al{sub 2}P{sub 3}O{sub 12}] phase prepared by solvothermal synthesis in the presence of diethylenetriamine (DETA). The crystal chemical relationships between the K, Rb, Cs, Tl, [NH{sub 4}] and [C{sub 4}N{sub 3}H{sub 16}]-members of the A{sub 3}Al{sub 2}P{sub 3}O{sub 12} family of compounds are discussed.

  12. The uranium(VI) oxoazides [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN], [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}], [(bipy)UO{sub 2}(N{sub 3}){sub 3}]{sup -}, [UO{sub 2}(N{sub 3}){sub 4}]{sup 2-}, and [(UO{sub 2}){sub 2}(N{sub 3}){sub 8}]{sup 4-}

    Energy Technology Data Exchange (ETDEWEB)

    Haiges, Ralf; Christe, Karl O. [Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, Los Angeles, CA (United States); Vasiliu, Monica; Dixon, David A. [Department of Chemistry, The University of Alabama, Tuscaloosa, AL (United States)

    2017-01-12

    The reaction between [UO{sub 2}F{sub 2}] and an excess of Me{sub 3}SiN{sub 3} in acetonitrile solution results in fluoride-azide exchange and the uranium(VI) dioxodiazide adduct [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] was isolated in quantitative yield. The subsequent reaction of [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] with 2,2{sup '}-bipyridine (bipy) resulted in the formation of the azido-bridged binuclear complex [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}]. The triazido anion [(bipy)UO{sub 2}(N{sub 3}){sub 3}]{sup -} was obtained by the reaction of [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] with stoichiometric amounts of bipy and the ionic azide [PPh{sub 4}][N{sub 3}]. The reaction of [UO{sub 2}(N{sub 3}){sub 2}] with two equivalents of the [PPh{sub 4}][N{sub 3}] resulted in the formation of the mononuclear tetraazido anion [UO{sub 2}(N{sub 3}){sub 4}]{sup 2-} as well as the azido-bridged binuclear anion [(UO{sub 2}){sub 2}(N{sub 3}){sub 8}]{sup 4-}. The novel uranium oxoazides were characterized by their vibrational spectra and in the case of [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}].CH{sub 3}CN, [PPh{sub 4}][(bipy)UO{sub 2}(N{sub 3}){sub 3}], [PPh{sub 4}]{sub 2}[UO{sub 2}(N{sub 3}){sub 4}], [PPh{sub 4}]{sub 2}[UO{sub 2}(N{sub 3}){sub 4}].2CH{sub 3}CN, and [PPh{sub 4}]{sub 4}[(UO{sub 2}){sub 2}(N{sub 3}){sub 8}].4CH{sub 3}CN by their X-ray crystal structures. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. 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.

  14. Probing structural homogeneity of La{sub 1-x}Gd{sub x}PO{sub 4} monazite-type solid solutions by combined spectroscopic and computational studies

    Energy Technology Data Exchange (ETDEWEB)

    Huittinen, N., E-mail: n.huittinen@hzdr.de [Helmholtz-Zentrum Dresden - Rossendorf, Institute of Resource Ecology, Bautzner Landstraße 400, 01328 Dresden (Germany); Arinicheva, Y. [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Nuclear Waste Management and Reactor Safety (IEK-6), 52425 Jülich (Germany); Kowalski, P.M.; Vinograd, V.L. [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Nuclear Waste Management and Reactor Safety (IEK-6), 52425 Jülich (Germany); JARA High-Performance Computing, Schinkelstraße 2, 52062 Aachen (Germany); Neumeier, S. [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Nuclear Waste Management and Reactor Safety (IEK-6), 52425 Jülich (Germany); Bosbach, D. [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Nuclear Waste Management and Reactor Safety (IEK-6), 52425 Jülich (Germany); JARA High-Performance Computing, Schinkelstraße 2, 52062 Aachen (Germany)

    2017-04-01

    Here we study the homogeneity of Eu{sup 3+}-doped La{sub 1-x}Gd{sub x}PO{sub 4} (x = 0, 0.11, 0.33, 0.55, 0.75, 0.92, 1) monazite-type solid solutions by a combination of Raman and time-resolved laser fluorescence spectroscopies (TRLFS) with complementary quasi-random structure-based atomistic modeling studies. For the intermediate La{sub 0.45}Gd{sub 0.55}PO{sub 4} composition we detected a significant broadening of the Raman bands corresponding to the lattice vibrations of the LnO{sub 9} polyhedron, indicating much stronger distortion of the lanthanide cation site than the PO{sub 4} tetrahedron. A distortion of the crystal lattice around the dopant site was also confirmed in our TRLFS measurements of Eu{sup 3+} doped samples, where both the half width (FWHM) of the excitation peaks and the {sup 7}F{sub 2}/{sup 7}F{sub 1} ratio derived from the emission spectra increase for intermediate solid-solution compositions. The observed variation in FWHM correlates well with the simulated distribution of Eu···O bond distances within the investigated monazites. The combined results imply that homogenous Eu{sup 3+}-doped La{sub 1-x}Gd{sub x}PO{sub 4} monazite-type solid solutions are formed over the entire composition range, which is of importance in the context of using these ceramics for immobilization of radionuclides. - Highlights: •Homogenous Eu{sup 3+}-doped La{sub 1-x}Gd{sub x}PO{sub 4} monazite-type solid solutions have been synthesized. •Solid solution formation is accompanied by slight distortion of the LnO{sub 9} polyhedron. •Raman and laser spectroscopic trends are observed within the monazite series. •Results are explained with atomistic simulations of Eu-O bond distance distribution.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-15

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

  16. Chalcogenidosilicates: Ba/sub 2/SiTe/sub 4/ and Ba/sub 2/SiSe/sub 4/

    Energy Technology Data Exchange (ETDEWEB)

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

    1985-05-01

    The new compounds Ba/sub 2/SiSe/sub 4/ and Ba/sub 2/SiTe/sub 4/ crystallize in the monoclinic system, space group: P2/sub 1//m (No. 11) with the lattice constants Ba/sub 2/SiSe/sub 4/: a = 918.4(5) pm, b = 703.3(3) pm, c = 687.2(3) pm, ..beta.. = 109.2(1)/sup 0/, Ba/sub 2/SiTe/sub 4/: a = 965.0(5) pm, b = 762.6(3) pm, c = 746.6(3) pm, ..beta.. = 108.9(1)/sup 0/. Both compounds are isotypic to the Sr/sub 2/GeS/sub 4/ structure. Ba/sub 2/SiTe/sub 4/ is the first o-telluridosilicate with discrete SiTe/sub 4//sup 4 -/ anions.

  17. Synthetic shibkovite K(K{sub 1.67}H{sub 2}O{sub 0.33})(Ca{sub 1.3}Na{sub 0.7})[Zn{sub 3}Si{sub 12}O{sub 30}]: the crystal structure and comparative crystal chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kiriukhina, G. V., E-mail: g-biralo@yandex.ru; Yakubovich, O. V.; Dimitrova, O. V. [Moscow State University, Faculty of Geology (Russian Federation)

    2015-01-15

    The structure of a single crystal of a synthetic analog of mineral shibkovite K(K{sub 1.67}H{sub 2}O{sub 0.33})(Ca{sub 1.3}Na{sub 0.7})[Zn{sub 3}Si{sub 12}O{sub 30}] (milarite structure type) obtained by hydrothermal synthesis in the AlPO{sub 4}-K{sub 3}PO{sub 4}-CaCO{sub 3}-Na{sub 2}CO{sub 3}-ZnCO{sub 3}-SiO{sub 2}-H{sub 2}O system has been solved (R = 0.0406) by X-ray diffraction analysis: a = 10.5327(2) Å, c = 14.2019(3) Å, sp. gr. P6/mcc, Z = 2, and ρ{sub calcd} = 2.90 g/cm{sup 3}. The crystal-chemical features of the new phase are studied in comparison with the other terms of the milarite group. It is shown that the crystallization conditions for minerals and synthetic analogs of this group determine the presence or absence of crystallization water in the structures of compounds.

  18. Tritium release in Li{sub 4}SiO{sub 4} and Li{sub 4.2}Si{sub 0.8}Al{sub 0.2}O{sub 4} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Linjie, E-mail: zhaolinjie1989@163.com; Long, Xinggui, E-mail: xingguil@caep.cn; Peng, Shuming, E-mail: pengshuming@caep.cn; Chen, Xiaojun; Xiao, Chengjian; Ran, Guangming; Li, Jiamao

    2016-12-15

    Li{sub 4+x}Si{sub 1−x}Al{sub x}O{sub 4} solid solution materials, which were designed as the advanced tritium breeders, were obtained by indirect solid state reactions. The behaviors of tritium release from Li{sub 4}SiO{sub 4} and Li{sub 4.2}Si{sub 0.8}Al{sub 0.2}O{sub 4} powders were investigated by temperature programmed desorption. The tritium release curves show different characteristics for the Li{sub 4}SiO{sub 4} and Li{sub 4.2}Si{sub 0.8}Al{sub 0.2}O{sub 4} ceramics. The main tritium release peak in the Li{sub 4}SiO{sub 4} and Li{sub 4.2}Si{sub 0.8}Al{sub 0.2}O{sub 4} powders is at approximately 600 °C after a high dose irradiation. Moreover, the temperature of the tritium release from Li{sub 4.2}Si{sub 0.8}Al{sub 0.2}O{sub 4} was lower than that of the release from Li{sub 4}SiO{sub 4}. This suggests a possible advantage to using the solid solutions as the advanced tritium breeding materials.

  19. A [Mo{sub 2}O{sub 2}S{sub 2}]-based ring system incorporating tartrate as the bridging ligand. Synthesis, structure and catalytic activity of Cs{sub 4}[Mo{sub 2}O{sub 2}(μ-S){sub 2}]{sub 2}(μ{sub 4}-tart){sub 2} (tart=[C{sub 4}H{sub 2}O{sub 6}]{sup 4-})

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Ting-Ting; Cui, Yu-Jie; Xin, Zhifeng; Jia, Ai-Quan; Zhang, Qian-Feng [Anhui Univ. of Technology, Anhui (China). Inst. of Molecular Engineering and Applied Chemistry and Anhui Province Key Lab. of Metallurgy Engineering and Resources Recycling

    2017-08-01

    Treatment of [Mo{sub 2}S{sub 2}O{sub 2}(H{sub 2}O){sub 6}]{sup 2+} with racemic tartaric acid (tartH{sub 4}) in the presence of sodium hydroxide and cesium chloride in aqueous solution led to the isolation of a new tetra-molybdenum ring cluster Cs{sub 4}[Mo{sub 2}O{sub 2}(μ-S){sub 2}]{sub 2}(μ{sub 4}-tart){sub 2}. The cyclic cluster polyanion consists of two dinuclear [Mo{sub 2}O{sub 2}(μ-S){sub 2}]{sup 2+} moieties and two bridging tart{sup 4-} ligands. The cyclic polyoxothiomolybdate cluster, supported on the mesoporous silica SBA-15, was tested for heterogenerous catalysis in thiophene hydrodesulfurization.

  20. Amperometric glucose sensor based on the Ni(OH){sub 2}/Al(OH){sub 4}{sup −} electrode obtained from a thin Ni{sub 3}Al foil

    Energy Technology Data Exchange (ETDEWEB)

    Jarosz, Magdalena, E-mail: jarosz@chemia.uj.edu.pl [Department of Physical Chemistry and Electrochemistry, Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30060 Krakow (Poland); Socha, Robert P. [Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences, Niezapominajek 8, 30239 Krakow (Poland); Jóźwik, Paweł [Faculty of Advanced Technology and Chemistry, Military University of Technology, Kaliskiego 2, 00908 Warsaw (Poland); Sulka, Grzegorz D. [Department of Physical Chemistry and Electrochemistry, Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30060 Krakow (Poland)

    2017-06-30

    Highlights: • Chemical etching of Ni{sub 3}Al alloy in an acidic mixture was performed. • Electrochemical activity of samples was achieved by their oxidation in NaOH. • Ni(OH){sub 2}/Al(OH){sub 4}{sup −} electrode showed electrochemical activity towards glucose. • Synthesized material is characterized by high sensitivity and short response time. - Abstract: In this report, we present a facile and relatively fast method to roughen the surface of Ni{sub 3}Al–based intermetallic foil, and test it as an amperometric non-enzymatic glucose sensor. The alloy samples underwent chemical etching in a H{sub 3}PO{sub 4}:CH{sub 3}COOH (HAc):HNO{sub 3}:H{sub 2}O (24:1:1:7 in volume) solution in order to achieve a high surface area with more electroactive sites. The Ni(OH){sub 2}/Al(OH){sub 4}{sup −} electrode was fabricated using potential cycling technique in a highly concentrated alkaline solution. The electrodes were tested electrochemically for oxidation of glucose. We have demonstrated that Ni(OH){sub 2}/Al(OH){sub 4}{sup −} electrodes exhibit high sensitivity towards glucose detection (796 μAmM{sup -1}cm{sup -2}) and short response time (3 s) upon successive addition of glucose. Moreover, as for a non-nanometric material, prepared electrodes show a relatively good linear correlation between current density and glucose concentration (0.025–0.45 mM) and limit of detection (47.6 μM). For more in-depth characterization of presented material, electrodes were examined using scanning electron microscopy (SEM) with energy-dispersive spectroscopy (EDS), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS).

  1. Systems of Na/sup +/NO/sub 3/, Na/sub 2/SO/sub 4/, RbNO/sub 3/, Rb/sub 2/SO/sub 4/-H/sub 2/O and NaNO/sub 3/, Na/sub 2/SO/sub 4/, CsNO/sub 3/, Cs/sub 2/SO/sub 4/-H/sub 2/O at 25 and 75 deg C

    Energy Technology Data Exchange (ETDEWEB)

    Poletaev, I F; Krasnenkova, L V

    1975-08-01

    Quaternary Na/sup +/, Rb/sup +///NO/sub 3/-, SO/sub 4//sup 2 -/-H/sub 2/O and Nsub(+), Cs/sup +///NO/sub 3/-, SO/sub 4//sup 2 -/-H/sub 2/O mutual systems have been studied isothermally. The following six fields of crystallization have been revealed in these systems at 25 deg C: Cs/sub 2/SO/sub 4/, Na/sub 2/SO/sub 4/, Na/sub 2/SO/sub 4/x10H/sub 2/O, NaNO/sub 3/xNa/sub 2/SO/sub 4/x2H/sub 2/O, NaNO/sub 3/, and CsNO/sub 3/.

  2. Magnetic and bioactivity evaluation of ferrimagnetic ZnFe{sub 2}O{sub 4} containing glass ceramics for the hyperthermia treatment of cancer

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Saqlain A., E-mail: saqlain007pk@hotmail.co [Biomaterials Lab, Department of Physics, GC University Lahore (Pakistan); Hashmi, M.U. [Biomaterials Lab, Department of Physics, GC University Lahore (Pakistan); Alam, S. [PITMAEM, PCSIR Lahore (Pakistan); Shamim, A. [Biomaterials Lab, Department of Physics, GC University Lahore (Pakistan)

    2010-02-15

    Glass ceramics of the composition xZnO.25Fe{sub 2}O{sub 3}.(40-x)SiO{sub 2}.25CaO.7P{sub 2}O{sub 5}.3Na{sub 2}O were prepared by the melt-quench method using oxy-acetylene flame. Glass-powder compacts were sintered at 1100 deg. C for 3 h and then rapidly cooled at -10 deg. C. X-ray diffraction (XRD) revealed 3 prominent crystalline phases: ZnFe{sub 2}O{sub 4}, CaSiO{sub 3} and Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}. Vibrating sample magnetometer (VSM) data at 10 KOe and 500 Oe showed that saturation magnetization, coercivity and hence hysteresis area increased with the increase in ZnO content. Nano-sized ZnFe{sub 2}O{sub 4} crystallites were of pseudo-single domain structure and thus coercivity increased with the increase in crystallite size. ZnFe{sub 2}O{sub 4} exhibited ferrimagnetism due to the random distribution of Zn{sup 2+} and Fe{sup 3+} cations at tetrahedral A sites and octahedral B sites. This inversion/random distribution of cations was probably due to the surface effects of nano-ZnFe{sub 2}O{sub 4} and rapid cooling of the material from 1100 deg. C (thus preserving the high temperature state of the random distribution of cations). Calorimetric measurements were carried out using magnetic induction furnace at 500 Oe magnetic field and 400 KHz frequency. The data showed that maximum specific power loss and temperature increase after 2 min were 26 W/g and 37 deg. C, respectively for the sample containing 10% ZnO. The samples were immersed in simulated body fluid (SBF) for 3 weeks. Scanning electron microscope (SEM), energy dispersive spectroscopy (EDX) and XRD results confirmed the growth of precipitated hydroxyapatite phase after immersion in SBF, suggesting that the ferrimagnetic glass ceramics were bioactive and could bond to the living tissues in physiological environment.

  3. La{sub 3}Cu{sub 4}P{sub 4}O{sub 2} and La{sub 5}Cu{sub 4}P{sub 4}O{sub 4}Cl{sub 2}. Synthesis, structure and {sup 31}P solid state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bartsch, Timo; Eul, Matthias; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos, SP (Brazil). Inst. of Physics

    2016-04-01

    The phosphide oxides La{sub 3}Cu{sub 4}P{sub 4}O{sub 2} and La{sub 5}Cu{sub 4}P{sub 4}O{sub 4}Cl{sub 2} were synthesized from lanthanum, copper(I) oxide, red phosphorus, and lanthanum(III) chloride through a ceramic technique. Single crystals can be grown in a NaCl/KCl flux. Both structures were refined from single crystal X-ray diffractometer data: I4/mmm, a = 403.89(4), c = 2681.7(3) pm, wR2 = 0.0660, 269 F{sup 2} values, 19 variables for La{sub 3}Cu{sub 4}P{sub 4}O{sub 2} and a = 407.52(5), c = 4056.8(7) pm, wR2 = 0.0905, 426 F{sup 2} values, 27 variables for La{sub 5}Cu{sub 4}P{sub 4}O{sub 4}Cl{sub 2}. Refinement of the occupancy parameters revealed full occupancy for the oxygen sites in both compounds. The structures are composed of cationic (La{sub 2}O{sub 2}){sup 2+} layers and covalently bonded (Cu{sub 4}P{sub 4}){sup 5-} polyanionic layers with metallic characteristics, and an additional La{sup 3+} between two adjacent (Cu{sub 4}P{sub 4}){sup 5-} layers. The structure of La{sub 5}Cu{sub 4}P{sub 4}O{sub 4}Cl{sub 2} comprises two additional LaOCl slabs per unit cell. Temperature-dependent magnetic susceptibility studies revealed Pauli paramagnetism. The phosphide substructure of La{sub 3}Cu{sub 4}P{sub 4}O{sub 2} was studied by {sup 31}P solid state NMR spectroscopy. By using a suitable dipolar re-coupling approach the two distinct resonances belonging to the P{sub 2}{sup 4-} and the P{sup 3-} units could be identified.

  4. The mechanism of degradation of bisphenol A using the magnetically separable CuFe{sub 2}O{sub 4}/peroxymonosulfate heterogeneous oxidation process

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Yin; Ai, Jia [Department of Environmental Engineering, Wuhan University, Wuhan 430079 (China); Shenzhen Research Institute of Wuhan University, Shenzhen 518057 (China); Zhang, Hui, E-mail: eeng@whu.edu.cn [Department of Environmental Engineering, Wuhan University, Wuhan 430079 (China); Shenzhen Research Institute of Wuhan University, Shenzhen 518057 (China)

    2016-05-15

    Highlights: • Copper ferrite (CuFe{sub 2}O{sub 4}) was fabricated and utilized in heterogeneous PMS process. • The influence of reaction parameters for the mineralization of BPA were evaluated. • Possible reaction mechanism and the stability of CuFe{sub 2}O{sub 4} were investigated. • Surface bound radicals (mainly ·OH) may be responsible for the BPA degradation. - Abstract: The removal of bisphenol A (BPA) in aqueous solution by an oxidation process involving peroxymonosulfate (PMS) activated by CuFe{sub 2}O{sub 4} magnetic nanoparticles (MNPs) is reported herein. The effects of PMS concentration, CuFe{sub 2}O{sub 4} dosage, initial pH, initial BPA concentration, catalyst addition mode, and anions (Cl{sup −}, F{sup −}, ClO{sub 4}{sup −} and H{sub 2}PO{sub 4}{sup −}) on BPA degradation were investigated. Results indicate that nearly complete removal of BPA (50 mg/L) within 60 min and 84.0% TOC removal in 120 min could be achieved at neutral pH by using 0.6 g/L CuFe{sub 2}O{sub 4} MNPs and 0.3 g/L PMS. The generation of reactive radicals (mainly hydroxyl radicals) was confirmed using electron paramagnetic resonance (EPR). Possible mechanisms on the radical generation from CuFe{sub 2}O{sub 4}/PMS system are proposed based on the results of radical identification tests and XPS analysis. The lack of inhibition of the reaction by free radical scavengers such as methanol and tert-butyl alcohol suggests that these species may not be generated in the bulk solution, and methylene blue probe experiments confirm that this process does not involve free radical generation. Surface-bound, rather than free radicals generated by a surface catalyzed-redox cycle involving both Fe(III) and Cu(II), are postulated to be responsible for the mineralization of bisphenol A.

  5. 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.

  6. Synthesis, crystal structure, and properties of KSbO{sub 3}-type Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11}

    Energy Technology Data Exchange (ETDEWEB)

    Li Manrong; Retuerto, Maria; Bok Go, Yong; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States); Croft, Mark; Ignatov, Alex [Department of Physics and Astronomy, Rutgers, State University of New Jersey, 136 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Ramanujachary, Kandalam V. [Department of Chemistry and Biochemistry, Rowan University, 210 Mullica Hill Road, Glassboro, NJ 08028 (United States); Dachraoui, Walid; Hadermann, Joke [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Tang Meibo; Zhao Jingtai [Key Laboratory of Transparent Opto-Functional Inorganic Materials of Chinese Academy of Sciences, Shanghai Institute of Ceramics, Shanghai 200050 (China); Greenblatt, Martha, E-mail: martha@rutchem.rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States)

    2013-01-15

    Single crystals of Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} were prepared from NaCl+KCl flux. This compound adopts KSbO{sub 3}-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn{sub 0.63}Te{sub 0.37}){sub 2}O{sub 10} dimers and two identical (Bi1){sub 4}(Bi2){sub 2} interpenetrating lattices. The intra-dimer Mn/Te-Mn/Te distances in Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} are short and are consistent with weak metal-metal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi{sub 3}(Mn{sup III}{sub 1.1}Mn{sup IV}{sub 0.8})Te{sup VI}{sub 1.1}O{sub 11} with 57.7% Mn{sup 3+} and 42.3% Mn{sup 4+}. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi{sub 3}Mn{sub 3}O{sub 11} (T{sub C}=150 K). - Graphical abstract: Single crystal of Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} was grown from NaCl+KCl binary flux, suggesting that the high pressure Bi{sub 3}Mn{sub 3}O{sub 11} phase can be stabilized by partial substitution of Mn by Te at ambient pressure. Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} adopts a typical three dimensional KSbO{sub 3}-type crystal structure with three interpenetrating lattices and weak intra-dimmer metal-metal interaction caused by the d electrons of Mn. The edge-shared (Mn{sub 0.63}Te{sub 0.37}){sub 2}O{sub 10} octahedral dimer and mixed oxidation state of manganese (Bi{sub 3}(Mn{sup III}{sub 1.1}Mn{sup IV}{sub 0.8})Te{sup VI}{sub 1.1}O{sub 11} with 57.7% Mn{sup 3+} and 42.3% Mn{sup 4+}) features were evidenced by X-ray absorption near edge spectroscopy. Compared with Bi{sub 3}Mn{sub 3}O{sub 11}, the Te substituted Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} relaxes the crystal structure, but destroys the long

  7. Structural and magnetic properties of SiO{sub 2}-CaO-Na{sub 2}O-P{sub 2}O{sub 5} containing BaO-Fe{sub 2}O{sub 3} glass-ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Leenakul, W.; Kantha, P.; Pisitpipathsin, N. [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Rujijanagul, G.; Eitssayeam, S. [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Pengpat, K., E-mail: kamonpan.p@cmu.ac.th [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2013-01-15

    The incorporation method was employed to produce bioactive glass-ceramics from the BaFe{sub 12}O{sub 19}-SiO{sub 2}-CaO-Na{sub 2}O-P{sub 2}O{sub 5} glass system. The ferrimagnetic BaFe{sub 12}O{sub 19} was first prepared using a simple mixed oxide method, where the oxide precursors of 45S5 bioglass were initially mixed and then melted to form glass. The devitrification of Na{sub 3}Ca{sub 6}(PO{sub 4}){sub 5} and Fe{sub 3}O{sub 4} was observed in all of the quenched glass samples. The glass samples were then subjected to a heat treatment schedule for further crystallization. It was found that the small traces of BaFe{sub 12}O{sub 19} phases started to crystallize in high BF content samples of 20 and 40 wt%. These samples also exhibited good magnetic properties comparable to that of other magnetic glass-ceramics. The bioactivity of the BF glass-ceramics improved with increasing BF content as was evident by the formation of bone-like apatite layers on the surface of all of the glass-ceramics after soaking in SBF for 14 days. The results support the use of these bioactive glass-ceramics for hyperthermia treatment within the human body. - Highlights: Black-Right-Pointing-Pointer BF addition improves the magnetic property and bioactivity of 45S5 bioglasses. Black-Right-Pointing-Pointer Bioglass-ceramics exhibited soft magnetic properties with Mr=14.850 emu/g. Black-Right-Pointing-Pointer Magnetic property can be enhanced by crystallization of BF in 45S5 bioglasses.

  8. 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.

  9. Characterization of electrolytic HA/ZrO{sub 2} double layers coatings on Ti-6Al-4V implant alloy

    Energy Technology Data Exchange (ETDEWEB)

    Yen, S.K. [Department of Materials Engineering, National Chung Hsing University, Taichung 40227, Taiwan (China)]. E-mail: skyen@dragon.nchu.edu.tw; Chiou, S.H. [Graduate Institute of Veterinary Microbiology, National Chung Hsing University, Taichung 40227, Taiwan (China); Wu, S.J. [Department of Materials Engineering, National Chung Hsing University, Taichung 40227, Taiwan (China); Chang, C.C. [Department of Materials Engineering, National Chung Hsing University, Taichung 40227, Taiwan (China); Lin, S.P. [Department of Materials Engineering, National Chung Hsing University, Taichung 40227, Taiwan (China); Lin, C.M. [Department of Materials Engineering, National Chung Hsing University, Taichung 40227, Taiwan (China)

    2006-01-15

    Hydroxyapatite (HA) coating was proved having bioactive property and hence improving the bonding strength on bone tissue without inducing the growth of fiber tissue. However, the weak adhesion between HA and metal implants is still the major problem. In this study, a novel method of electrolytic HA/ZrO{sub 2} double layers coating was successfully conducted on F-136 Ti-6Al-4V implant alloy in ZrO{sub 2}(NO{sub 3}){sub 2} aqueous solution and subsequently in the mixed solution of Ca(NO{sub 3}){sub 2} and NH{sub 4}H{sub 2}PO{sub 4}. After annealing at 400 deg. C, 500 deg. C and 600 deg. C for 4 h in air, the coated specimens were evaluated by X-ray diffraction analyses, surface morphology observations, scratch tests, dynamic polarization tests, immersion tests and cell culture assays. In addition to corrosion resistance, the adhesion strength of electrolytic deposited HA on Ti alloy was dramatically improved from the critical scratch load 2 N to 32 N by adding the intermediate electrolytic deposition of ZrO{sub 2}, which showed the strong bonding effects between Ti alloy substrate and HA coating. Based on the cell morphology and cell proliferation data, HA/ZrO{sub 2} double layers coating revealed the better substrate for the adhesion and proliferation of osteoblasts than the others. It was also found that the crystallization of HA had positive effect on the proliferation of osteoblasts.

  10. Bending strength of glass-ceramics based on 3CaO.P{sub 2}O{sub 5}-SiO{sub 2}-MgO glass system; Resistencia a fratura de vitroceramicos do sistema 3CaO.P{sub 2}O{sub 5}-SiO{sub 2}-MgO

    Energy Technology Data Exchange (ETDEWEB)

    Daguano, J.K.M.F.; Suzuki, P.A.; Santos, C. [Universidade de Sao Paulo (EEL/USP), Lorena, SP (Brazil). Escola de Engenharia de Lorena. Dept. de Engenharia de Materiais; Fernandes, M.H.V. [Universidade de Aveiro (UAveiro/CECICO), Aveiro (Portugal). Centro de Investigacao em Materiais Ceramicos e Compositos. Dept. de Engenharia Ceramica e do Vidro; Elias, C.N. [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Lab. de Biomateriais

    2009-07-01

    In this work, the Modulus of Rupture of bioactive glass-ceramic based on 3CaO.P{sub 2}O{sub 5}-SiO{sub 2}-MgO system was investigated, aiming its use in bone-restorations. The mechanical property was correlated with microstructural and crystallographic features of this material. High-purity starting-powders, CaCO{sub 3}, SiO{sub 2}, MgO, Ca (H{sub 2}PO{sub 4}).H{sub 2}O, were used in this study. The powders were mixed in a stoichiometric ratio, using planetary ball-mill. The suspensions were dried, sieved and melted at 1600 deg C, for 4h. The casting ones were cooled quickly until annealing temperature 700 deg C, in which remained for 2h, with controlled cooling-rate until ambient temperature. Bulks of glass were heat-treated with temperatures varying between 700 deg C and 1100 deg C, for 4h, being after that, cooled at 3 deg C/min. Bioactive glass and glass-ceramic were characterized by HRXRD (high resolution X-ray diffraction), where whitlockite was main phase. The microstructure was analyzed by scanning electronic microscopy. Modulus of Rupture was determined by four-point bending testing using specimens of 1.5 x 2 x 25 mm and glasses presented strength near to 70MPa, while glass ceramics treated at 975 deg C-4h, presented bending strength of 120MPa. (author)

  11. A C{sub 2}-symmetric ratiometric fluorescence and colorimetric anion sensor based on pyrrole derivative

    Energy Technology Data Exchange (ETDEWEB)

    Liu Ge [Department of Chemistry, Chifeng University, Chifeng 024000 (China); Shao Jie, E-mail: njshao@live.c [Department of Chemistry and Materials Science, Nanjing Forestry University, Nanjing 210037 (China)

    2011-07-15

    A C{sub 2}-symmetric fluorescence and colorimetric anion sensor (1) based on pyrrole derivative was designed and synthesized according to binding site-signaling subunit approach. The compound 1 was easily prepared by reaction of pyrrole-2,5-dicarboxaldehyde with 4-nitrophenylhydrazine in ethanol (yield=78%). In DMSO, the sensor 1 exhibited a visible color change from red to brown upon exposure to anions such as AcO{sup -} and F{sup -}; however, no obvious color changes were observed when the other tested anions (e. g. H{sub 2}PO{sub 4}{sup -}, Cl{sup -}, Br{sup -} and I{sup -}) were added. There was a significant redshift ({Delta}{lambda}{sub max}=160 nm) in UV-vis spectrum during UV-vis spectral titrations. In particular, the sensor 1 showed ratiometric fluorescence responses to anions. - Highlights: {yields} C{sub 2}-symmetric fluorescence and colorimetric anion sensor based on pyrrole derivative was designed and synthesized according to binding site-signaling subunit approach. {yields} The sensor was easily prepared by reaction of pyrrole-2,5-dicarboxaldehyde with 4-nitrophenylhydrazine in ethanol (yield=78%). {yields} In DMSO, the sensor exhibited a visible color change from red to brown upon exposure to anions such as AcO{sup -} and F{sup -}, however, no obvious color changes were observed when the other anions tested (e. g. H{sub 2}PO{sub 4}{sup -}, Cl{sup -}, Br{sup -} and I{sup -}) were added. {yields} The sensor showed ratiometric fluorescence responses to anions.

  12. Improving the cycle stability of LiCoPO{sub 4} nanocomposites as 4.8 V cathode: Stepwise or synchronous surface coating and Mn substitution

    Energy Technology Data Exchange (ETDEWEB)

    Örnek, Ahmet, E-mail: ahmetornek@kafkas.edu.tr [Kafkas University, Atatürk Vocational School of Health Science, Kars (Turkey); Can, Mustafa [Sakarya University, Arifiye Vocational School, Sakarya (Turkey); Yeşildağ, Ali [Kafkas University, Faculty of Engineering and Architecture, Department of Bioengineering, Kars (Turkey)

    2016-06-15

    Nanostructured LiCo{sub 1−x}Mn{sub x}PO{sub 4}/C (x = 0 and 0.05) materials were successfully produced as superior quality cathodes by combined sol-gel and carbothermal reduction methods. X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HR-TEM), energy dispersive spectroscopy (EDS), fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma (ICP), cyclic voltammetry (CV) and galvanostatic measurements were applied to determine the phase purity, morphology and electrochemical qualifications. HR-TEM analysis reveals that the thickness of the surface carbon layer of 5 to 10 nm range with the uniform distribution. LiCo{sub 0·95}Mn{sub 0·05}PO{sub 4}/C particles were between 40 and 80 nm and the same material exhibits a higher and stable reversible capacity (140 mA h g{sup −1}) with the long voltage plateau (4.76 V). Substitution of Co{sup 2+} with Mn{sup 2+} in LiCoPO{sub 4}/C has an influence on the initial discharge capacity and excellent cycling behaviour. The obtained results have attributed that production dynamics in nano-synthesis, the coating process with proper carbon source and an effective doping represent three parameters to prepare favorable cathode materials. - Highlights: • Structural, morphological and electrochemical effects of Mn doped LiCo{sub 1−x}Mn{sub x}PO{sub 4}–C electrodes are investigated. • Cheap, effective and simple sol-gel assisted carbothermal reduction approach is used. • After 60th cycle, capacity retention is almost 92% for LiCo{sub 0·95}Mn{sub 0.05}PO{sub 4}–C electrode. • Mn-doped sample exhibits distinctive oxidation (4.76 V and 4.12 V) peaks.

  13. Syntheses of 4-aminobutanoic acid-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/ and progabide-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/

    Energy Technology Data Exchange (ETDEWEB)

    Davis, B.

    1987-10-01

    4-Aminobutanoic acid-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/ were synthesized in high yield with high deuterium incorporation, and then converted into the corresponding deuterium-labelled anti-convulsant drug, progabide, by means of a transimination reaction.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-03-15

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

  15. Synthesis and luminescent properties of Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26} oxyapatites

    Energy Technology Data Exchange (ETDEWEB)

    Ishchenko, A.V., E-mail: a-v-i@mail.ru [Ural Federal University, 620002 Ekaterinburg (Russian Federation); Zuev, M.G. [Ural Federal University, 620002 Ekaterinburg (Russian Federation); Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation); Vasin, A.A. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation); Yagodin, V.V.; Viktorov, L.V.; Shulgin, B.V. [Ural Federal University, 620002 Ekaterinburg (Russian Federation)

    2016-01-15

    The solid solutions Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26−δ} (where x=0–0.15 and δ is oxygen nonstoichiometry) were synthesized. The structural properties of the crystal lattice of the solid solutions and the peculiarities of Eu{sup 3+} and P{sup 5+} dopants substitution for matrix ions have been considered. The photo-, X-ray and pulsed cathode luminescence properties have been studied. It has been found that substitution of (SiO{sub 4}){sup 4−} by (PO{sub 4}){sup 3−} tetrahedron in Eu{sup 3+}-doped oxyapatites does not bring significant changes to bands structure Eu{sup 3+} in luminescence spectra under different excitation (UV, X-ray, pulse cathode beam). However, the increase of P{sup 5+} concentration in Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26–δ} compounds leads to a decrease of integral intensity of Eu{sup 3+} luminescence bands due to local environment symmetry modifications and covalency degree changes. Two nonequivalent optical Eu{sup 3+} centers have been found. These compounds are of interest for efficient X-ray phosphors, display devices and LED engineering material creation. - Highlights: • The luminescence properties were studied upon UV, X-ray and pulse cathode beam. • P{sup 5+} doping of Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6}O{sub 26} leads to luminescence intensity reduction. • At least two types of optical centers formed by Eu{sup 3+} ions were found. • The structural features of Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26} were reported. • Partial replacement of Si by P does not change the Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6}O{sub 26} structure.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-09-04

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

  17. Enhanced visible-light photocatalytic decomposition of 2,4-dichlorophenoxyacetic acid over ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Pengxiang; Yao, Jinhua [Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, Engineering Research Center for Chemical Pollution Control, Ministry of Education, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Chen, Huan, E-mail: hchen404@njust.edu.cn [Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, Engineering Research Center for Chemical Pollution Control, Ministry of Education, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Jiang, Fang, E-mail: fjiang@njust.edu.cn [Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, Engineering Research Center for Chemical Pollution Control, Ministry of Education, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Xie, Xianchuan [State Key Laboratory of Pollution Control and Resource Reuse, Center for Hydrosciences Research, School of the Environment, Nanjing University, Nanjing 210094 (China)

    2016-11-05

    Highlights: • A novel flower-on-sheet ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} nanocomposite was synthesized. • ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} showed high visible light catalytic activity for 2,4-D degradation. • The photocatalytic degradation pathway of 2,4-D was investigated. - Abstract: ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} heterojunction photocatalyst was successfully synthesized via a simple hydrothermal method and applied to visible-light photocatalytic decomposition of 2,4-dichlorophenoxyacetic acid (2,4-D) from aqueous phase. The flower-like ZnIn{sub 2}S{sub 4} particles were dispersed on the surface of g-C{sub 3}N{sub 4} nanosheets in the ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite. The composite showed higher separation rate of electron-hole pairs as compared to ZnIn{sub 2}S{sub 4} and g-C{sub 3}N{sub 4}. Consequently, the ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite exhibited enhanced visible light photocatalytic decomposition efficiency of 2,4-D, within 20% ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite owning the highest photocatalytic efficiency and initial rate. The initial rates of 2,4-D degradation on g-C{sub 3}N{sub 4}, ZnIn{sub 2}S{sub 4}, and 20% ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} were 1.23, 0.57 and 3.69 mmol/(g{sub cat} h), respectively. The h{sup +} and O{sub 2}{sup ·−} were found to be the dominant active species for 2,4-D decomposition. The photocatalytic degradation pathways of 2,4-D by ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} under visible light irradiation were explored. The ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite displayed high photostability in recycling tests, reflecting its promising potential as an effective visible light photocatalyst for 2,4-D treatment.

  18. Synthesis and electrochemical properties of olivine LiFePO{sub 4} prepared by a carbothermal reduction method

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hui-ping; Wang, Zhi-xing; Li, Xin-hai; Guo, Hua-jun; Peng, Wen-jie; Zhang, Yun-he; Hu, Qi-yang [School of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China)

    2008-10-01

    LiFePO{sub 4}/C composite cathode material was prepared by carbothermal reduction method, which uses NH{sub 4}H{sub 2}PO{sub 4}, Li{sub 2}CO{sub 3} and cheap Fe{sub 2}O{sub 3} as starting materials, acetylene black and glucose as carbon sources. The precursor of LiFePO{sub 4}/C was characterized by differential thermal analysis and thermogravimetry. X-ray diffraction (XRD), scanning electron microscopy (SEM) micrographs showed that the LiFePO{sub 4}/C is olivine-type phase, and the addition of the carbon reduced the LiFePO{sub 4} grain size. The carbon is dispersed between the grains, ensuring a good electronic contact. The products sintered at 700 C for 8 h with glucose as carbon source possessed excellent electrochemical performance. The synthesized LiFePO{sub 4} composites showed a high electrochemical capacity of 159.3 mAh g{sup -1} at 0.1C rate, and the capacity fading is only 2.2% after 30 cycles. (author)

  19. 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.

  20. LiVO/sub 3/-Li/sub 2/Mo(W)O/sub 4/ and NaVO/sub 3/-Na/sub 2/Cr(Mo)O/sub 4/ systems

    Energy Technology Data Exchange (ETDEWEB)

    Belyaev, I N; Lupeiko, T G; Vyalikova, V I [Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

    1975-09-01

    The systems LiVO/sub 3/-Li/sub 2/MoO/sub 4/, LiVO/sub 3/-Li/sub 2/WO/sub 4/, NaNO/sub 3/-Na/sub 2/CrO/sub 4/, NaNO/sub 3/-Na/sub 2/MoO/sub 4/ were studied with thermographic and partially visual polythermal methods of physical and chemical analyses. Except NaVO/sub 3/-Na/sub 2/MoO/sub 4/ all investigated systems are eutectic ones with limited solid solutions on the basis of some component; the eutectics melt at 542, 544, 550/sup 0/C and contain 25, 20 and 26% of Li/sub 2/MoO/sub 4/, Li/sub 2/WO/sub 4/ and Na/sub 2/CrO/sub 4/ respectively. The system NaNO/sub 3/-Na/sub 2/MoO/sub 4/ contains compound 18 NaVO/sub 3/.11Na/sub 2/MoO/sub 4/ congruently melting at 570/sup 0/C. Two eutectics of the system have melting points at 542 and 548/sup 0/C and contain 47 and 67% of Na/sub 2/MoO/sub 4/.

  1. A determination of the oxygen non-stoichiometry of the oxygen storage materials LnBaMn{sub 2}O{sub 5+δ} (Ln=Gd, Pr)

    Energy Technology Data Exchange (ETDEWEB)

    Jeamjumnunja, Kannika; Gong, Wenquan; Makarenko, Tatyana; Jacobson, Allan J., E-mail: ajjacob@uh.edu

    2016-07-15

    The A-site ordered double-perovskite oxides, LnBaMn{sub 2}O{sub 5+δ} (Ln=Gd, Pr), were synthesized and investigated to understand the effect of A site cation substitution on the oxygen storage properties of these materials. The present results are compared with our previous data for YBaMn{sub 2}O{sub 5+δ}. The results clearly reveal that changing the Ln cation strongly influences the oxidation/reduction behavior of LnBaMn{sub 2}O{sub 5+δ}. Based on thermogravimetric analysis data, oxygen uptake begins at lower temperatures in both air and oxygen in compounds with Ln{sup 3+} ions larger than Y{sup 3+}. These oxides exhibit almost complete and reversible oxygen uptake/release between fully-reduced LnBaMn{sub 2}O{sub 5} and fully-oxidized LnBaMn{sub 2}O{sub 6} during changes of the oxygen partial pressure between air and 1.99% H{sub 2}/Ar. In addition, the oxygen non-stoichiometries of GdBaMn{sub 2}O{sub 5+δ} and PrBaMn{sub 2}O{sub 5+δ} were determined as a function of pO{sub 2} at 600, 650, 700 and 750 °C by Coulometric titration at near-equilibrium conditions. The results confirm that these materials have two distinct phases on oxidation/reduction with δ≈0, 0.5 and a third phase with a range of composition with an oxygen content (5+δ) approaching ~6. The stabilities of the LnBaMn{sub 2}O{sub 5+δ} phases extend over a wide range of oxygen partial pressures (∼10{sup −25}≤pO{sub 2} (atm)≤∼1) depending on temperature. Isothermal experiments show that the larger the Ln{sup 3+} cation the lower pO{sub 2} for phase conversion. At some temperatures and pO{sub 2} conditions, the LnBaMn{sub 2}O{sub 5+δ} compounds are unstable with respect to decomposition to BaMnO{sub 3−δ} and LnMnO{sub 3}. This instability is more apparent in Coulometric titration experiments than in thermogravimetric analysis. The Coulometric titration experiments are necessarily slow in order to achieve equilibrium oxygen compositions. - Graphical abstract: Structure of LnBaMn{sub

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-15

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

  3. Modeling Li-ion conductivity in LiLa(PO{sub 3}){sub 4} powder

    Energy Technology Data Exchange (ETDEWEB)

    Mounir, Ferhi, E-mail: ferhi.mounir@gmail.com [Laboratoire de Physicochimie des Materiaux Mineraux et leurs Applications, Centre National des Recherches en Sciences des Materiaux, BP No. 73, 8027 Soliman (Tunisia); Karima, Horchani-Naifer [Laboratoire de Physicochimie des Materiaux Mineraux et leurs Applications, Centre National des Recherches en Sciences des Materiaux, BP No. 73, 8027 Soliman (Tunisia); Khaled, Ben Saad [Laboratoire de Photovoltaieque, Centre des Recherches et des Technologies de l' Energie, Technopole Borj Cedria, BP No. 95, 2050 Hammam Lif (Tunisia); Mokhtar, Ferid [Laboratoire de Physicochimie des Materiaux Mineraux et leurs Applications, Centre National des Recherches en Sciences des Materiaux, BP No. 73, 8027 Soliman (Tunisia)

    2012-07-01

    Polycrystalline powder and single-crystal of LiLa(PO{sub 3}){sub 4} are synthesized by solid state reaction and flux technique, respectively. A morphological description of the obtained product was made based on scanning electron microscopy micrographs. The obtained powder was characterized by X-ray powder diffraction, FTIR and Raman spectroscopies. Ionic conductivity of the LiLa(PO{sub 3}){sub 4} powder was measured and evaluated over a temperature range from 553 to 913 K. Single crystals of LiLa(PO{sub 3}){sub 4} are characterized by single-crystal X-ray diffraction. The LiLa(PO{sub 3}){sub 4} structure was found to be isotypic with LiNd(PO{sub 3}){sub 4}. It crystallizes in the monoclinic system with space group C2/c and cell parameters: a=16.635(6) A, b=7.130(3) A, c=9.913(3) A, {beta}=126.37(4) Degree-Sign , V=946.72(6) A{sup 3} and Z=4. The LiLa(PO{sub 3}){sub 4} structure was described as an alternation between spiraling chains (PO{sub 3}){sub n} and (La{sup 3+}, Li{sup +}) cations along the b direction. The small Li{sup +} ions, coordinated to four oxygen atoms, were located in the large connected cavities created between the LaO{sub 8} polyhedra and the polyphosphate chains. The jumping of Li{sup +} through tunnels of the crystalline network was investigated using complex impedance spectroscopy. The close value of the activation energies calculated through the analysis of conductivity data and loss spectra indicate that the transport in the investigated system is through hopping mechanism. The correlation between ionic conductivity of LiLa(PO{sub 3}){sub 4} and its crystallographic structure was investigated and the most probably transport pathway model was determined.

  4. One-step preparation and photocatalytic performance of vanadium doped TiO{sub 2} coatings

    Energy Technology Data Exchange (ETDEWEB)

    Vasilić, R., E-mail: rastko.vasilic@ff.bg.ac.rs [University of Belgrade, Faculty of Physics, Studentski trg 12-16, 11000 Belgrade (Serbia); Stojadinović, S. [University of Belgrade, Faculty of Physics, Studentski trg 12-16, 11000 Belgrade (Serbia); Radić, N. [University of Belgrade, Institute of Chemistry, Technology and Metallurgy, Department of Catalysis and Chemical Engineering, Njegoševa 12, 11000 Belgrade (Serbia); Stefanov, P. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Block 11, Sofia 1113 (Bulgaria); Dohčević-Mitrović, Z. [University of Belgrade, Institute of Physics, Pregrevica 118, 11080 Belgrade (Serbia); Grbić, B. [University of Belgrade, Institute of Chemistry, Technology and Metallurgy, Department of Catalysis and Chemical Engineering, Njegoševa 12, 11000 Belgrade (Serbia)

    2015-02-01

    In this paper, we have investigated one-step preparation of vanadium doped TiO{sub 2} coatings formed by plasma electrolytic oxidation (PEO) of titanium in electrolyte containing 10 g/L Na{sub 3}PO{sub 4}·12H{sub 2}O + 0.5 g/L NH{sub 4}VO{sub 3}. The morphology, phase structure, and elemental composition of the formed coatings were characterized by atomic force microscopy (AFM), x-ray diffraction (XRD), and x-ray photoelectron spectroscopy (XPS) techniques. Ultraviolet–visible diffuse reflectance spectroscopy (UV–Vis DRS) was employed to evaluate the band gap energy of obtained coatings. Vanadium doped TiO{sub 2} coatings are partly crystallized and mainly composed of anatase phase TiO{sub 2}, with up to about 2 wt% of vanadium present in the surface layer of the oxide. The valence band photoelectron spectra and UV–Vis DRS showed that vanadium doped TiO{sub 2} coatings exhibit notable red shift with respect to the pure TiO{sub 2} coatings. The photocatalytic activity was evaluated by monitoring the degradation of methyl orange under simulated sunlight conditions. Photocatalytic activity of vanadium doped TiO{sub 2} coatings increases with PEO time. Prolonged PEO times result in higher roughness of obtained coatings, thus increasing surface area available for methyl orange degradation. Vanadium doped TiO{sub 2} coatings obtained after 180 s of PEO time exhibit the best photocatalytic activity and about 67% of methyl orange is degraded after 12 h of irradiation under simulated sunlight. - Highlights: • One-step preparation of V-doped TiO{sub 2} coatings in 10 g/L Na{sub 3}PO{sub 4}·12H{sub 2}O + 0.5 g/L NH{sub 4}VO{sub 3}. • Properties of obtained coatings strongly depend on microdischarge characteristics. • Band gap of V-doped TiO{sub 2} coatings is shifted towards red side of the spectrum. • V-doped TiO{sub 2} coatings have better photocatalytic activity than pure TiO{sub 2}. • After 12 h of simulated sunlight irradiation, 67% of

  5. 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

  6. The borosulfates K{sub 4}[BS{sub 4}O{sub 15}(OH)], Ba[B{sub 2}S{sub 3}O{sub 13}], and Gd{sub 2}[B{sub 2}S{sub 6}O{sub 24}

    Energy Technology Data Exchange (ETDEWEB)

    Gross, Peter; Kirchhain, Arno; Hoeppe, Henning A. [Universitaet Augsburg, Institut fuer Physik (Germany)

    2016-03-18

    K{sub 4}[BS{sub 4}O{sub 15}(OH)], Ba[B{sub 2}S{sub 3}O{sub 13}], and Gd{sub 2}[B{sub 2}S{sub 6}O{sub 24}] were obtained by a new synthetic approach. The strategy involves initially synthesizing the complex acid H[B(HSO{sub 4}){sub 4}] which is subsequently reacted in an open system with anhydrous chlorides of K, Ba, and Gd to the respective borosulfates and a volatile molecule (HCl). Furthermore, protonated borosulfates should be accessible by appropriate stoichiometry of the starting materials, particularly in closed systems, which inhibit deprotonation of H[B(HSO{sub 4}){sub 4}] via condensation and dehydration. This approach led to the successful synthesis of the first divalent and trivalent metal borosulfates (Ba[B{sub 2}S{sub 3}O{sub 13}] with band-silicate topology and Gd{sub 2}[B{sub 2}S{sub 6}O{sub 24}] with cyclosilicate topology) and the first hydrogen borosulfate K{sub 4}[BS{sub 4}O{sub 15}(OH)]. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Modeling of silicon etching in CF sub 4 /O sub 2 and CF sub 4 /H sub 2 plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Trachtenberg, I.; Edgar, T.F. (Dept. of Chemical Engineering, Univ. of Texas at Austin, Austin, TX (US)); Venkatesan, S.P. (Morgantown Energy Technology Center, Morgantown, WV (US))

    1990-07-01

    A one-dimensional radial flow reactor model that includes fairly detailed free radical gas-phase chemistry has been developed for the etching of silicon in CF{sub 4}/O{sub 2} and CF{sub 4}/H{sub 2} plasmas. Attention has been restricted to transport and reaction of neutral species. The model equations were solved by orthogonal collocation. The sensitivities of the model predictions to flow rate, inlet gas composition, electron density, silicon loading, and other factors have been examined. The major loss path for fluorine atoms is different in CF{sub 4}/O{sub 2} and CF{sub 4}/H{sub 2} systems, and this results in significant qualitative differences in the parametric sensitivities of the two systems.

  8. Synthesis, structural and physico-chemical studies of the monocrystal superconductor oxides Hg Ba{sub 2} Ca{sub n-1} Cu{sub n} O{sub 2n+2+{delta}}; Synthese, etudes structurales et physico-chimiques de monocristaux d`oxydes supraconducteurs Hg Ba{sub 2} Ca{sub n-1} Cu{sub n} O{sub 2n+2+{delta}}

    Energy Technology Data Exchange (ETDEWEB)

    Viallet-Guillen, Virginie [Dept. de Recherche sur l` Etat Condense, CEA Centre d` Etudes de Saclay, 91 - Gif-sur-Yvette (France)

    1998-01-01

    The thesis presents the synthesis and the structural and physico-chemical properties of the mercury-based monocrystal superconductor oxides. The results reported in the first chapter refer to the first three members of the mercury cuprate series Hg-1201, Hg-1212 and Hg-1223. In the second chapter detailed results concerning the structure of these compounds are given highlighting the features common to all cuprates and pointing out the peculiarities of mercury phases. The third chapter presents the phase diagrams ({delta}, T, p(O{sub 2})) of the compounds HgBa{sub 2}CuO{sub 4+{delta}} and HgBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub 8+{delta}} obtained by thermogravimetry under controlled atmosphere between 150 deg.C and 500 deg.C and thermodynamic equilibrium conditions. In the case of Hg-1201, the critical temperature shows a variation close to a parabolic law, with an optimal Tc of 96 K ({delta}{approx_equal}0.10) while in Hg-1223 the Tc increases linearly with the O content up to the optimal Tc of 135 K ({delta}{approx_equal}0.19) and decreases only by 2 K in the over-doped regime. Finally, in the fourth chapter different physical properties are reviewed. The obtained monocrystals allowed studying the resistive transitory anisotropy, the torque, the specific heat, the nuclear magnetic resonance and the Raman diffusion 212 refs., 106 figs., 30 tabs.

  9. Thermodynamic properties of the solid solutions CuCr/sub 2/S/sub 4/ in Cu/sub 1///sub 2/M/sub 1///sub 2/Cr/sub 2/S/sub 4/ (M=Ga, In)

    Energy Technology Data Exchange (ETDEWEB)

    Titov, V.V.; Gordeev, I.V.; Kesler, Y.A.; Shchelkotunov, V.A.; Tret' yakov, Y.D.

    1985-09-01

    Using an adiabatic calorimeter and a quartz dilatometer, the temperature dependences of the heat capacity for the solid solutions CuCr/sub 2/S/sub 4/ in Cu/sub 1///sub 2/M/sub 1///sub 2/Cr/sub 2/S/sub 4/ (M - Ga, In) were determined, the different components of the heat capacity were evaluated, and the thermodynamic parameters of the magnetic transformation were calculated.

  10. Lattice dynamics of ZnAl{sub 2}O{sub 4} and ZnGa{sub 2}O{sub 4} under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Moreno, S.; Rodriguez-Hernandez, P.; Munoz, A. [Departamento de Fisica Fundamental II, MALTA Consolider Team, Instituto de Materiales y Nanotecnologia Universidad de La Laguna, La Laguna 38205, Tenerife (Spain); Romero, A.H. [CINVESTAV-Queretaro Libramiento Norponiente No 2000 Real de Juriquilla 76230 Queretaro, Qro (Mexico); Manjon, F.J. [Instituto de Diseno para la Fabricacion y Produccion Automatizada, MALTA Consolider Team, Universitat Politecnica de Valencia, 46022 Valencia (Spain); Errandonea, D. [Fundacion General de la Universidad de Valencia ICMUV, MALTA Consolider Team, Edificio de Investigacion, C/Dr. Moliner 50, Burjassot, 46100 Valencia (Spain); Rusu, E.; Ursaki, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, 2028 Chisinau (Moldova)

    2011-01-15

    In this work we present a first-principles density functional study of the vibrational properties of ZnAl{sub 2}O{sub 4} and ZnGa{sub 2}O{sub 4} as function of hydrostatic pressure. Based on our previous structural characterization of these two compounds under pressure, herewith, we report the pressure dependence on both systems of the vibrational modes for the cubic spinel structure, for the CaFe{sub 2}O{sub 4}-type structure (Pnma) in ZnAl{sub 2}O{sub 4} and for marokite (Pbcm) ZnGa{sub 2}O{sub 4}. Additionally we report a second order phase transition in ZnGa{sub 2}O{sub 4} from the marokite towards the CaTi{sub 2}O{sub 4}-type structure (Cmcm), for which we also calculate the pressure dependence of the vibrational modes at the {gamma} point. Our calculations are complemented with Raman scattering measurements up to 12 GPa that show a good overall agreement between our calculated and measured mode frequencies. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Li{sub 4}Ba[BN{sub 2}]{sub 2} - structure and vibrational spectra

    Energy Technology Data Exchange (ETDEWEB)

    Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Somer, Mehmet; Kiraz, Kamil [Chemistry Department, Koc University, Sariyer-Istanbul (Turkey)

    2017-12-13

    The nitridoborate Li{sub 4}Ba[BN{sub 2}]{sub 2} was synthesized from a 4:1 molar ratio of Li{sub 3}[BN]{sub 2} and Ba{sub 3}[BN{sub 2}]{sub 2} in an arc-welded niobium ampoule at a maximum annealing temperature of 1173 K. The structure was refined from single-crystal X-ray diffractometer data: new type, P1, a = 533.9(2), b = 585.0(3), c = 860.6(4) pm, α = 80.72(3), β = 73.84(6), γ = 89.87(4) , wR{sub 2} = 0.1196, 1429 F{sup 2} values, 50 variables. The Li{sub 4}Ba[BN{sub 2}]{sub 2} structure contains two crystallographically independent [BN{sub 2}]{sup 3-} units with 134 pm B-N distance, which are slightly bent: 178 for N2-B1-N1 and 175 for N4-B2-N3. Due to the high lithium content both [BN{sub 2}]{sup 3-} units have a strongly distorted coordination by 8Li{sup +} + 3Ba{sup 2+}. The four crystallographically independent lithium cations show distorted tetrahedral coordination by [BN{sub 2}]{sup 3-} units with Li-N distances ranging from 195 to 247 pm. IR and Raman spectra show the typical vibrations of the [BN{sub 2}] unit along with a well-resolved splitting of the ν({sup 10}B) and ν({sup 11}B) frequencies. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. 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)

  13. 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.

  14. 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.

  15. Ferroelectric phase transition in hydrogen-bonded 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4

    CERN Document Server

    Czapla, Z; Waskowska, A

    2003-01-01

    A new crystal of 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4 has been grown and its x-ray structure and physical properties were studied. At room temperature the crystals are monoclinic, space group C2/c. The flat 2-aminopyridine cations are hydrogen bonded to the anionic [PO sub 4 ] groups. The interesting feature of the crystal structure is the three-dimensional network of hydrogen bonds including, among others, two strong, symmetrical O centre dot centre dot centre dot H, H centre dot centre dot centre dot O interactions with disordered proton locations. Symmetrically related PO sub 4 anions linked through these protons form infinite (PO sub 4) subinfinity chains along the crystal a-axis. The anomalies in the temperature dependence of the electric permittivity showed that the crystal undergoes ferroelectric phase transition at T sub c = 103.5 K. The spontaneous polarization takes place along the crystal a-axis, being parallel to the chains of the hydrogen-bonded PO sub ...

  16. Photoluminescence in Pb{sup 2+} activated SrB{sub 4}O{sub 7} and SrB{sub 2}O{sub 4} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Gawande, A.B., E-mail: gawandeab@gmail.com [Department of Physics, SGB Amravati University, Amravati-444602, Maharashtra (India); Ingle, J.T. [J. D. Institute of Engineering and Technology, Yavatmal, Maharashtra (India); Sonekar, R.P., E-mail: sonekar_rp@yahoo.com [Department of Physics, G.S. College, Khamgaon District, Buldhana, Maharashtra (India); Omanwar, S.K. [Department of Physics, SGB Amravati University, Amravati-444602, Maharashtra (India)

    2014-05-01

    The powder samples of SrB{sub 4}O{sub 7}:Pb{sup 2+} and SrB{sub 2}O{sub 4}:Pb{sup 2+} were prepared by solution combustion synthesis method. The synthesis is based on the exothermic reaction between the fuel (Urea) and Oxidizer (Ammonium nitrate). The synthesized materials were characterized using TG–DTA, powder XRD, SEM and the photoluminescence properties were studied using a Hitachi F-7000 spectrophotometer at room temperature. Both the samples SrB{sub 4}O{sub 7}:Pb{sup 2+} and SrB{sub 2}O{sub 4}:Pb{sup 2+} show broad emission of Pb{sup 2+} respectively at 307 nm and 360 nm (corresponds to {sup 3}P{sub 1} to {sup 1}S{sub 0} transition). The optimum concentrations of Pb{sup 2+} in both the phosphors SrB{sub 4}O{sub 7}:Pb{sup 2+} and SrB{sub 2}O{sub 4}:Pb{sup 2+} were found to be 3 mol% (relative to Sr) and for this concentration the critical transfer distance R{sub 0} were calculated to be 10.21 Å and 12.22 Å respectively. The Stokes shifts were calculated to be respectively 4464 cm{sup −1} and 8454 cm{sup −1}. The emission bands of both the phosphors are in the UV region and the phosphors can be potential candidates for application in UV lamps. - Highlights: • SrB{sub 4}O{sub 7}:Pb{sup 2+} and SrB{sub 2}O{sub 4}:Pb{sup 2+} have been synthesized by Novel solution combustion synthesis technique. • The synthesized materials were characterized using TG–DTA, powder XRD and SEM. • Photoluminescence spectra of synthesized materials showed the characteristic transition in Pb{sup 2+}. • Stokes shift, optimum concentration and critical transfer distance R{sub 0} were determined.

  17. Popcorn balls-like ZnFe{sub 2}O{sub 4}-ZrO{sub 2} microsphere for photocatalytic degradation of 2,4-dinitrophenol

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xi [College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Liu, Yutang [Key Laboratory of Environmental Biology and Pollution Control (Hunan University), Ministry of Education, Changsha 410082 (China); Xia, Xinnian, E-mail: xnxia@hnu.edu.cn [College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Wang, Longlu [College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Chemo/Biosensing and Chemometrics, Hunan University, Changsha 410082 (China)

    2017-06-15

    Highlights: • Popcorn balls-like microsphere photocatalyst. • High photocatalytic activity toward 2,4-DNP degradation. • Degradation kinetics, mechanism, active species were analyzed. • Excellent stable recycling performance. - Abstract: In this paper, novel popcorn balls-like ZnFe{sub 2}O{sub 4}-ZrO{sub 2} composite microspheres were successfully fabricated by a simple hydrothermal method. The morphology, structure and optical property of the microspheres were characterized. The microspheres were used as the photocatalysts to degrade 2,4-dinitrophenol, and exhibited superior photocatalytic performance. Under simulated solar visible light irradiation, the degradation rate of ZnFe{sub 2}O{sub 4}-ZrO{sub 2} photocatalyst (mass ratio of ZnFe{sub 2}O{sub 4}/ZrO{sub 2} = 2:1) was almost 7.4 and 2.4 times higher than those of pure ZnFe{sub 2}O{sub 4} and ZrO{sub 2}. The enhancement could attribute to stronger light absorption, lower carrier recombination and multi-porous structure of the microspheres. Moreover, the popcorn balls-like photocatalysts can be easily separated, because of the magnetism of the samples. After five times runs, the photocatalyst still showed 90% of its photocatalytic degradation efficiency. This work demonstrated a good prospect for removing organic pollutants in water.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-15

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

  19. 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.

  20. Structure of Na/sub 2/As/sub 4/O/sub 11/

    Energy Technology Data Exchange (ETDEWEB)

    Driss, A.; Jouini, T.; Omezzine, M.

    1988-05-15

    Disodium tetraarsenate, M/sub r/=521.66, monoclinic, C2/c, a=9.049(3), b=8.287(3), c=11.508(5) A, ..beta..=102.74(4)/sup 0/, V=842(2) A/sup 3/, Z=4, D/sub m/=4.06 (by flotation), D/sub x/=4.11 Mg m/sup -3/, lambda(AgK anti ..cap alpha..)=0.5608 A, ..mu..=8.6 mm/sup -1/, F(000)=968, room temperature, final R=0.046 and ..omega..R=0.048 for 1153 independent reflections. The main feature of this structure is the existence of the first three-dimensional anion (As/sub 4/O/sub 11/)/sub n//sup 2n-/ in the chemistry of the condensed arsenates. It has the lowest O/As ratio (2.75) of the known arsenates showing marked condensation: all the O atoms are shared except one per AsO/sub 4/ tetrahedron. The structural unit is the As/sub 4/O/sub 15/ ring with point symmetry 2, built up from alternate AsO/sub 4/ tetrahedra and AsO/sub 6/ octahedra sharing corners. In addition, the two octahedra share one O atom located on the 2 axis. The As/sub 4/O/sub 15/ ring derives from the known centrosymmetric As/sub 4/O/sub 14/ ring by the cleavage of one As-O-As linkage between the two octahedra of the ring to form two new As-O-As linkages with AsO/sub 4/ tetrahedra connecting two rings, leading to a decrease of the O/As ratio. The As/sub 4/O/sub 15/ rings are further linked by sharing edges of AsO/sub 6/ octahedra to form a three-dimensional framework. This completes the set of the already known arrangements of the As/sub 4/O/sub 14/ ring (isolated units, infinite chains, layers).

  1. Spontaneous piezoelectric effect as order parameter in (NH{sub 4}){sub 2}CuBr{sub 42H{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 42H{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. REAuAl{sub 4}Ge{sub 2} and REAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (RE=rare earth element): Quaternary intermetallics grown in liquid aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Xiuni, Wu [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States); Kanatzidis, Mercouri G [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)

    2005-11-15

    The two families of intermetallic phases REAuAl{sub 4}Ge{sub 2} (1) (RE=Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Er, Tm and Yb) and REAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (2) (x=0.4) (RE=Ce and Eu) were obtained by the reactive combination of RE, Au and Ge in liquid aluminum. The structure of (1) adopts the space group R-3m (CeAuAl{sub 4}Ge{sub 2}, a=4.2384(7)A, c=31.613(7)A; NdAuAl{sub 4}Ge{sub 2}, a=4.2258(4)A, c=31.359(5)A; GdAuAl{sub 4}Ge{sub 2}, a=4.2123(6)A, c=30.994(6)A; ErAuAl{sub 4}Ge{sub 2}, a=4.2074(4)A, c=30.717(5)A). The structure of (2) adopts the tetragonal space group P4/mmm with lattice parameters: a=4.3134(8)A, c=8.371(3)A for EuAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (x=0.4). Both structure types present slabs of ''AuAl{sub 4}Ge{sub 2}'' or ''AuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2}'' stacking along the c-axis with layers of RE atoms in between. Magnetic susceptibility measurements indicate that the RE atoms (except for Ce and Eu) possess magnetic moments consistent with +3 species. The Ce atoms in CeAuAl{sub 4}Ge{sub 2} and CeAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (x=0.4) appear to be in a mixed +3/+4 valence state; DyAuAl{sub 4}Ge{sub 2} undergoes an antiferromagnetic transition at 11K and below this temperature exhibits metamagnetic behavior. The Eu atoms in EuAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (x=0.4) appear to be in a 2+ oxidation state.

  3. MnFe{sub 2}O{sub 4} as a gas sensor towards SO{sub 2} and NO{sub 2} gases

    Energy Technology Data Exchange (ETDEWEB)

    Rathore, Deepshikha, E-mail: deep.nano@gmail.com; Mitra, Supratim [Department of Natural Sciences, NIIT University, Neemrana, Rajasthan 301705 (India)

    2016-05-06

    The chemical co-precipitation method was used to synthesize MnFe{sub 2}O{sub 4} nanoparticles. Single cubic phase formation of nanoparticles was confirmed by X-ray diffraction technique. The average particle size of MnFe{sub 2}O{sub 4} nanoparticles was found to be 10.7 nm using Scherrer formula. The ultrafine powder of MnFe{sub 2}O{sub 4} nanoparticles was pressed to design pellet of 10 mm diameter and 1mm thickness. Copper electrodes have been deposited on the surface of pellet using silver paste in the form of capacitor. Fabricated gas sensing device of MnFe{sub 2}O{sub 4} nanoparticles was tested towards SO{sub 2} and NO{sub 2} gases. Cole-Cole plot of MnFe{sub 2}O{sub 4} was investigated with the help of electrochemical workstation. The performance of the sensors including sensitivity, response and recovery time was also determined. It was observed that the MnFe{sub 2}O{sub 4} nanoparticles are more sensible for NO{sub 2} gas as compared to SO{sub 2} gas.

  4. Light harvesting enhancement for dye-sensitized solar cells by novel anode containing cauliflower-like TiO{sub 2} spheres

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Lei [Beijing National Laboratory for Molecular Science, Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Lin, Yuan; Xiao, Xurui; Li, Xueping; Zhou, Xiaowen [Beijing National Laboratory for Molecular Science, Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080 (China); Jia, Jianguang [Department of Chemistry, School of Science, Beijing University of Chemical Technology, Beijing 100029 (China)

    2008-07-15

    Cauliflower-like TiO{sub 2} rough spheres, which are about 200 nm large, have greatly enhanced light harvesting efficiency and energy conversion efficiency of dye-sensitized solar cells (DSC), due to their high light scattering effect and large BET surface area (80.7 m{sup 2} g{sup -1}) even after calcinations at 450 C for 30 min. The large size TiO{sub 2} rough and smooth spheres, produced at different initial temperatures by hydrolysis of Ti(OBu){sub 4} with P105 (EO{sub 37}PO{sub 56}EO{sub 37}) or F68 (EO{sub 78}PO{sub 30}EO{sub 78}) tri-block copolymer as structural agents, have nearly the same diameter of {proportional_to}275 nm and strong light scattering effects in the wavelength of 400-750 nm. However, rough spheres have even higher light scattering effect and larger BET surface area than smooth spheres for the roughness of the surface. By adding 25 wt.% large TiO{sub 2} spheres into the over-layer of TiO{sub 2} film composed of {proportional_to}20 nm TiO{sub 2} particles as light scattering centers, the energy conversion efficiency of the film containing rough spheres reaches 7.36%, much larger than that of smooth spheres (6.25%). From another point of view, the TiO{sub 2} rough spheres may have the satisfying ability in other fields of application such as photo-catalysis, drug carriers and so on. (author)

  5. Facile fabrication of hydrophobic surfaces on mechanically alloyed-Mg/HA/TiO{sub 2}/MgO bionanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Khalajabadi, Shahrouz Zamani [Medical Devices and Technology Group (MEDITEG), Faculty of Biosciences and Medical Engineering, Universiti Teknologi Malaysia, 81310 Johor Bahru, Johor (Malaysia); Abdul Kadir, Mohammed Rafiq, E-mail: rafiq@biomedical.utm.my [Medical Devices and Technology Group (MEDITEG), Faculty of Biosciences and Medical Engineering, Universiti Teknologi Malaysia, 81310 Johor Bahru, Johor (Malaysia); Izman, Sudin; Mohd Yusop, Mohd Zamri [Department of Materials, Manufacturing and Industrial Engineering, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia, 81310 Johor Bahru, Johor (Malaysia)

    2015-01-01

    Highlights: • Mg/HA/TiO{sub 2}-based nanocomposite was produced using mechanical alloying. • The hydrophobic surface coverage was fabricated on the mechanical alloyed samples by annealing. • The morphological characteristics, phase evolution and wettability of nanocomposites and the hydrophobic surface coverage were investigated. • The activation energies and reaction kinetic of the powder mixture of nanocomposites were calculated. - Abstract: The effect of mechanical alloying and post-annealing on the phase evolution, microstructure, wettability and thermal stability of Mg–HA–TiO{sub 2}–MgO composites was investigated in this study. Phase evolution and microstructure analysis were performed using X-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy and atomic force microscopy, as well as the wettability determined by contact angle measurements with SBF. The 16-h mechanical alloying resulted in the formation of MgTiO{sub 3}, CaTiO{sub 3}, Mg{sub 3}(PO{sub 4}){sub 2} and Mg(OH){sub 2} phases and a decrease in wettability of the nanocomposites. A hydrophobic film with hierarchical structures comprising nanoflakes of MgTiO{sub 3}, nano-cuboids of CaTiO{sub 3}, microspheres of Mg{sub 3}(PO{sub 4}){sub 2} and Mg(OH){sub 2} was successfully constructed on the surface of the Mg-based nanocomposites substrates as a result of the post-annealing process. After 1-h annealing at 630 °C, the synthesized hydrophobic surface on the nanocomposite substrates decreased the wettability, as the 8-h-mechanically alloyed samples exhibited a contact angle close to 93°. The formation activation energies and reaction kinetics of the powder mixture were investigated using differential thermal analysis and thermal gravimetric analysis. The released heat, weight loss percentage and reaction kinetics increased, while the formation activation energies of the exothermic reactions decreased following an increase in the milling time.

  6. 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.

  7. XPS and EELS characterization of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Grosvenor, A.P., E-mail: andrew.grosvenor@usask.ca [Department of Chemistry, University of Saskatchewan, Saskatoon, SK S7N 5C9 (Canada); Bellhouse, E.M., E-mail: erika.bellhouse@arcelormittal.com [Global R & D—Hamilton, ArcelorMittal Dofasco, 1330 Burlington St. E, Hamilton, ON L8N 3J5 (Canada); Korinek, A., E-mail: korinek@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); Bugnet, M., E-mail: bugnetm@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); McDermid, J.R., E-mail: mcdermid@mcmaster.ca [Steel Research Centre, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada)

    2016-08-30

    Graphical abstract: XPS and EELS spectra were acquired from Mn2Al2O4, MnSiO3 and Mn2SiO4 standards and unique features identified that will allow unambiguous identification of these compounds when studying the selective oxidation of advanced steels. - Highlights: • Mn2Al2O4, MnSiO3 and Mn2SiO4 standards were synthesized and characterized using both XPS and EELS. • Unique features in both the XPS high resolution and EELS spectra were identified for all compounds. • The spectra can be used to identify these compounds when studying the selective oxidation of steels. - Abstract: X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn{sub 2}SiO{sub 4}, MnSiO{sub 3}, and MnAl{sub 2}O{sub 4} by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

  8. Neonatal Phosphate Nutrition Alters in Vivo and in Vitro Satellite Cell Activity in Pigs

    Directory of Open Access Journals (Sweden)

    Chad H. Stahl

    2012-05-01

    Full Text Available Satellite cell activity is necessary for postnatal skeletal muscle growth. Severe phosphate (PO>4sub> deficiency can alter satellite cell activity, however the role of neonatal PO>4sub> nutrition on satellite cell biology remains obscure. Twenty-one piglets (1 day of age, 1.8 ± 0.2 kg BW were pair-fed liquid diets that were either PO>4sub> adequate (0.9% total P, supra-adequate (1.2% total P in PO>4sub> requirement or deficient (0.7% total P in PO>4sub> content for 12 days. Body weight was recorded daily and blood samples collected every 6 days. At day 12, pigs were orally dosed with BrdU and 12 h later, satellite cells were isolated. Satellite cells were also cultured in vitro for 7 days to determine if PO>4sub> nutrition alters their ability to proceed through their myogenic lineage. Dietary PO>4sub> deficiency resulted in reduced (P < 0.05 sera PO>4sub> and parathyroid hormone (PTH concentrations, while supra-adequate dietary PO>4sub> improved (P < 0.05 feed conversion efficiency as compared to the PO>4sub> adequate group. In vivo satellite cell proliferation was reduced (P < 0.05 among the PO>4sub> deficient pigs, and these cells had altered in vitro expression of markers of myogenic progression. Further work to better understand early nutritional programming of satellite cells and the potential benefits of emphasizing early PO>4sub> nutrition for future lean growth potential is warranted.

  9. Exploring the thermoelectric and magnetic properties of uranium selenides: Tl{sub 2}Ag{sub 2}USe{sub 4} and Tl{sub 3}Cu{sub 4}USe{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Azam, Sikander; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 30614 Pilsen (Czech Republic); Din, Haleem Ud [Department of Physics, Hazara University, Mansehra (Pakistan); Khenata, Rabah [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Goumri-Said, Souraya, E-mail: sosaid@alfaisal.edu [College of Science, Physics department, Alfaisal University, P.O. Box 50927, Riyadh 11533 (Saudi Arabia)

    2016-09-01

    The electronic, magnetic and thermoelectric properties of Tl{sub 2}Ag{sub 2}USe{sub 4} and Tl{sub 3}Cu{sub 4}USe{sub 6} compounds were investigated using the full potential linear augmented plane wave (FP-LAPW) method based on the density functional theory (DFT). The exchange correlation was treated with the generalized gradient approximation plus optimized effective Hubbard parameter and spin–orbit coupling (GGA+U+SOC). The present uranium selenides show narrow direct energy band gap values of 0.7 and 0.875 eV for Tl{sub 2}Ag{sub 2}USe{sub 4} and Tl{sub 3}Cu{sub 4}USe{sub 6} respectively. For both selenides U-d/f states are responsible for electrical transport properties. Uranium atoms were the most contributors in the magnetic moment compared to other atoms and show ferromagnetic nature. The spin density isosurfaces show the polarization of neighboring atoms of Uranium, such as silver/copper and selenium. Thermoelectric calculations reveal that Tl{sub 3}Cu{sub 4}USe{sub 6} is more suitable for thermoelectric device applications than Tl{sub 2}Ag{sub 2}USe{sub 4}. - Highlights: • Electronic, magnetic and thermoelectric properties of uranium selenides are investigated with DFT. • They show a narrow direct energy band gap of 0.7 and 0.875 eV. • U-d/f states are responsible for electrical transport properties. • Tl{sub 3}Cu{sub 4}USe{sub 6} is more suitable for thermoelectric device applications than Tl{sub 2}Ag{sub 2}USe{sub 4}.

  10. Controllable solvothermal synthesis and photocatalytic properties of complex (oxy)fluorides K{sub 2}TiOF{sub 4}, K{sub 3}TiOF{sub 5}, K{sub 7}Ti{sub 4}O{sub 4}F{sub 7} and K{sub 2}TiF{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Sheng Jie [Division of Nanomaterials and Nanochemistry, Hefei National Laboratory for Physical Sciences at Microscale, Hefei, Anhui 230026 (China); Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026 (China); Tang Kaibin, E-mail: kbtang@ustc.edu.cn [Division of Nanomaterials and Nanochemistry, Hefei National Laboratory for Physical Sciences at Microscale, Hefei, Anhui 230026 (China); Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026 (China); Cheng Wei; Wang Junli; Nie Yanxiang; Yang Qing [Division of Nanomaterials and Nanochemistry, Hefei National Laboratory for Physical Sciences at Microscale, Hefei, Anhui 230026 (China); Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2009-11-15

    Complex (oxy)fluorides K{sub 2}TiF{sub 6}, K{sub 2}TiOF{sub 4}, K{sub 3}TiOF{sub 5} and K{sub 7}Ti{sub 4}O{sub 4}F{sub 7} have been successfully synthesized for the first time through a controllable solvothermal route involving different solvents, for example, methanol, methanol-H{sub 2}O and methanol-H{sub 2}O{sub 2}. The as-prepared products were characterized by X-ray powder diffraction, N{sub 2} surface area adsorption, scanning electron microscope, Fourier transform infrared spectroscopy, UV-vis absorption spectra and X-ray fluorescence. The influences of reaction conditions such as the ratio of methanol to H{sub 2}O{sub 2} or methanol to H{sub 2}O, reaction temperature on the phase, crystallizability and purity of the (oxy)fluorides products were discussed in detail. Meanwhile, the photocatalytic behaviors of the as-prepared K{sub 2}TiF{sub 6}, K{sub 2}TiOF{sub 4}, K{sub 3}TiOF{sub 5} and K{sub 7}Ti{sub 4}O{sub 4}F{sub 7} were evaluated by degradation of rhodamine B molecules, and the results showed that all of the products possessed photocatalytic activities in the order of K{sub 2}TiOF{sub 4} > K{sub 2}TiF{sub 6} > K{sub 7}Ti{sub 4}O{sub 4}F{sub 7} > K{sub 3}TiOF{sub 5} at room temperature under the UV light.

  11. Erbium-doped borosilicate glasses containing various amounts of P{sub 2}O{sub 5} and Al{sub 2}O{sub 3}: Influence of the silica content on the structure and thermal, physical, optical and luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Bourhis, Kevin [Politecnico di Torino, DISAT, Istituto di Ingegneria e Fisica dei Materiali, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy); Massera, Jonathan [Department of Electronics and Communications Engineering, Tampere University of Technology, Korkeakoulunkatu 3, FI-33720 Tampere (Finland); BioMediTech, Tampere (Finland); Petit, Laeticia, E-mail: laeticia.petit@nlight.net [Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, FI-20500 Turku (Finland); nLIGHT Corporation, Sorronrinne 9, FI-08500 Lohja (Finland); Koponen, Joona [nLIGHT Corporation, Sorronrinne 9, FI-08500 Lohja (Finland); Fargues, Alexandre; Cardinal, Thierry [CNRS, Université de Bordeaux, ISM, 351 Cours de la Libération, F-33405 Talence (France); Hupa, Leena; Hupa, Mikko [Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, FI-20500 Turku (Finland); Dussauze, Marc; Rodriguez, Vincent [CNRS, Université de Bordeaux, ICMCB, 87 Avenue du Dr Schweitzer, F-33608 Pessac (France); Ferraris, Monica [Politecnico di Torino, DISAT, Istituto di Ingegneria e Fisica dei Materiali, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy)

    2015-10-15

    Highlights: • Er{sup 3+} doped borosilicate glasses were processed with different compositions and characterizations. • An increase in the SiO{sub 2} content leads to a silicate-rich environment around the Er{sup 3+} site. • An increase in the SiO{sub 2} content decreases the Er{sup 3+} absorption cross-section at 980 nm. • Glasses with 60 mol% of SiO{sub 2} exhibit a stronger emission intensity at 1530 nm than glasses with x = 50. • Highest 1.5 μm emission intensity was achieved for the Al and P containing glass with 60 mol% of SiO{sub 2}. - Abstract: The influence of the silica content on several properties of Er-doped borosilicate glasses in the presence of various amounts of P{sub 2}O{sub 5} and Al{sub 2}O{sub 3} has been investigated. The introduction of P{sub 2}O{sub 5} and/or Al{sub 2}O{sub 3} are responsible for structural modifications in the glass network through a charge-compensation mechanism related to the formation of negatively-charged PO{sub 4} and AlO{sub 4} groups or through the formation of AlPO{sub 4}-like structural units. In this paper, we show that an increase in the SiO{sub 2} content leads to a silicate-rich environment around the Er{sup 3+} site, resulting in an increased dependence of the Er{sup 3+} ions optical and luminescence properties on the P{sub 2}O{sub 5} and/or Al{sub 2}O{sub 3} concentration. The highest emission intensity at 1.5 μm was achieved for the glass with an equal proportion of P and Al in the glass system with 60 mol% of SiO{sub 2}.

  12. Obtention of agricultural gypsum traced on {sup 34} S (Ca{sup 34} SO{sub 4}.2H{sub 2}O), by chemical reaction between H{sub 2}{sup 34} SO{sub 4} and Ca(OH){sub 2}; Obtencao do gesso agricola marcado no {sup 34} S (Ca{sup 34} SO{sub 4}.2H{sub 2}O), por reacao quimica entre o H{sub 2}{sup 34} SO{sub 4} e Ca(OH){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Rossete, Alessandra L.R.M.; Bendassolli, Jose A.; Ignoto, Raquel de Fatima; Batagello, Hugo Henrique [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Isotopos Estaveis

    2002-07-01

    The gypsum (CaSO{sub 4}.2H{sub 2}O) has double function in the soil: as source of calcium and sulfur and reducing agent of aluminum saturation. The sulfur for the plants has acting in the vital functions and it is proven fact increase of the S deficiency in Brazilian soils. The isotope tracer {sup 34} S can elucidate important aspects in the sulfur cycle. The Ca{sup 34} SO{sub 4}.2H{sub 2}O was obtained by chemical reaction between Ca(OH){sub 2} and H{sub 2}{sup 34} SO{sub 4} solution. The acid was obtained by chromatography ionic change, using cationic resin Dowex 50WX8 and Na{sub 2}{sup 34} SO{sub 4} solution. The reaction was realized under slow agitation. After the reaction, the precipitate was separated and dried in ventilated stove at 60 deg C temperature. The Mass of the Ca{sup 34} SO{sub 4}.2H{sub 2}O produced was determined by method gravimetric. This way, a system contends resin 426 cm{sup 3}, considering volume of 2.2 liters can be obtained a solution contends 44.2 g of H{sub 2}{sup 34} SO{sub 4}, theoretically could be produced 78.0 g of Ca{sup 34} SO{sub 4}.2H{sub 2}O approximately. With results of the tests were verified that there was not total precipitation of the Ca{sup 34}SO{sub 4}.2H{sub 2}O. Were produced 73.7{+-} 0.6 g of Ca{sup 34} SO{sub 4}.2H{sub 2}O representing average income 94.6{+-}0.8 %. The purity of the produced CaSO{sub 4}.2H{sub 2}O was 98%. (author)

  13. Enrichment of Sc{sub 2}O{sub 3} and TiO{sub 2} from bauxite ore residues

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Bona; Li, Guanghui, E-mail: liguangh@csu.edu.cn; Luo, Jun; Ye, Qing; Liu, Mingxia; Peng, Zhiwei; Jiang, Tao

    2017-06-05

    Highlights: • Sc{sub 2}O{sub 3} and TiO{sub 2} from bauxite ore residue were successfully enriched. • H{sub 3}PO{sub 4} and NaOH were efficient for enriching Sc{sub 2}O{sub 3} and TiO{sub 2} by removing SiO{sub 2}, Al{sub 2}O{sub 3}, and partial Fe{sub 2}O{sub 3} and CaO. • Enriching mechanism of Sc{sub 2}O{sub 3} and TiO{sub 2} was explicitly explained. - Abstract: As a major byproduct generated in the alumina industry, bauxite ore residue is an important reserve of scandium and titanium. In this study, the feasibility and mechanism of enriching Sc{sub 2}O{sub 3} and TiO{sub 2} from a non-magnetic material, which was obtained from carbothermal reductive roasting and magnetic separation of bauxite ore residue, were investigated based on a two-step (acidic and alkali) leaching process. It was revealed that approximately 78% SiO{sub 2} and 30–40% of CaO, FeO and Al{sub 2}O{sub 3} were removed from a non-magnetic material with 0.0134 wt.% Sc{sub 2}O{sub 3} and 7.64 wt.% TiO{sub 2} by phosphoric acidic leaching, while about 95% Al{sub 2}O{sub 3} and P{sub 2}O{sub 5} were further leached by subsequent sodium hydroxide leaching of the upper-stream leach residue. A Sc{sub 2}O{sub 3}-, TiO{sub 2}- rich material containing 0.044 wt.% Sc{sub 2}O{sub 3} and 25.5 wt.% TiO{sub 2} was obtained, the recovery and the enrichment factor of Sc{sub 2}O{sub 3} and TiO{sub 2} were about 85% and 5, respectively. The enrichment of Sc{sub 2}O{sub 3} was attributed to higher pH (>3.3) of phosphoric acid solution than its dissolution pH{sup 0}, and the enrichment of TiO{sub 2} was mainly associated with the insoluble perovskite (CaTiO{sub 3}) in the acidic solution at ambient temperature. As Sc{sub 2}O{sub 3} and TiO{sub 2} cannot be dissolved in the alkali solution, they were further enriched in the leach residue.

  14. 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.

  15. Unconventional superconductivity in Sr{sub 2}RuO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ying [Department of Physics and Materials Research Institute, Pennsylvania State University, University Park, PA 16802 (United States); Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093 (China); Mao, Zhi-Qiang [Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118 (United States)

    2015-07-15

    Highlights: • Constraints on and experimental support to unconventional superconductivity in Sr{sub 2}RuO{sub 4}. • Phase-sensitive determination of the pairing symmetry in Sr{sub 2}RuO{sub 4}. • Response of superconductivity to mechanical perturbations. • Superconductivity in non-bulk Sr{sub 2}RuO{sub 4}. • Unresolved issues and outlook in Sr{sub 2}RuO{sub 4} research. - Abstract: Sr{sub 2}RuO{sub 4}, featuring a layered perovskite crystalline and quasi-two-dimensional electronic structure, was first synthesized in 1959. Unconventional, p-wave pairing was predicted for Sr{sub 2}RuO{sub 4} by Rice and Sigrist and Baskaran shortly after superconductivity in this material was discovered in 1994. Experimental evidence for unconventional superconductivity in Sr{sub 2}RuO{sub 4} has been accumulating in the past two decades and reviewed previously. In this article, we will first discuss constraints on the pairing symmetry of superconductivity in Sr{sub 2}RuO{sub 4} and summarize experimental evidence supporting the unconventional pairing symmetry in this material. We will then present several aspects of the experimental determination of the unconventional superconductivity in Sr{sub 2}RuO{sub 4} in some detail. In particular, we will discuss the phase-sensitive measurements that have played an important role in the determination of the pairing symmetry in Sr{sub 2}RuO{sub 4}. The responses of superconductivity to the mechanical perturbations and their implications on the mechanism of superconductivity will be discussed. A brief survey of various non-bulk Sr{sub 2}RuO{sub 4} will also be included to illustrate the many unusual features resulted from the unconventional nature of superconductivity in this material system. Finally, we will discuss some outstanding unresolved issues on Sr{sub 2}RuO{sub 4} and provide an outlook of the future work on Sr{sub 2}RuO{sub 4}.

  16. Radiolytic oxidation of tamoxifen using the free radicals {sup .}OH and (or) HO{sub 2}{sup .}; Oxydation radiolytique du tamoxifene par les radicaux libres {sup .}OH et (ou) HO{sub 2}{sup .}

    Energy Technology Data Exchange (ETDEWEB)

    Leguene, C. [Lab. de Chimie-Physique, Centre national de la recherche scientifique, CNRS, Univ. Rene Descartes, Paris (France); Clavere, P. [Service de Radiotherapie et d' Oncologie, Centre hospitalier universitaire, CHU, Dupuytren, Limoges (France); Jore, D.; Gardes-Albert, M. [Lab. de Chimie-Physique, Centre national de la recherche scientifique, CNRS, Univ. Rene Descartes, Paris (France)

    2001-02-01

    Tamoxifen is the most widely used antiestrogen in the treatment of breast cancer. In this work, we have studied its antioxidant properties. We have investigated the ability of tamoxifen to scavenge, in vitro, {sup .}OH and (or) HO{sub 2}{sup .} free radicals that are produced by water radiolysis. Aqueous solutions of tamoxifen of concentrations ranging between 10{sup -5} and 2.5 x 10{sup -5} M have been irradiated ({gamma} {sup 137}Cs) in aerated acidic medium (H{sub 3}PO{sub 4} 10{sup -3} M or HCOOH 10{sup -1} M). The results show that tamoxifen reacts quantitatively with {sup .}OH free radicals but does not react with HO{sub 2}{sup .} free radicals under our experimental conditions. (author)

  17. The oxidation of ReCl{sub 5} with oleum: synthesis and crystal structure of Re{sub 2}O{sub 4}Cl{sub 4}(SO{sub 4})

    Energy Technology Data Exchange (ETDEWEB)

    Betke, Ulf; Wickleder, Mathias S. [Carl von Ossietzky University of Oldenburg, Institute of Pure and Applied Chemistry (Germany)

    2012-01-15

    The reaction of ReCl{sub 5} and fuming sulfuric acid (25 % SO{sub 3}) in a sealed glass tube at 200 C led to red, needle shaped single crystals of Re{sub 2}O{sub 4}Cl{sub 4}(SO{sub 4}) (monoclinic, C2/c, a = 1501.8(2) pm, b = 1545.9(2) pm, c = 945.18(8) pm, β = 98.761(9) , Z = 8). In the crystal structure the [ReO{sub 2}] moieties are linked by [SO{sub 4}]{sup 2-} tetrahedra to chains along the [101] direction. Each sulfate ion connects four rhenium atoms, additional two chloride ions complete the octahedral coordination sphere of each rhenium atom according to {sup 1}{sub ∞}[ReO{sub 2/1}Cl{sub 2/1}(SO{sub 4}){sub 2/4}]. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-11-17

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

  19. 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.)

  20. Calcium phosphate-gold nanoparticles nanocomposite for protein adsorption and mediator-free H{sub 2}O{sub 2} biosensor construction

    Energy Technology Data Exchange (ETDEWEB)

    Xu Qin [College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Jiangsu Key Laboratory of Environmental Engineering and Monitoring, Yangzhou 225002 (China); Lu Guiju; Bian XiaoJun; Jin Gendi [College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Wang Wei [School of Chemical and Biological Engineering, Yancheng Institute of Technology, Yancheng, 224051 (China); Hu Xiaoya, E-mail: xyhu@yzu.edu.cn [College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Jiangsu Key Laboratory of Environmental Engineering and Monitoring, Yangzhou 225002 (China); Wang Yang; Yang Zhanjun [College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China)

    2012-04-01

    This work reports a new method for the preparation and application of a kind of biocompatible calcium phosphate-gold nanoparticles (Ca{sub 3}(PO{sub 4}){sub 2}-AuNPs) nanocomposite. UV-vis spectroscopy and transmittance electron microscopy (TEM) have been used to monitor the formation process of the nanocomposite and to examine the interaction between calcium phosphate and gold nanoparticles (AuNPs). The nanocomposite has multiple sites and improved conductivity which make it suitable for the binding of proteins to construct electrochemical sensors. Myoglobin (Mb) adsorbed on the nanocomposite retained its native structure which was proved by Fourier transform infrared spectroscopy (FTIR). Direct electron transfer between the adsorbed Mb and the electrode was observed. Further results demonstrated that the adsorbed Mb has good electrocatalytic activity towards the reduction of H{sub 2}O{sub 2} in the absence of any mediator. Highlights: Black-Right-Pointing-Pointer Using gelatin modified gold nanoparticles to prepare needle-like calcium phosphate. Black-Right-Pointing-Pointer Calcium phosphate provides multiple sites for protein adsorption. Black-Right-Pointing-Pointer Gold nanoparticles act as electron tunneling. Black-Right-Pointing-Pointer Myoglobin adsorbed on the material showed direct electrochemistry and good catalysis.

  1. Photoelectric properties and charge dynamics in ZnO nanowires/Cu{sub 4}Bi{sub 4}S{sub 9} and ZnO nanowires/In{sub 2}O{sub 3}/Cu{sub 4}Bi{sub 4}S{sub 9} heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiangyang, E-mail: lxy081276@126.com, E-mail: yzgu@henu.edu.cn; Wang, Shun; Gu, Yuzong, E-mail: lxy081276@126.com, E-mail: yzgu@henu.edu.cn [Institue of Microsystems Physics and School of Physics and Electronics, Henan University, Kaifeng 475004 (China); Zhang, Jingwei; Zhang, Jiwei [The Key Laboratory for Special Functional Materials of MOE, Henan University, Kaifeng 475004 (China)

    2014-12-28

    ZnO nanowires arrays were preformed in a horizontal double-tube system. Two types of heterostructures (ZnO nanowires/Cu{sub 4}Bi{sub 4}S{sub 9} and ZnO nanowires/In{sub 2}O{sub 3}/Cu{sub 4}Bi{sub 4}S{sub 9}) and three-dimensional solar cells were fabricated with ZnO nanowires arrays as working electrode, In{sub 2}O{sub 3} as buffer layer, and Cu{sub 4}Bi{sub 4}S{sub 9} as inorganic dye and hole collector. It is suggested that two types of heterostructures have the similar absorption properties with single Cu{sub 4}Bi{sub 4}S{sub 9}. However, the results of steady state and electric field-induced surface photovoltage indicate that ZnO nanowires/In{sub 2}O{sub 3}/Cu{sub 4}Bi{sub 4}S{sub 9} exhibits the higher photovoltaic response than ZnO nanowires/Cu{sub 4}Bi{sub 4}S{sub 9}. Using the transient surface photovoltage spectroscopy, we further studied the separation and transport mechanism of photogenerated charges. Furthermore, Cu{sub 4}Bi{sub 4}S{sub 9}/In{sub 2}O{sub 3}/ZnO cells presents the better performance than Cu{sub 4}Bi{sub 4}S{sub 9}/ZnO cells and the highest efficiencies are about 6.4% and 5.2%, respectively. It is suggested that direct paths, interface barrier, built-in electric field, and double energy level matchings between conduction bands (Cu{sub 4}Bi{sub 4}S{sub 9} and In{sub 2}O{sub 3}, In{sub 2}O{sub 3} and ZnO) have obvious effect on the separation of photogenerated charges. Then we discussed the synthetic action on the charge dynamics from these factors.

  2. 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)

  3. 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/.

  4. Crystallographic isomorphism in the structural type of α-HgI{sub 2} by example of KHgI{sub 3} · H{sub 2}O, β-Ag{sub 2}HgI{sub 4}, and β-Cu{sub 2}HgI{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Borisov, S. V., E-mail: borisov@niic.nsc.ru; Magarill, S. A.; Pervukhina, N. V. [Russian Academy of Sciences, Nikolaev Institute of Inorganic Chemistry, Siberian Branch (Russian Federation)

    2017-03-15

    The structure of KHgI{sub 3} · H{sub 2}O is assigned to the family of crystal structures having the three-layer cubic packing of iodine anions with cations in the tetrahedral voids (the structures of α-HgI{sub 2}, β-Ag{sub 2}HgI{sub 4}, and β-Cu{sub 2}HgI{sub 4} among them). Crystallographic analysis shows that the nodes of the three-layer close packing are populated by iodine anions and K cations in the ratio 3/4: 1/4. Transformation of the structure of α-HgI{sub 2} into the structure of KHgI{sub 3} · H{sub 2}O can be formally represented as the replacement of (HgI){sub n}{sup +} fragments by (KH{sub 2}O){sub n}{sup +} fragments: (Hg{sub 2}I{sub 4})–(HgI){sup +} + (KH{sub 2}O){sub n}{sup +} = KHgI{sub 3} · H{sub 2}O. Perforated layers of vertex-sharing HgI{sub 4} tetrahedra break down into parallel isolated chains. Channels formed in place of I–Hg–I–Hg–fragments are occupied by–H{sub 2}O–K–-H{sub 2}-O-K-H{sub 2}O-chains weakly bound to neighbors.

  5. 2D-2D stacking of graphene-like g-C{sub 3}N{sub 4}/Ultrathin Bi{sub 4}O{sub 5}Br{sub 2} with matched energy band structure towards antibiotic removal

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Mengxia; Di, Jun; Ge, Yuping; Xia, Jiexiang, E-mail: xjx@ujs.edu.cn; Li, Huaming, E-mail: lhm@ujs.edu.cn

    2017-08-15

    Highlights: • 2D-2D graphene-like g-C{sub 3}N{sub 4}/ultrathin Bi{sub 4}O{sub 5}Br{sub 2} materials have been prepared. • With matched energy band structure, the effective charge separation can be achieved. • The holes and O{sub 2}{sup −} are determined to be the main active species. - Abstract: A novel visible-light-driven 2D-2D graphene-like g-C{sub 3}N{sub 4}/ultrathin Bi{sub 4}O{sub 5}Br{sub 2} photocatalyst was prepared via a facile solvothermal method in the presence of reactable ionic liquid 1-hexadecyl-3-methylimidazolium bromide ([C{sub 16}mim]Br) for the first time. FT-IR, XPS and TEM analysis results demonstrated the successful introduction of the 2D graphene-like g-C{sub 3}N{sub 4} material to the Bi{sub 4}O{sub 5}Br{sub 2} system. DRS and BET analysis results indicated the existence of the g-C{sub 3}N{sub 4} could lead to the broaden absorption edge and larger surface area of the ultrathin Bi{sub 4}O{sub 5}Br{sub 2} nanosheets. The electrochemical analysis implied a fast transfer of the interfacial electrons and low recombination rate of photogenerated charge carriers in g-C{sub 3}N{sub 4}/Bi{sub 4}O{sub 5}Br{sub 2}, which could be assigned to the sufficient and tight contact between ultrathin Bi{sub 4}O{sub 5}Br{sub 2} and graphene-like g-C{sub 3}N{sub 4}. The quinolone antibiotic ciprofloxacin (CIP) was chosen as the target pollutant to evaluate the photocatalytic performance of the as-prepared samples under visible light irradiation. 1 wt% g-C{sub 3}N{sub 4}/Bi{sub 4}O{sub 5}Br{sub 2} composite exhibited the highest photocatalytic degradation performance among all of the as-prepared photocatalysts. The enhancement of photocatalytic activity was attributed to the maximum contact between graphene-like g-C{sub 3}N{sub 4} and ultrathin Bi{sub 4}O{sub 5}Br{sub 2} material with matched energy band structure, which enable the efficient charge seperation. A possible photocatalytic mechanism also was proposed.

  6. 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, C<sub>23sub>H>18sub>Cl>2sub>N>4sub>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, C<sub>23sub>H>18sub>Cl>2sub>N>4sub>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.

  7. Experimental determination and modeling of the solubility phase diagram of the ternary system (Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O) at 288.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shiqiang, E-mail: wangshiqiang@tust.edu.cn [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China); Guo, Yafei [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China); Li, Dongchan [Engineering Research Center of Seawater Utilization Technology of Ministry of Education, Hebei University of Technology, Tianjin 300130 (China); Tang, Peng; Deng, Tianlong [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China)

    2015-02-10

    Highlights: • Solubility of the ternary system Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O at 288.15 K has been measured. • Phase diagram of this system was simulated and calculated by a thermodynamic model. • Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4} belongs to the incongruent double salt in this system. • Solution density was calculated using empirical equation. - Abstract: The solubility and density in the thermodynamic phase equilibria ternary system (Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O) at 288.15 K and 0.1 MPa were investigated experimentally with the method of isothermal dissolution equilibrium. This system at 288.15 K consists of two invariant points, three univariant isothermal dissolution curves; and three crystallization regions. The salt Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4} belongs to the incongruent double salt, and no solid solution was found. Based on the Pitzer model and its extended Harvie–Weare (HW) model, the mixing ion-interaction parameters of θ{sub Li,K}, ψ{sub Li,K,SO4} at 288.15 K and the solubility equilibrium constants K{sub sp} of solid phases Li{sub 2}SO{sub 4}·H{sub 2}O and Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4}, which are not reported in the literature were acquired. A comparison between the calculated and experimental results at 288.15 K for the ternary system shows that the calculated solubilities obtained with the extended HW model agree well with experimental data.

  8. Magnetostructural Phase Diagram of Multiferroic (ND<sub>4sub>)>2sub>FeCl>5sub>.H>2sub>O

    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 MnWO<sub>4sub>, TbMnO<sub>3sub>, and Ni<sub>3sub>TeO>6sub> 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 A<sub>2sub>FeX>5sub>.H>2sub>O erythrosiderites (A = K, Rb, NH<sub>4sub>; B = Fe, Mn, Co; X = Cl, Br, H<sub>2sub>O) drew our attention due to the rich chemical tuning possibilities, complex phase diagrams, and topological similarities to oxide multiferroics.1 (NH<sub>4sub>)>2sub>FeCl>5sub>.H>2sub>O is the flagship example (Fig. 1(a)). It displays a high temperature order-disorder transition involving long-range hydrogen bonding of the NH<sub>4sub>+ 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/m<sub>2sub> 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.

  9. Structural features of layered iron pnictide oxides (Fe{sub 2}As{sub 2})(Sr{sub 4}M{sub 2}O{sub 6})

    Energy Technology Data Exchange (ETDEWEB)

    Ogino, H., E-mail: tuogino@mail.ecc.u-tokyo.ac.j [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Sato, S.; Matsumura, Y.; Kawaguchi, N.; Ushiyama, K. [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Katsura, Y. [Magnetic Materials Laboratory, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Horii, S. [JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Kochi University of Technology, Kami, Kochi 782-8502 (Japan); Kishio, K.; Shimoyama, J. [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); JST-TRIP, Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan)

    2010-12-15

    Structural features of newly found perovskite-based iron pnictide oxide system have been studied. Compared to REFePnO system, perovskite-based system tend to have smaller Pn-Fe-Pn angle and higher pnictogen height owing to low electronegativity of alkaline earth metal and small repulsive force between pnictogen and oxigen atoms. As-Fe-As angles of (Fe{sub 2}As{sub 2})(Sr{sub 4}Cr{sub 2}O{sub 6}), (Fe{sub 2}As{sub 2})(Sr{sub 4}V{sub 2}O{sub 6}) and (Fe{sub 2}Pn{sub 2})(Sr{sub 4}MgTiO{sub 6}) are close to ideal tetrahedron and those pnictogen heights of about 1.40 A are close to NdFeAsO with optimized carrier concentration. These structural features of this system may lead to realization of high-T{sub c} superconductivity in this system.

  10. Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH{sub 4}/H{sub 2} and CO{sub 2}/CH{sub 4} Mixtures in ZIFs

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jinchen; Keskin, Seda; Sholl, David S; Johnson, J. Karl

    2011-05-01

    Adsorption and diffusion of CO{sub 2}/CH{sub 4} and CH{sub 4}/H{sub 2} mixtures were computed in zeolite imidazolate frameworks (ZIFs), ZIF-68 and ZIF-70, using atomically detailed simulations. Adsorption selectivity, diffusion selectivity, and membrane selectivity of ZIFs were calculated based on the results of atomistic simulations. Mixture adsorption isotherms predicted by the ideal adsorbed solution theory agree well with the results of molecular simulations for both ZIFs. Mixture diffusivity calculations indicate that diffusion of CH{sub 4} is increased with increasing concentration of H{sub 2} in the CH{sub 4}/H{sub 2} mixture, while the diffusivity of H{sub 2} decreases with increasing CH{sub 4} concentration. In contrast, the diffusivity of CH{sub 4} is essentially independent of the concentration of CO{sub 2} in the CO{sub 2}/CH{sub 4} mixture, while CO{sub 2} diffusivity decreases with increased CH{sub 4} loading, even though the diffusivity of CH{sub 4} is substantially larger than that of CO{sub 2}. This unusual behavior can be explained in terms of differences in adsorption site preferences due to charge–quadrupole interactions.

  11. Electrochemistry and spectroelectrochemistry of tert-butylcalix[4]arene bridged bis double-decker lutetium(III) phthalocyanine, Lu{sub 2}Pc{sub 4} and dimeric lutetium(III) phthalocyanine, Lu{sub 2}Pc{sub 2}(OAc){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Koca, Atif [Chemical Engineering Department, Engineering Faculty, Marmara University, TR34722 Goeztepe, Istanbul (Turkey); Ceyhan, Tanju; Erbil, Mehmet K. [Department of Biochemistry, Division of Organic Chemistry, Guelhane Medical Academy (GATA), Ankara (Turkey); Ozkaya, Ali Riza [Department of Chemistry, Marmara University, TR34722 Goeztepe, Istanbul (Turkey)], E-mail: aliozkaya@marmara.edu.tr; Bekaroglu, Ozer [Department of Chemistry, Technical University of Istanbul, TR34469 Maslak, Istanbul (Turkey)], E-mail: obek@itu.edu.tr

    2007-11-09

    In this study, electrochemical, electrochromic and spectroelectrochemical properties of a tert-butylcalix[4]arene bridged bis double-decker lutetium(III) phthalocyanine (Lu{sub 2}Pc{sub 4}2) were investigated explicitly as compared with a tert-butylcalix[4]arene bridged dimeric lutetium(III) phthalocyanine [Lu{sub 2}Pc{sub 2}(OAc){sub 2}1]. Distinctive differences between electrochemical and electrochromic properties of 1 and 2 were detected. Moreover, the properties of 1 and 2 were compared with previously reported S{sub 4}(CH{sub 2}){sub 4} bridged Lu{sub 2}Pc{sub 2}(OAc){sub 2} and Lu{sub 2}Pc{sub 4}. The calixarene bridged phthalocyanine (Pc) compounds, 1 and 2 showed well-defined electrochromic behaviour with green-blue and blue-purple colour transitions. The enhanced electrochromic properties of 2, as compared to 1, were attributed to its double-decker structure, probably allowing the formation of suitable ion channels for the counter ion movement in the solid film.

  12. Facile sonochemical synthesis and morphology control of CePO{sub 4} nanostructures via an oriented attachment mechanism: Application as luminescent probe for selective sensing of Pb{sup 2+} ion in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shiralizadeh Dezfuli, Amin [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Ganjali, Mohammad Reza, E-mail: ganjali@khayam.ut.ac.ir [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Biosensor Research Center, Endocrinology and Metabolism Molecular–Cellular Sciences Institute, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Norouzi, Parviz [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Biosensor Research Center, Endocrinology and Metabolism Molecular–Cellular Sciences Institute, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of)

    2014-09-01

    CePO{sub 4} nanostructures with hexagonal phase were controllably synthesized using Ce(NO{sub 3}){sub 3} reaction with NH{sub 4}H{sub 2}PO{sub 4} through a sonochemical method by simply varying the reaction conditions. By adding ethanol and polyethylene glycol (PEG), coral-reef nanostructures (CRNs) were synthesized and controlling over pH caused to nanorods/nanowires. Oriented attachment (OA) is proposed as dominant mechanism on the growth of nanostructures which is in competition with Ostwald ripening (OR). The crystal structure and morphology of the nanostructures were characterized by X-ray diffraction (XRD) and field-emission scanning electron microscopy (FE-SEM), respectively. The luminescent properties of CePO{sub 4} with different morphologies have been studied. Among the nanostructures, nanoparticles with the highest intensity of fluorescent have been used as luminescent probe for selective sensing of Pb{sup 2+} ion in aqueous solution. - Highlights: • Facile sonochemical method has been used for synthesis of CePO{sub 4} nanostructures. • Coral-reef as a new morphology of nanostructures is introduced. • CePO{sub 4} NPs have been used as luminescent probe for selective sensing of Pb{sup 2+} ion.

  13. Probing the limit of magnesium uptake by β-tricalcium phosphate in biphasic mixtures formed from calcium deficient apatites

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, P. Nandha; Mishra, Sandeep K.; Kannan, S., E-mail: para_kanna@yahoo.com

    2015-11-15

    A series of magnesium doped non-stoichiometric calcium deficient apatites were synthesized through an aqueous precipitation route. The resultant structural changes during heat treatment were investigated by X-ray diffraction, Raman and FT-IR spectroscopy and Rietveld refinement. The results confirmed the formation of biphasic mixtures comprising Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2} and β-Ca{sub 3}(PO{sub 4}){sub 2} after heat treatment at 1000 °C with the preferential occupancy of Mg{sup 2+} at the crystal lattice of β-Ca{sub 3}(PO{sub 4}){sub 2}. The concentration of Mg{sup 2+} uptake in β-Ca{sub 3}(PO{sub 4}){sub 2} is limited till reaching the stoichiometric ratio of (Ca+Mg)/P=1.67 and beyond this stoichiometric value [(Ca+Mg)/P>1.67], Mg{sup 2+} precipitates as Mg(OH){sub 2} and thereafter gets converted to MgO during heat treatment. Any kind of Mg{sup 2+} uptake in the crystal lattice of Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2} is discarded from the investigation. - Highlights: • Aqueous co-precipitation of calcium deficient apatites with excess magnesium (Mg{sup 2+}) additions. • Heat treatments beyond 800 °C results in the formation of biphasic apatite mixtures. • Mg{sup 2+} gets accommodated at the β-Ca{sub 3}(PO{sub 4}){sub 2} lattice of biphasic mixtures. • Mg{sup 2+} additions exceeding stoichiometric value (Ca/P>1.67) results in its formation as MgO. • Mg{sup 2+} occupancy at β-Ca{sub 3}(PO{sub 4}){sub 2} lattice delays its allotropic conversion α-Ca{sub 3}(PO{sub 4}){sub 2} till 1350 °C.

  14. Structural characterization of two new quaternary chalcogenides: CuCo{sub 2}InTe{sub 4} and CuNi{sub 2}InTe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Delgado, Gerzon E.; Grima-Gallardo, Pedro; Nieves, Luis, E-mail: gerzon@ula.ve [Universidad de Los Andes, Merida (Venezuela, Bolivarian Republic of); Cabrera, Humberto [Centro Multidisciplinario de Ciencias, Instituto Venezolano de Investigaciones Cientificas (IVIC), Merida (Venezuela, Bolivarian Republic of); Glenn, Jennifer R.; Aitken, Jennifer A. [Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA (United States)

    2016-11-15

    The crystal structure of the chalcogenide compounds CuCo{sub 2}InTe{sub 4} and CuNi{sub 2}InTe{sub 4} , two new members of the I-II{sub 2}-III-VI{sub 4} family, were characterized by Rietveld refinement using X-ray powder diffraction data. Both materials crystallize in the tetragonal space group I4-bar 2m (No. 121), Z = 2, with a stannite-type structure, with the binaries CoTe and NiTe as secondary phases. (author)

  15. Description and crystal structure of albrechtschraufite, MgCa{sub 4}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]{sub 2}.17-18H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Mereiter, K. [Vienna Univ. of Technology (Austria). Inst. of Chemical Technologies and Analytics

    2013-04-15

    Albrechtschraufite, MgCa{sub 4}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]{sub 2}.17-18H{sub 2}O, triclinic, space group P anti 1, a = 13.569(2), b = 13.419(2), c = 11.622(2) Aa, α = 115.82(1), β = 107.61(1), γ = 92.84(1) (structural unit cell, not reduced), V = 1774.6(5) Aa{sup 3}, Z = 2, Dc = 2.69 g/cm{sup 3} (for 17.5 H{sub 2}O), is a mineral that was found in small amounts with schroeckingerite, NaCa{sub 3}F[UO{sub 2}(CO{sub 3}){sub 3}](SO{sub 4}).10H{sub 2}O, on a museum specimen of uranium ore from Joachimsthal (Jachymov), Czech Republic. The mineral forms small grain-like subhedral crystals (= 0.2 mm) that resemble in appearance liebigite, Ca{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]. ∝ 11H{sub 2}O. Colour pale yellow-green, luster vitreous, transparent, pale bluish green fluorescence under ultraviolet light. Optical data: Biaxial negative, nX = 1.511(2), nY = 1.550(2), nZ = 1.566(2), 2V = 65(1) (λ = 589 nm), r < v weak. After qualitative tests had shown the presence of Ca, U, Mg, CO{sub 2} and H{sub 2}O, the chemical formula was determined by a crystal structure analysis based on X-ray four-circle diffractometer data. The structure was later on refined with data from a CCD diffractometer to R1 = 0.0206 and wR2 = 0.0429 for 9,236 independent observed reflections. The crystal structure contains two independent [UO{sub 2}(CO{sub 3}){sub 3}]{sup 4-} anions of which one is bonded to two Mg and six Ca while the second is bonded to only one Mg and three Ca. Magnesium forms a MgF{sub 2}(O{sub carbonate}){sub 3}(H{sub 2}O) octahedron that is linked via the F atoms with three Ca atoms so as to provide each F atom with a flat pyramidal coordination by one Mg and two Ca. Calcium is 7- and 8-coordinate forming CaFO{sub 6}, CaF{sub 2}O{sub 2}(H{sub 2}O){sub 4}, CaFO{sub 3}(H{sub 2}O){sub 4} and CaO{sub 2}(H{sub 2}O){sub 6} coordination polyhedra. The crystal structure is built up from MgCa{sub 3}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}].8H{sub 2}O layers parallel to (001) which

  16. Absolute number density and kinetic analysis of CF, CF{sub 2} and C{sub 2}F{sub 4} molecules in pulsed CF{sub 4}/H{sub 2} rf plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Stepanov, Sergey

    2010-04-26

    Tunable Diode Laser Absorption Spectroscopy in the mid InfraRed spectral range (IR-TDLAS) has been applied to investigate the behaviour of CF, CF{sub 2} and C{sub 2}F{sub 4} species produced in pulsed CF{sub 4}/H{sub 2} capacitively coupled radio frequency plasmas (13.56 MHz CCP). This experimental technique was shown to be suitable for temporally resolved measurements of the absolute number density of the target molecules in the studied fluorocarbon discharges. The temporal resolution of about 20..40 ms typically achieved in the standard data acquisition mode (''stream mode'') was sufficient for the real-time measurements of CF{sub 2} and C{sub 2}F{sub 4}, but not of CF whose kinetics was observed to be much faster. Therefore, a more sophisticated approach (''burst mode'') providing a temporal resolution of 0.94 ms was established and successfully applied to CF density measurements. In order to enable the TDLAS measurements of the target species, preliminary investigations on their spectroscopic data had been carried out. In particular, pure C{sub 2}F{sub 4} has been produced in laboratory by means of vacuum thermal decomposition (pyrolysis) of polytetrafluoroethylene and used as a reference gas. Therefore, an absorption structure consisting of several overlapping C{sub 2}F{sub 4} lines around 1337.11 cm{sup -1} was selected and carefully calibrated, which provided the first absolute measurements of the species by means of the applied experimental technique. The absolute number density traces measured for CF, CF{sub 2} and C{sub 2}F{sub 4} in the studied pulsed plasmas were then analysed, in which two differential balance equations were proposed for each of the species to describe their behaviour during both ''plasma on'' and ''plasma off'' phases. Analytical solutions of the balance equations were used to fit the experimental data and hence to deduce important information on the

  17. Absolute number density and kinetic analysis of CF, CF{sub 2} and C{sub 2}F{sub 4} molecules in pulsed CF{sub 4}/H{sub 2} rf plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Stepanov, Sergey

    2010-04-26

    Tunable Diode Laser Absorption Spectroscopy in the mid InfraRed spectral range (IR-TDLAS) has been applied to investigate the behaviour of CF, CF{sub 2} and C{sub 2}F{sub 4} species produced in pulsed CF{sub 4}/H{sub 2} capacitively coupled radio frequency plasmas (13.56 MHz CCP). This experimental technique was shown to be suitable for temporally resolved measurements of the absolute number density of the target molecules in the studied fluorocarbon discharges. The temporal resolution of about 20..40 ms typically achieved in the standard data acquisition mode (''stream mode'') was sufficient for the real-time measurements of CF{sub 2} and C{sub 2}F{sub 4}, but not of CF whose kinetics was observed to be much faster. Therefore, a more sophisticated approach (''burst mode'') providing a temporal resolution of 0.94 ms was established and successfully applied to CF density measurements. In order to enable the TDLAS measurements of the target species, preliminary investigations on their spectroscopic data had been carried out. In particular, pure C{sub 2}F{sub 4} has been produced in laboratory by means of vacuum thermal decomposition (pyrolysis) of polytetrafluoroethylene and used as a reference gas. Therefore, an absorption structure consisting of several overlapping C{sub 2}F{sub 4} lines around 1337.11 cm{sup -1} was selected and carefully calibrated, which provided the first absolute measurements of the species by means of the applied experimental technique. The absolute number density traces measured for CF, CF{sub 2} and C{sub 2}F{sub 4} in the studied pulsed plasmas were then analysed, in which two differential balance equations were proposed for each of the species to describe their behaviour during both ''plasma on'' and ''plasma off'' phases. Analytical solutions of the balance equations were used to fit the experimental data and hence to deduce important information on the kinetics of the studied molecules. In particular, during the ''plasma off'' phase

  18. Crystallization behavior of (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Moo-Chin [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Cheng, Chih-Wei; Chang, Kuo-Ming [Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Hsi, Chi-Shiung, E-mail: chsi@nuu.edu.t [Department of Materials Science and Engineering, National United University, 1 Lien-Da, Kung-Ching Li, Miao-Li 36003, Taiwan (China)

    2010-07-02

    The crystallization behavior of the (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses has been investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron diffraction (ED) and energy dispersive spectroscopy (EDS). The crystalline phase was composed of {beta}-spodumene. The isothermal crystallization kinetics of {beta}-spodumene from the (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses has also been studied by a quantitative X-ray diffraction method. The activation energy of {beta}-spodumene formation decreases from 359.2 to 317.8 kJ/mol when the Na{sub 2}O content increases from 0 to 0.4 mol and it increases from 317.8 to 376.9 kJ/mol when the Na{sub 2}O content increases from 0.4 to 0.6 mol. The surface nucleation and plate-like growth were dominant in the crystallization of the (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses.

  19. Synthesis, single-crystal structure determination and Raman spectrum of Ca{sub 2.57(4)}Sr{sub 0.43(4)}Cl{sub 2}[CBN

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Dept. of Chemistry and Chemical Biology; Schulz, Armin [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2017-05-01

    Solid-state reaction of Ca, CaCl{sub 2}, Sr, SrCl{sub 2}, C and BN at 900 C for 3 days yielded transparent red needles of Ca{sub 2.57(4)}Sr{sub 0.43(4)}Cl{sub 2}[CBN] as minority product (<10%) mixed with crystals of isotypic yellow Ca{sub 3}Cl{sub 2}[CBN] and orange Sr{sub 3}Cl{sub 2}[CBN]. Ca{sub 2.57(4)}Sr{sub 0.43(4)}Cl{sub 2}[CBN] crystallizes in the space group Pnma (no.62) with the unit cell parameters of a=1389.2(6), b=386.05(15) and c=1131.2(4)pm (Z=4). The Raman spectrum confirms the presence of the [CBN]{sup 4-} unit. The incremental volume of the [CBN]{sup 4-} is calculated to be 50.7(10) Aa{sup 3}.

  20. 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)

  1. 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.

  2. Surface exchange kinetics and chemical diffusivities of BaZr{sub 0.2}Ce{sub 0.65}Y{sub 0.15}O{sub 3−δ} by electrical conductivity relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Dae-Kwang; Jeon, Sang-Yun; Singh, Bhupendra [Ionics Lab, School of Materials Science and Engineering, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwang-Ju 500-757 (Korea, Republic of); Park, Jun-Young [Department of Advanced Materials Engineering, Sejong University, Seoul 143-747 (Korea, Republic of); Song, Sun-Ju, E-mail: song@chonnam.ac.kr [Ionics Lab, School of Materials Science and Engineering, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwang-Ju 500-757 (Korea, Republic of)

    2014-10-15

    Highlights: • Electrical conductivity relaxation in BaCe{sub 0.65}Zr{sub 0.2}Y{sub 0.15}O{sub 3−δ} was monitored. • Monotonic relaxation behavior was observed during oxidation/reduction. • Nonmonotonic twofold relaxation behavior was observed during hydration/dehydration. • Surface exchange coefficients and diffusivities of O and H were calculated. - Abstract: Perovskite-type oxide BaCe{sub 0.65}Zr{sub 0.2}Y{sub 0.15}O{sub 3−δ} (BCZY2015) was synthesized by a solid state reaction method. BCZY2015 samples were characterized by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The time dependent variation in electrical conductivity of BCZY2015 was monitored during the oxidation/reduction in oxygen partial pressure (pO{sub 2}) range of −2.28 ⩽ log (pO{sub 2}/atm) ⩽ −0.68 at a fixed water vapor pressure (pH{sub 2}O), and during the hydration/dehydration in −3.15 ⩽ log (pH{sub 2}O/atm) ⩽ −2.35 range in air. The electrical conductivity showed a monotonic relaxation behavior by the ambipolar diffusion of V{sub o}{sup ··} and OH{sub o}{sup ·} during the oxidation/reduction and the relaxation process was governed by the diffusivity of oxygen (D-tilde{sub vO}). On the other hand, during the hydration/dehydration process, a non-monotonic twofold relaxation behavior was observed due to the decoupled diffusion of H and O components with the mediation of holes, and the conductivity relaxation process was governed by the diffusivities of both H (D-tilde{sub iH}) and O (D-tlde{sub vH}). The values of surface exchange coefficients and diffusivities of oxygen and hydrogen were calculated from Fick’s second law by the nonlinear least squares fitting of the conductivity data, as proposed by Yoo et al. (2008)

  3. Ammonothermal synthesis and characterization of Cs{sub 2}[Zn(NH{sub 2}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Richter, Theresia M.M.; Niewa, Rainer [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569, Stuttgart (Germany); Alt, Nicolas S.A.; Schluecker, Eberhard [Lehrstuhl fuer Prozessmaschinen und Anlagentechnik, Friedrich-Alexander-Universitaet Erlangen-Nuernberg, Cauerstrasse 4, 91058, Erlangen (Germany)

    2016-10-15

    Cs{sub 2}[Zn(NH{sub 2}){sub 4}] was synthesized under ammonothermal conditions (sc-NH{sub 3}, 523 K, 155 MPa) from CsNH{sub 2} and Zn. Growth of cm-sized crystals succeeded upon application of a temperature gradient. The crystal structure is based on the motif of a hexagonal closed packing of [Zn(NH{sub 2}){sub 4}]{sup 2-} ions with occurrence of no significant hydrogen bridges according to distances and vibrational spectroscopy. Cs{sup +} ions are located within octahedral and tetrahedral holes of the packing. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Exchange coupling behavior in bimagnetic CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Leite, G.C.P. [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Chagas, E.F., E-mail: efchagas@fisica.ufmt.br [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Pereira, R.; Prado, R.J. [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Terezo, A.J. [Departamento de Quimica, Universidade Federal do Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Alzamora, M.; Baggio-Saitovitch, E. [Centro Brasileiro de Pesquisas Fisicas, Rua Xavier Sigaud 150 Urca, Rio de Janeiro (Brazil)

    2012-09-15

    In this work we report a study of the magnetic behavior of ferrimagnetic oxide CoFe{sub 2}O{sub 4} and ferrimagnetic oxide/ferromagnetic metal CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite. The latter compound is a good system to study hard ferrimagnet/soft ferromagnet exchange coupled. Two steps were followed to synthesize the bimagnetic CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite: (i) first, preparation of CoFe{sub 2}O{sub 4} nanoparticles using a simple hydrothermal method, and (ii) second, reduction reaction of cobalt ferrite nanoparticles using activated charcoal in inert atmosphere and high temperature. The phase structures, particle sizes, morphology, and magnetic properties of CoFe{sub 2}O{sub 4} nanoparticles were investigated by X-Ray diffraction (XRD), Mossbauer spectroscopy (MS), transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM) with applied field up to 3.0 kOe at room temperature and 50 K. The mean diameter of CoFe{sub 2}O{sub 4} particles is about 16 nm. Mossbauer spectra revealed two sites for Fe{sup 3+}. One site is related to Fe in an octahedral coordination and the other one to the Fe{sup 3+} in a tetrahedral coordination, as expected for a spinel crystal structure of CoFe{sub 2}O{sub 4}. TEM measurements of nanocomposite showed the formation of a thin shell of CoFe{sub 2} on the cobalt ferrite and indicate that the nanoparticles increase to about 100 nm. The magnetization of the nanocomposite showed a hysteresis loop that is characteristic of exchange coupled systems. A maximum energy product (BH){sub max} of 1.22 MGOe was achieved at room temperature for CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposites, which is about 115% higher than the value obtained for CoFe{sub 2}O{sub 4} precursor. The exchange coupling interaction and the enhancement of product (BH){sub max} in nanocomposite CoFe{sub 2}O{sub 4}/CoFe{sub 2} are discussed. - Highlights: Black-Right-Pointing-Pointer CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite

  5. Elastic properties of Cs{sub 2}HgBr{sub 4} and Cs{sub 2}CdBr{sub 4} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kityk, A.V.; Zadorozhna, A.V.; Shchur, Y.I.; Martynyuk-Lototska, Y.I.; Burak, Y.; Vlokh, O.G. [Institute of Physical Optics, Lvov (Ukraine)

    1998-12-31

    Using ultrasonic velocity measurements, all components of the elastic constant matrix C{sub ij} , elastic compliances matrix S{sub ij}, and linear compressibility constants matrix K{sub ij} of orthorhombic Cs{sub 2}HgBr{sub 4} and Cs{sub 2}CdBr{sub 4} crystals have been determined over a wide temperature range, including the region of the phase transition from the normal to the incommensurate phase. Results obtained are considered within the framework of the phenomenological theory. Preliminary analysis of the acoustical properties at room temperature clearly indicates that both crystals are relatively important materials for acousto-optical applications. Copyright (1998) CSIRO Australia 16 refs., 1 tab. 8 figs. The URL for the electronic version of this article is http://www.publish.csiro.au/journals/ajp/electronic.html

  6. Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Yu; Pei, Yanling; Chang, Cheng; Zhang, Xiao [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Tan, Xing [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Ye, Xinxin [Department of Physics, South University of Science and Technology of China, Shenzhen 518055 (China); Gong, Shengkai [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Lin, Yuanhua [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); He, Jiaqing [Department of Physics, South University of Science and Technology of China, Shenzhen 518055 (China); Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2016-07-15

    Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from ~1.8 W m{sup −1} K{sup −1} to ~0.9 W m{sup −1} K{sup −1}, and the electrical conductivity decreases from ~850 S/cm to ~163 S/cm in the measured temperature range. To investigate how potential of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to ~+80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of ~0.7 W m{sup −1} K{sup −1} could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70–72 GPa, and Grüneisen parameters of 1.55–1.71. The low thermal conductivity makes Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system to be a potential thermoelectric material, the ZT value ~0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc. - Highlights: • The total thermal conductivity decreases from 1.8 to 0.9 Wm{sup –1}K{sup –1} at 300–873K. • The electrical conductivity decreased from 850 to 163 S/cm at 300–873K. • The Seebeck coefficients were enhanced through heavily Iodine doping. • The ZT ~0.06 at 873K suggests that Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} systems are potential thermoelectrical materials.

  7. High-efficiency Thin-film Fe<sub>2sub>SiS>4sub> and Fe<sub>2sub>GeS>4sub>-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 Fe<sub>2sub>SiS>4sub> and Fe<sub>2sub>GeS>4sub> 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%) Fe<sub>2sub>SiS>4sub> and Fe<sub>2sub>GeS>4sub>-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 Fe<sub>2sub>GeS>4sub> with high purity and in large quantities. The project did not meet the efficiency objective, however, a functional solar device was demonstrated.

  8. New insights into thorium and uranium oxo-arsenic (III/V) and oxo-phosphates (V) crystal chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Na

    2015-12-11

    -phosphate(V) phases that were derived from the before mentioned methods. They can be separated into several main parts according to the structural features: layers in U(VI) phases (chapter 3); cations driving structural diversity of thorium arsenates and phosphates (chapter 4 and 5); uranium metaphosphate with (PO{sub 3}){sub n}{sup n-} polymeric chains (chapter 6); mixed-valent arsenic(III/V) Th compounds obtained under extreme pressure (chapter 7); series of compounds adopting the typical structure type of KTh{sub 2}(AsO{sub 4}){sub 3} and presented by ATh{sub 2}(AsO{sub 4}){sub 3}(A= K, Rb, Cs, Ag), LiTh{sub 2}(PO{sub 4}){sub 3} and BU{sup IV}{sub 2}(PO{sub 4}){sub 3} (B= Rb, Cs); tri-phosphate and tri-arsenate T{sub 3}O{sub 10} units in the ATh(T{sub 3}O{sub 10}) (A= Rb, Cs; T= P, As) family (chapter 7).

  9. The oxonitridoborate Eu{sub 5}(BO{sub 2.51(7)}N{sub 0.49(7)}){sub 4} and the mixed-valent borates Sr{sub 3}Ln{sub 2}(BO{sub 3}){sub 4} (Ln = Ho, Er)

    Energy Technology Data Exchange (ETDEWEB)

    Hoeppe, Henning A.; Kazmierczak, Karolina; Grumbt, Christine; Schindler, Lisa [Institut fuer Physik, Universitaet Augsburg (Germany); Schellenberg, Inga; Poettgen, Rainer [Westfaelische Wilhelms-Universitaet Muenster, Institut fuer Anorganische und Analytische Chemie (Germany)

    2013-11-04

    The crystal structures of the mixed borates Sr{sub 3}Er{sub 2}(BO{sub 3}){sub 4} [Pnma, no. 62, Z = 4, a = 738.08(2), b = 1588.94(4), c = 867.81(2) pm, 683 reflections, 70 parameters, R1 = 0.037, wR2 = 0.077] and Sr{sub 3}Ho{sub 2}(BO{sub 3}){sub 4} [Pnma, no. 62, Z = 4, a = 738.45(7), b = 1591.55(12), c = 871.03(9) pm, 691 reflections, 59 parameters, R1 = 0.069, wR2 = 0.098] and europium oxonitridoborate Eu{sub 5}(BO{sub 2.51(7)}N{sub 0.49(7)}){sub 4} [Pnma, no. 62, Z = 12, a = 2232.2(5), b = 1603.1(3), c = 879.59(18) pm, 2880 reflections, 313 parameters, R1 = 0.027, wR2 = 0.059] were solved from single-crystal X-ray diffraction data. Eu{sub 5}(BO{sub 2.51(7)}N{sub 0.49(7)}){sub 4} adopts a threefold superstructure of the structure of Sr{sub 3}Ln{sub 2}(BO{sub 3}){sub 4} (Ln = Ho, Er). In both structure types, the different cations are situated on common sites with a pronounced preferential occupation but no complete ordering. These conclusions are based on the crystal structure refinement, {sup 151}Eu Moessbauer spectroscopy and MAPLE (Madelung part of lattice energy) calculations. The proposed Eu{sub 5}(BO{sub 3}){sub 4} contains nitrogen and has a formula Eu{sub 5}(BO{sub 2.51(7)}N{sub 0.49(7)}){sub 4} as confirmed by {sup 151}Eu Moessbauer spectroscopy. The optical reflectance spectrum of Eu{sub 5}(BO{sub 2.51(7)}N{sub 0.49(7)}){sub 4} is in accordance with the yellow colour of the compound. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Syntheses, crystal structures, NMR spectroscopy, and vibrational spectroscopy of Sr(PO{sub 3}F).H{sub 2}O and Sr(PO{sub 3}F)

    Energy Technology Data Exchange (ETDEWEB)

    Jantz, Stephan G.; Hoeppe, Henning A. [Lehrstuhl fuer Festkoerperchemie, Institut fuer Physik, Universitaet Augsburg (Germany); Wuellen, Leo van; Fischer, Andreas [Lehrstuhl fuer Chemische Physik und Materialwissenschaften, Institut fuer Physik, Universitaet Augsburg (Germany); Libowitzky, Eugen [Institute for Mineralogy and Crystallography, Faculty of Geosciences, Geography and Astronomy, University of Vienna (Austria); Baran, Enrique J. [Centro de Quimica Inorganica (CEQUINOR/CONICET, UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina); Weil, Matthias [Institute for Chemical Technologies and Analytics, Division Structural Chemistry, Vienna University of Technology (Austria)

    2016-03-15

    Single crystals of Sr(PO{sub 3}F).H{sub 2}O {P2_1/c, Z = 4, a = 7.4844(2) Aa, b = 7.0793(2) Aa, c = 8.4265(2) Aa, β = 108.696(1) , V = 422.91(2) Aa"3, 2391 F_o"2, 70 parameters, R_1[F"2 > 2σ(F"2)] = 0.036; wR_2(F"2 all) = 0.049, S = 1.054} were grown from an aqueous solution by a metathesis reaction. The structure comprises [SrO{sub 8}] polyhedra and PO{sub 3}F tetrahedra that form a layered arrangement parallel to (100). The topotactic dehydration of this phase proceeds between 80 and 140 C to afford Sr(PO{sub 3}F). The monazite-type crystal structure of Sr(PO{sub 3}F) was elucidated from the X-ray powder data by simulated annealing [P2{sub 1}/c, Z = 4, a = 6.71689(9) Aa, b = 7.11774(11) Aa, c = 8.66997(13) Aa, β = 128.0063(7) , V = 326.605(8) Aa{sup 3}, R{sub p} = 0.010, R{sub wp} = 0.015, R{sub F} = 0.030]. During dehydration, the structure of Sr(PO{sub 3}F) .H{sub 2}O collapses along [100] from a layered arrangement into a framework structure, accompanied by a change of the coordination number of the Sr{sup 2+} ions from eight to nine. The magic-angle spinning (MAS) NMR and vibrational spectroscopy data of both phases are discussed. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Potentiation of the isoproterenol-induced net /sup 45/Ca uptake into the ventricular myocardium of rats by means of 9. cap alpha. -fluorocortisoleacetate, dihydrotachysterole or NaH/sub 2/PO/sub 4/. Cancelling of the potentiation by organic Ca/sup 2 +/ antagonists or K/sup +/ and Mg/sup 2 +/ ions

    Energy Technology Data Exchange (ETDEWEB)

    Hein, R

    1974-01-01

    Myocardial necroses resembling infarctions as well as disseminated myocardial necroses can be induced in rats by high doses of isoprotenerol which effects a maximum stimulation of the decomposition of energy-rich phosphate. This leads to an isoprotenerol-induced increase of the transmembranous Ca/sup + +/ influx, flooding the myocardium with Ca/sup + +/ ions. It is these Ca/sup + +/ ions which then trigger the break-down of the ATP and creatine phosphate fractions by activating the myofibrit-ATPase and impairing the mitochondrial function. It seems that physiological Ca/sup + +/ antagonists such as K/sup +/- or Mg/sup + +/-salts counteract the loss of energy-rich phosphate, thus preventing necroses. A new group of organic Ca/sup + +/ antagonists (verapamil, substance D 600, prenylamine) appears to be even more effective in this respect. Given in appropriate doses, these substances may prevent the isoprotenerol-induced Ca/sup + +/ flooding of the myocardium to a large extent, so that a break-down of the ATP and creatine phosphate fractions is avoided. On the other hand, the isoprotenerol-induced increase of the Ca/sup + +/ influx may be further potentiated by a preliminary treatment of the animals with 9..cap alpha..-fluorocortisoleacetate, dihydrotachysterole or NaH/sub 2/PO/sub 4/. This results in an extreme loss of energy-rich phosphate from the myocardium with excessive enhancement of necrosis production. The findings suggest that - unrecognized so far - Ca/sup + +/ ions play a key role in the generation of myocardial necroses: the present assumption, according to which increased Ca/sup + +/ uptake into damaged myocardial fibres is only a result - or at the most an accompanying symptom - of necrosis can thus no longer be considered valid.

  12. MgFe{sub 2}O{sub 4}/ZrO{sub 2} composite nanoparticles for hyperthermia applications

    Energy Technology Data Exchange (ETDEWEB)

    Rashid, Amin ur [Magnetism Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan); Department of Applied Physical and Material Sciences, University of Swat, Khyber Pakhtunkhwa (Pakistan); Humayun, Asif [Magnetism Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan); Manzoor, Sadia, E-mail: sadia_manzoor@comsats.edu.pk [Magnetism Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan)

    2017-04-15

    MgFe{sub 2}O{sub 4}/ZrO{sub 2} composites containing ZrO{sub 2} in different weight percentages from 0% to 80% were prepared via the citrate gel technique as potential candidate materials for magnetic hyperthermia. The biocompatible ceramic ZrO{sub 2} was introduced to prevent MgFe{sub 2}O{sub 4} nanoparticles from aggregation and to reduce their dipolar interactions in order to enhance the specific absorption rate (SAR). Structural and magnetic properties of the samples were studied using powder X-ray diffraction (XRD), transmission electron microscopy (TEM) and a vibrating sample magnetometer (VSM). Magnetically induced heating in radio frequency (RF) magnetic fields was observed in all samples. Most significantly, the sample with only 20 wt% MgFe{sub 2}O{sub 4} has been found to have a SAR that is larger than that of pure MgFe{sub 2}O{sub 4}. This is an important finding from the point of view of biomedical applications, because ZrO{sub 2} in known to have low toxicity and a higher biocompatibility as compared to ferrites. - Highlights: • MgFe{sub 2}O{sub 4} and ZrO{sub 2} composite nanoparticles with different weight percentages of ZrO{sub 2} were prepared via the citrate gel technique. • Significant variation in magnetic properties was observed with increasing the weight % of ZrO{sub 2}. • Magnetically induced heating was observed when the composites were subjected to RF magnetic field. • Most significantly, the sample 80 wt% ZrO{sub 2} has been found to have SAR that is larger than that of pure MgFe{sub 2}O{sub 4}. • The SAR was found to have a strong dependence on magnetic dipolar interactions.

  13. Osteoblast interaction with laser cladded HA and SiO{sub 2}-HA coatings on Ti-6Al-4V

    Energy Technology Data Exchange (ETDEWEB)

    Yang Yuling [Department of Physics, Northeastern University, Shenyang 110004 (China); Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Serpersu, Kaan [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); He Wei, E-mail: whe5@utk.edu [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Department of Mechanical, Aerospace and Biomedical Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Paital, Sameer R. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Dahotre, Narendra B. [Department of Materials Science and Engineering, University of North Texas, Denton, TX 76207 (United States)

    2011-12-01

    In order to improve the bioactivity and biocompatibility of titanium endosseous implants, the morphology and composition of the surfaces were modified. Polished Ti-6Al-4V substrates were coated by a laser cladding process with different precursors: 100 wt.% HA and 25 wt.% SiO{sub 2}-HA. X-ray diffraction of the laser processed samples showed the presence of CaTiO{sub 3}, Ca{sub 3}(PO{sub 4}){sub 2}, and Ca{sub 2}SiO{sub 4} phases within the coatings. From in vitro studies, it was observed that compared to the unmodified substrate all laser cladded samples presented improved cellular interactions and bioactivity. The samples processed with 25 wt.% SiO{sub 2}-HA precursor showed a significantly higher HA precipitation after immersion in simulated body fluid than 100 wt.% HA precursor and titanium substrates. The in vitro biocompatibility of the laser cladded coatings and titanium substrate was investigated by culturing of mouse MC3T3-E1 pre-osteoblast cell line and analyzing the cell viability, cell proliferation, and cell morphology. A significantly higher cell attachment and proliferation rate were observed for both laser cladded 100 wt.% HA and 25 wt.% SiO{sub 2}-HA samples. Compared to 100 wt.% HA sample, 25 wt.% SiO{sub 2}-HA samples presented a slightly improved cellular interaction due to the addition of SiO{sub 2}. The staining of the actin filaments showed that the laser cladded samples induced a normal cytoskeleton and well-developed focal adhesion contacts. Scanning electron microscopic image of the cell cultured samples revealed better cell attachment and spreading for 25 wt.% SiO{sub 2}-HA and 100 wt.% HA coatings than titanium substrate. These results suggest that the laser cladding process improves the bioactivity and biocompatibility of titanium. The observed biological improvements are mainly due to the coating induced changes in surface chemistry and surface morphology. Highlights: {yields} Laser cladding of Ti alloys with bioceramics creates new

  14. Characterization of magnetic nano particles of CoFe{sub 2}O{sub 4} and CoZnFe{sub 2}O{sub 4} prepared by the chemical co-precipitation method; Caracterizacion de nanoparticulas magneticas de CoFe{sub 2}O{sub 4} y CoZnFe{sub 2}O{sub 4} preparadas por el metodo de coprecipitacion quimica

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, J.; Zambrano, G.; Gomez, M. E. [Universidad del Valle, Departamento de Fisica, Laboratorio de Peliculas Delgadas, Ciudad Universitaria Melendez, 25360 Cali (Colombia); Prieto, P. [Universidad del Valle, Centro de Excelencia en Nuevos Materiales, Ciudad Universitaria Melendez, 25360 Cali (Colombia); Espinoza B, F. J., E-mail: javierlo21@gmail.com [IPN, Centro de Investigacion y de Estudios Avanzados, Unidad Queretaro, Libramiento Norponiente No. 2000, Fracc. Real de Juriquilla, 76230 Queretaro (Mexico)

    2012-07-01

    Magnetic cobalt ferrite nanoparticles of CoFe{sub 2}O{sub 4} and CoZnFe{sub 2}O{sub 4} were prepared by co-precipitation technique from aqueous salt solutions of Co (II), ZnSO{sub 4} and Fe (III), in an alkaline medium. CoFe{sub 2}O{sub 4} powder samples were structurally characterized by X-ray diffraction, showing the presence of the most intense peat at 2{theta} = 413928{sup o} (Co K{alpha}1) corresponding to the (311) crystallographic orientation of the CoFe{sub 2}O{sub 4} spinel phase. The mean size of the crystalline of CoFe{sub 2}O{sub 4} and CoZnFe{sub 2}O{sub 4} nanoparticles determined from the full width at half maximum of the strongest reflection of the (311) peak by using the Scherrer approximation was calculated to be 11.4 and 7.0 ({+-} o.2) nm, respectively. Transmission electron microscopy studies permitted determining nanoparticle size of CoZnFe{sub 2}O{sub 4}. Fourier transform infrared spectroscopy was used to confirm the formation of Fe-O bonds, allowing identifying the presence of ferrite spinel structure. Magnetic properties were investigated with the aid of a vibrating sample magnetometer at room temperature Herein, the sample showed superparamagnetic behavior, determined by the hysteresis loop finally, due to the hysteresis loop of the CoZnFe{sub 2}O{sub 4} is very small, our magnetic nanoparticles can be considered as a soft magnetic material. These magnetic nanoparticles have interesting technological applications in biomedicine given their biocompatibility, in nano technology, and in ferro fluid preparation. (Author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-09-15

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

  16. Photocatalytic decomposition of N{sub 2}O over TiO{sub 2}/g-C{sub 3}N{sub 4} photocatalysts heterojunction

    Energy Technology Data Exchange (ETDEWEB)

    Kočí, K., E-mail: kamila.koci@vsb.cz [Institute of Environmental technologies, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Reli, M.; Troppová, I.; Šihor, M. [Institute of Environmental technologies, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Kupková, J. [Nanotechnology center, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Kustrowski, P. [Faculty of Chemistry, Jagiellonian University in Kraków, ul. Ingardena 3, 30-060 Kraków (Poland); Praus, P. [Institute of Environmental technologies, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Department of Chemistry, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic)

    2017-02-28

    Highlights: • TiO{sub 2}/g-C{sub 3}N{sub 4} photocatalysts with the various TiO{sub 2}/g-C{sub 3}N{sub 4} weight ratios. • N{sub 2}O photocatalytic decomposition under UVC and UVA irradiation. • Heterojunction on the TiO{sub 2}/g-C{sub 3}N{sub 4} interface play an important role. • Optimal ratio of TiO{sub 2}:g-C{sub 3}N{sub 4} was 1:2 for the highest activity at UVA irradiation. - Abstract: TiO{sub 2}/g-C{sub 3}N{sub 4} photocatalysts with the various TiO{sub 2}/g-C{sub 3}N{sub 4} weight ratios from 1:2 to 1:6 were fabricated by mechanical mixing in water suspension followed by calcination. Pure TiO{sub 2} was prepared by thermal hydrolysis and pure g-C{sub 3}N{sub 4} was prepared from commercial melamine by thermal annealing at 620 °C. All the nanocomposites were characterized by X-ray powder diffraction, UV–vis diffuse reflectance spectroscopy, Raman spectroscopy, infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, photoelectrochemical measurements and nitrogen physisorption. The prepared mixtures along with pure TiO{sub 2} and g-C{sub 3}N{sub 4} were tested for the photocatalytic decomposition of nitrous oxide under UVC (λ = 254 nm), UVA (λ = 365 nm) and Vis (λ > 400 nm) irradiation. The TiO{sub 2}/g-C{sub 3}N{sub 4} nanocomposites showed moderate improvement compared to pure g-C{sub 3}N{sub 4} but pure TiO{sub 2} proved to be a better photocatalyst under UVC irradiation. However, under UVA irradiation conditions, the photocatalytic activity of TiO{sub 2}/g-C{sub 3}N{sub 4} (1:2) nanocomposite exhibited an increase compared to pure TiO{sub 2}. Nevertheless, further increase of g-C{sub 3}N{sub 4} amount leads/led to a decrease in reactivity. These results are suggesting the nanocomposite with the optimal weight ratio of TiO{sub 2} and g-C{sub 3}N{sub 4} have shifted absorption edge energy towards longer wavelengths and decreased the recombination rate of charge carriers compared to pure g-C{sub 3}N{sub 4}. This is

  17. Synthesis and photocatalytic activity of CuY{sub y}Fe{sub 2-y}O{sub 4}-CuCo{sub 2}O{sub 4} nanocomposites for H{sub 2} evolution under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Jianhui; Yang, Haihua; Yao, Maohai; Han, Yong [Department of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, Shuyuan Load, Yueyang, Hunan 414000 (China); College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan 410083 (China); Tang, Yougen; Lu, Zhouguang [College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan 410083 (China); Zheng, Shuqin [Department of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, Shuyuan Load, Yueyang, Hunan 414000 (China)

    2009-11-15

    Spinel-type CuY{sub y}Fe{sub 2-y}O{sub 4}-CuCo{sub 2}O{sub 4} nanocomposites have been successfully synthesized via a facile citric acid (CA)-assisted sol-gel method. And the as-synthesized nanocomposites have been characterized by techniques of X-ray diffraction (XRD), nitrogen adsorption BET method, and transmission electron microscopy (TEM). The samples are composed of primary ultrafine nanoparticles with nearly spherical morphology and mean particle size of about 80 nm. Moreover, the photocatalytic H{sub 2} evolution activity of the as-obtained samples has been evaluated from aqueous oxalic acid solution under visible light irradiation. The influence of photocatalyst type, calcination temperature, Y{sup 3+} doping content, and the durability of the as-obtained photocatalyst have been investigated in detail. The best photocatalytic H{sub 2} evolution activity was obtained over the as-synthesized CuY{sub 0.08}Fe{sub 1.92}O{sub 4}-CuCo{sub 2}O{sub 4} nanocomposite. (author)

  18. Impedance spectroscopy study and phase transition in phospho-vanadium mixed oxide LiZnV{sub 0.5}P{sub 0.5}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Rahal, A.; Guidara, Kamel; Megdiche, Makram [Sfax Universite, Laboratoire de Caracterisations Spectroscopiques et Optique des Materiaux (LaSCOM), Faculte des Sciences de Sfax, BP 1171, Sfax (Tunisia); Megdiche Borchani, S. [Sfax Universite, Laboratoire de Caracterisations Spectroscopiques et Optique des Materiaux (LaSCOM), Faculte des Sciences de Sfax, BP 1171, Sfax (Tunisia); Institut Superieur D' Informatique et de Multimedia de Sfax (ISIMS), Pole Technologique de Sfax, Sakiet Ezzit, BP 242, Sfax (Tunisia)

    2017-08-15

    An X-ray crystallographic study has allowed us to identify a powder of the type LiZnV{sub 0.5}P{sub 0.5}O{sub 4}, which contains 50% of vanadium and 50% of phosphor, inside the binary system LiZnVO{sub 4}-LiZnPO{sub 4}. The structure is isotypic with the phenacite like LiZnP0{sub 4}. X-ray diffraction patterns are indexed according to the lattice parameters of the rhombohedral system and the R3 space group. IR spectra show the presence of VO{sub 4} and PO{sub 4} groups in the network of this material. The experimental results indicate that σ{sub AC}(ω) is proportional to (ω{sup n}). The activation energy found from the Arrhenius plot confirms that the conduction processing of the material is not due to simple hopping mechanism. The temperature dependence of frequency exponent n was investigated to understanding the conduction mechanism in LiZnV{sub 0.5}P{sub 0.5}O{sub 4}. The non-overlapping small Polaron tunneling (NSPT) model can explain the temperature dependence of the frequency exponent. A phase transition at T = 623 K has been evidenced by Differential scanning calorimetry (DSC) and subsequently confirmed by the analysis of dielectric and electric properties. (orig.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-04-15

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

  20. Optical characteristics of BaGa{sub 2}S{sub 4}:Ho{sup 3+} and BaGa{sub 2}Se{sub 4}:Ho{sup 3+} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Choe, Sung-Hyu [Chosun University, Kwangju (Korea, Republic of); Jin, Moon-Seog [Dongshin University, Naju (Korea, Republic of); Kim, Wha-Tek [Chonnam National University, Kwangju (Korea, Republic of)

    2005-11-15

    BaGa{sub 2}S{sub 4}, BaGa{sub 2}S{sub 4}:Ho{sup 3+}, BaGa{sub 2}Se{sub 4}, and BaGa{sub 2}Se{sub 4}:Ho{sup 3+} single crystals were grown by using the chemical transport reaction method. The optical energy gaps of the single crystals were investigated in the temperature region from 11 K to 300 K. The temperature dependence of the optical energy gap was well fitted by the Varshni equation. Two broad emission bands were observed in the photoluminescence spectra of the single crystals. These bands were attributed to donor-acceptor pair recombinations. Sharp emission peaks were observed in the BaGa{sub 2}S{sub 4}:Ho{sup 3+} and the BaGa{sub 2}Se{sub 4}:Ho{sup 3+} single crystals and were assigned to radiation recombination between split Stark levels of Ho{sup 3+}.

  1. Detonation study of two stoichiometric mixtures (CH{sub 4}/H{sub 2}/O{sub 2}/N{sub 2} and CH{sub 4}/C{sub 2}H{sub 6}/O{sub 2}/N{sub 2}). Influence of the relative proportion of both fuels and of the initially high temperature; Etude de la detonation de deux melanges stoechiometriques (CH{sub 4}/H{sub 2}/O{sub 2}/N{sub 2} et CH{sub 4}/C{sub 2}H{sub 6}/O{sub 2}/N{sub 2}). Influence de la proportion relative des deux combustibles et de la temperature initiale elevee

    Energy Technology Data Exchange (ETDEWEB)

    Matignon, Ch.

    2000-12-15

    Detonations of gaseous reactive mixtures made of two fuels of very different detonability xH{sub 2}+(1-x)CH{sub 4} and xC{sub 2}H{sub 6}+(1-x)CH{sub 4} in stoichiometric proportion with oxygen and diluted with nitrogen (in proportions varying from pure oxygen to the air) are investigated. The parameters of the study are the relative proportion x of fuels, nitrogen dilution B = O{sub 2}/N{sub 2} and the initial conditions of temperature and pressure. This study takes place within the general context of the chemical process safety improvement. Detonability was evaluated by the comparison between the characteristic cell size measurement of the three-dimensional structure of the autonomous and stationary detonation front with the chemical induction length calculated on the assumptions of the ZND model by means of several detailed chemical kinetics mechanisms. The results obtained for the mixtures with single fuel show that the detonability of methane decreases according to the initial temperature whatever the dilution B, and that the one of ethane and hydrogen decreases with B = 0 but increases with B = 3,76 (air) (the inversion of behaviour occurs for B = 2 for ethane, and B=1 for hydrogen). The results obtained for the mixtures with two fuels show that their detonability is each time influenced by the heaviest fuel, i.e. that the detonability of H{sub 2}/CH{sub 4} mixtures is rather controlled by CH{sub 4} whereas the one of C{sub 2}H{sub 6}/CH{sub 4} mixtures is rather controlled by C{sub 2}H{sub 6}. With pure oxygen (B = 0), these mixtures are desensitized by the increase of the initial temperature. Beyond a certain value x, an inversion of detonability according to x is observed. (author)

  2. Effect of carbonate and phosphate ratios on the transformation of calcium orthophosphates

    Energy Technology Data Exchange (ETDEWEB)

    Eliassi, Mohammad Daoud, E-mail: eliassi2007@gmail.com [Key Laboratory of Arable Land Conservation (Middle and Lower Reaches of Yangtze River), Ministry of Agriculture, College of Resources and Environment, Huazhong Agricultural University, Wuhan 430070 (China); Zhao, Wei [State Key Laboratory of Soil Erosion and Dryland Farming on Loess Plateau, Institute of Soil and Water Conservation, Chinese Academy of Sciences, Yangling 712100 (China); Tan, Wen Feng, E-mail: wenfeng.tan@hotmail.com [Key Laboratory of Arable Land Conservation (Middle and Lower Reaches of Yangtze River), Ministry of Agriculture, College of Resources and Environment, Huazhong Agricultural University, Wuhan 430070 (China)

    2014-07-01

    Graphical abstract: Complexes among phosphate, carbonate and calcium have been prepared via a facile hydrothermal route. The synthesized product at the low (0.15) and the high (1.8) molar ratio of PO{sub 4}{sup 3−}/CO{sub 3}{sup 2−} is calcium phosphate hydrate and hydroxylapatite (HAp), respectively. Molar ratios of PO{sub 4}{sup 3−}/CO{sub 3}{sup 2−} are effective on the reduction of carbonate activity during the crystallization of HAp. - Highlights: • Formation of different complexes from CO{sub 3}{sup 2−}, PO{sub 4}{sup 3−} and Ca{sup 2+} solutions at 60 °C. • Molar ratios of PO{sub 4}{sup 3−}/CO{sub 3}{sup 2} cause changes in phase and size of synthesized products. • Addition of PO{sub 4}{sup 3} inhibited the activity of CO{sub 3}{sup 2−} during bound with Ca{sup 2+}. • The phase transformation was completed, when CO{sub 3}{sup 2−} peaks disappeared in FTIR. • PO{sub 4}{sup 3−}, CO{sub 3}{sup 2−} and Ca{sup 2+} distributed heterogeneously on the surface of precipitation. - Abstract: Complexes among phosphate, carbonate and calcium have been synthesized by a designed hydrothermal method. Effects of carbonate and phosphate ratios on the transformation of calcium-orthophosphates were investigated. With X-ray diffraction measurement the synthesized product at the low (0.15) and the high (1.8) molar ratio of PO{sub 4}{sup 3−}/CO{sub 3}{sup 2−} is calcium phosphate hydrate at pH 9.0, and hydroxylapatite (HAp) at pH 8.0, respectively. Fourier transform infrared spectroscopy of product at the high ratio (1.8) of PO{sub 4}{sup 3−}/CO{sub 3}{sup 2−} shows that the CO{sub 3}{sup 2−} peaks disappear, and the strong peaks at 1412 and 1460 cm{sup −1} are assigned to the vibrations of PO{sub 4}{sup 3−} in HAp. {sup 31}P nuclear magnetic resonance spectra of products at the low (0.15–0.6) to the high (1.2–1.8) ratios of PO{sub 4}{sup 3−}/CO{sub 3}{sup 2−} are obtained at 2.9 and 2.7 ppm, respectively. Molar ratios of PO{sub

  3. Unprecedented connection mode of [V{sub 16}Sb{sub 4}O{sub 42}(H{sub 2}O)]{sup 8-} cluster anions by Mn{sup 2+} centered complexes. Solvothermal synthesis and properties of {[Mn(teta)]_4V_1_6Sb_4O_4_2(H_2O)}{sub n}.[(H{sub 2}O){sub 12}]{sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, Maren; Naether, Christian; Bensch, Wolfgang [Institute of Inorganic Chemistry, Christian-Albrechts-University of Kiel (Germany); Leusen, Jan van; Koegerler, Paul [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany)

    2017-11-17

    The new compound {[Mn(teta)]_4V_1_6Sb_4O_4_2}{sub n}.[(H{sub 2}O){sub 12}]{sub n} (teta = triethylenetetraamine) was synthesized under solvothermal conditions. The crystal structure features the high nuclearity [V{sub 16}{sup IV}Sb{sub 4}{sup III}O{sub 42}(H{sub 2}O)]{sup 8-} cluster anion, which consists of two rings composed of 8 edge-sharing VO{sub 5} polyhedra. The rings are perpendicular to each other generating four niches, which are occupied by two VO{sub 5} pyramids and two handle-like Sb{sub 2}O{sub 5} units. The two unique anions are each surrounded by eight Mn{sup 2+} centered complexes via Mn-O{sub term}-V bonds. Such an expansion has never been observed in heterometal polyoxovanadate chemistry. The connection mode between cluster anions and complex cations generates two individual layers stacked onto each other. Between the layers weak Sb..O contacts are observed. The crystal water molecules are mainly located in the empty space between the layers. Upon heating H{sub 2}O molecules are removed, while the crystal structure remains intact. The magnetic behavior is dominated by strong antiferromagnetic exchange interactions between the central V{sup 4+} ions, while the interaction between the cluster anion and central Mn{sup 2+} ions is significantly less pronounced. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Comparison of the reactivity of 2-Li-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2} with MCl{sub 4} (M=Th, U). Isolation of a thorium aryl complex or a uranium benzyne complex

    Energy Technology Data Exchange (ETDEWEB)

    Seaman, Lani A.; Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W. [California Univ., Santa Barbara, CA (United States). Dept. of Chemistry and Biochemistry; Tsuchiya, Takashi; Jakubikova, Elena [North Carolina State Univ., Raleigh, NC (United States). Dept. of Chemistry

    2013-09-27

    Individualism under actinoids: The reaction of 2-Li-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2} with [MCl{sub 4} (dme) {sub n}] (M=Th, n=2; M=U, n=0) gives the thorium aryl complex [Th(2-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2}){sub 4}] or the uranium benzene complex Li[U(2,3-C{sub 6}H{sub 3}CH{sub 2}NMe{sub 2})(2-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2}){sub 3}]. A DFT analysis suggests that the formation of a benzyne complex with uranium but not with thorium is a kinetic and not thermodynamic effect. [German] Individualismus unter Actinoiden: Die Reaktion von 2-Li-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2} mit [MCl{sub 4} (dme) {sub n}] (M=Th, n=2; M=U, n=0) ergibt den Thoriumarylkomplex [Th(2-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2}){sub 4}] bzw. den Uranbenz-inkomplex Li[U(2,3-C{sub 6}H{sub 3}CH{sub 2}NMe{sub 2})(2-C{sub 6}H{sub 4}CH{sub 2}NMe{sub 2}){sub 3}]. Einer dichtefunktionaltheoretischen Analyse zufolge ist es kinetisch und nicht thermodynamisch bedingt, dass der Benz-inkomplex im Fall von Uran entsteht, nicht aber im Fall von Thorium.

  5. Electrochemical activity of Li{sub 2}FeTiO{sub 4} and Li{sub 2}MnTiO{sub 4} as potential active materials for Li ion batteries: A comparison with Li{sub 2}NiTiO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Kuezma, Mirjana; Dominko, Robert; Bele, Marjan; Jamnik, Janko [National Institute of Chemistry, Ljubljana (Slovenia); Meden, Anton [Faculty of Chemistry and Chemical Technology, University of Ljubljana (Slovenia); Makovec, Darko [Jozef Stefan Institute, Ljubljana (Slovenia); Gaberscek, Miran [National Institute of Chemistry, Ljubljana (Slovenia); Faculty of Chemistry and Chemical Technology, University of Ljubljana (Slovenia)

    2009-04-01

    We demonstrate, for the first time, a considerable electrochemical activity of two members of lithium transition element titanates: Li{sub 2}FeTiO{sub 4} and Li{sub 2}MnTiO{sub 4}. Both materials consist of 10-20 nm particles embedded in a conductive carbon coating. We show that not the coating but the small particle size is decisive for materials' activity. Li{sub 2}FeTiO{sub 4} shows a stable reversible capacity of up to 123 mA hg{sup -1} at C/20 and 60 C which is 83% of the theoretical value for exchange of 1 electron (148 mA hg{sup -1}). Li{sub 2}MnTiO{sub 4} could only be prepared in a nanosized form that contained about 30% of impurities. The capacity of the whole material (including impurities) is comparable to that of Li{sub 2}FeTiO{sub 4} but the cycling stability is much poorer. In contrast to the Fe and Mn analogues, the third member of the titanate family, Li{sub 2}NiTiO{sub 4}, shows a good electrochemistry even when the particle size is much larger (about 100 nm). During initial cycles at C/10 and 60 C, exchange of more than 1 electron per compound formula has been observed. The cycling stability at high temperatures, however, is poor. (author)

  6. Fabrication and photocatalytic activity enhanced mechanism of direct Z-scheme g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4} photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Bicheng [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Department of Science and Environmental Studies The Hong Kong Institute of Education, Tai Po, N.T., Hong Kong (China); Xia, Pengfei; Li, Yao [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Ho, Wingkei, E-mail: keithho@ied.edu.hk [Department of Science and Environmental Studies The Hong Kong Institute of Education, Tai Po, N.T., Hong Kong (China); Yu, Jiaguo, E-mail: jiaguoyu@yahoo.com [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

    2017-01-01

    Highlights: • g-C{sub 3}N{sub 4} acted as a support for the in situ growth of β-Ag{sub 2}WO{sub 4}. • g-C{sub 3}N{sub 4} nanosheets inhibited the phase transformation of β-Ag{sub 2}WO{sub 4} to α-Ag{sub 2}WO{sub 4}. • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4} exhibited a superior photocatalytic activity. • A direct Z-scheme photocatalytic mechanism could explain activity enhancement. - Abstract: Herein, a direct Z-scheme graphitic carbon nitride (g-C{sub 3}N{sub 4})/silver tungstate (Ag{sub 2}WO{sub 4}) photocatalyst was prepared by a facile in situ precipitation method using g-C{sub 3}N{sub 4} as a support and silver nitrate as a precursor. X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and elemental mapping demonstrated that β-Ag{sub 2}WO{sub 4} nanoparticles were evenly distributed on the surface of g-C{sub 3}N{sub 4} nanosheets, which acted as a support for the nucleation and growth of β-Ag{sub 2}WO{sub 4} and inhibited the phase transformation of metastable β-Ag{sub 2}WO{sub 4} to stable α-Ag{sub 2}WO{sub 4}. Photocatalytic experiments indicated that the g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4} nanocomposite photocatalyst displayed a better photocatalytic activity than pure g-C{sub 3}N{sub 4} and Ag{sub 2}WO{sub 4} toward the degradation of methyl orange. The enhanced photocatalytic performance of g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4} could be well explained by a direct Z-scheme photocatalytic mechanism. This mechanism was related to the efficient space separation of photogenerated electron–hole pairs and the great oxidation and reduction capabilities of the g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4} system. This work provided new insights into the design and fabrication of g-C{sub 3}N{sub 4}-based direct Z-scheme photocatalysts.

  7. Novel synthetic route to molybdenum hydrido-thiocarbamoyl and hydrosulfido-carbyne complexes by reactions of trans-Mo(N{sub 2}){sub 2}(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} with N,N-dimethylthioformamide

    Energy Technology Data Exchange (ETDEWEB)

    Luo, X.L.; Kubas, G.J.; Burns, C.J.; Butcher, R.J. [Los Alamos National Lab., NM (United States)

    1995-07-01

    The reactions of bis(dinitrogen)molybdenum complexes trans-Mo(N{sub 2}){sub 2}(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} (R = Ph, Et) with N,N-dimethylthioformamide (HC(S)NMe{sub 2}) in refluxing benzene under argon give the molybdenum hydrido-thiocarbamoyl complexes MoH({eta}{sup 2}-C(S)NMe{sub 2})(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} (R = Ph (1a), Et (1b)). On heating at 125{degree}C in toluene solutions, compounds 1a and 1b rearrange to form the molybdenum hydrosulfido-aminocarbyne complexes trans-Mo(SH)-(=CNMe{sub 2})(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} (R = Ph (2a), Et (2b)). A mechanism is proposed for this thermal rearrangement which involves migration of the hydride ligand from molybdenum to the sulfur atom of the thiocarbamoyl ligand to give the 16-electron Fischer carbene intermediate Mo-(=C(SH)NMe{sub 2})(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2}, followed by migration of the hydrosulfido group from the carbene carbon to molybdenum. The molecular structures of compounds 1a and 2a have been determined by single-crystal X-ray diffraction studies. 30 refs., 4 figs., 4 tabs.

  8. Long-term stability of FeSO{sub 4} and H{sub 2}SO{sub 4} treated chromite ore processing residue (COPR): Importance of H{sup +} and SO{sub 4}{sup 2−}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xin [School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Zhang, Jingdong [School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Wang, Linling, E-mail: wanglinling@mail.hust.edu.cn [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Chen, Jing, E-mail: chenjing@mail.hust.edu.cn [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Hou, Huijie; Yang, Jiakuan [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Lu, Xiaohua [School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2017-01-05

    Highlights: • The long-term stability of the FeSO{sub 4}-H{sub 2}SO{sub 4} treated COPR was evaluated. • Reliable long-term stability for samples curing 400 days was achieved. • H{sub 2}SO{sub 4} significantly enhanced the stabilization efficiency of COPR using FeSO{sub 4}. • H{sup +} and SO{sub 4}{sup 2−} both reinforced Cr(VI) release from COPR core to react with Fe(II). - Abstract: In this study, the long-term stability of Cr(VI) in the FeSO{sub 4} and H{sub 2}SO{sub 4} (FeSO{sub 4}-H{sub 2}SO{sub 4}) treated chromite ore processing residue (COPR) after 400 curing days and the stabilization mechanisms were investigated. FeSO{sub 4}-H{sub 2}SO{sub 4} treatment significantly reduced toxicity characteristic leaching procedure (TCLP) and synthetic precipitation leaching procedure (SPLP) Cr(VI) concentrations to lower than the regulatory limit of 1.5 mg L{sup −1} (HJ/T 301-2007, China EPA) even for the samples curing 400 days, achieving an outstanding long-term stability. Our independent leaching tests revealed that H{sup +} and SO{sub 4}{sup 2−} have synergistic effect on promoting the release of Cr(VI), which would make Cr(VI) easier accessed by Fe(II) during stabilization. The contributions of H{sup +} and SO{sub 4}{sup 2−} to Cr(VI) release ratio were 25%–44% and 19%–38%, respectively, as 5 mol H{sub 2}SO{sub 4} per kg COPR was used. X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and alkaline digestion analyses were also employed to interpret the possible stabilization mechanism. Cr(VI) released from COPR solid was reduced to Cr(III) by Fe(II), and then formed stable Fe{sub x}Cr{sub (1−x)}(OH){sub 3} precipitate. This study provides a facile and reliable scheme for COPR stabilization, and verifies the excellent long-term stability of the FeSO{sub 4}-H{sub 2}SO{sub 4} treated COPR.

  9. Sintering behaviour and phase relationships of Si[sub 3]N[sub 4] ceramics in the Si[sub 3]N[sub 4]-SiO[sub 2]-MgO-Y[sub 2]O[sub 3] system. Sinterverhalten und Phasenbeziehungen von Si[sub 3]N[sub 4]-Keramiken im System Si[sub 3]N[sub 4]-SiO[sub 2]-MgO-Y[sub 2]O[sub 3

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, F.M.

    1992-10-12

    The aim of this work is the investigation of the sintering or crystallisation behaviour of Si[sub 3]N[sub 4] ceramics depending on the additive composition in the Si[sub 3]N[sub 4]-SiO[sub 2]-MgO-Y[sub 2]O[sub 3] system. With regard to the complicated manufacturing process of sintered and heat-treated Si[sub 3]N[sub 4] ceramics, one should first determine which additive compositions make complete compression possible. The effect of the composition on the volume and the viscosity of the melting phase should be cleared up, where determining the Si[sub 3]N[sub 4] solubility relative to the additive composition is of special importance. The phase relationships between Si[sub 3]N[sub 4] and the possible crystalline secondary phases should be determined for the crystallisation behaviour. Due to the very fine distribution of only a 5-15% proportion of additive in conventional Si[sub 3]N[sub 4] samples, a characterisation of the secondary phases is difficult to carry out with X-ray or REM/EDX analysis. Therefore, experiments with oxy-nitridic model samples were carried out in this work, which have the same phase relationships as conventional Si[sub 3]N[sub 4] compositions, but with an appreciably higher proportion of additive. The possibility of transferring the results of the model samples were tested on examples of three Si[sub 3]N[sub 4] ceramics. (orig.)

  10. Synthesis and crystal structure of a new homoleptic tetraarylruthenium(IV) complex Ru(2,4,5-Me{sub 3}C{sub 6}H{sub 2}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chang-Jiu; Wu, Xiu-Li; Ma, Xiu-Fang; Jia, Ai-Quan; Zhang, Qian-Feng [Anhui Univ. of Technology, Anhui (China). Inst. of Molecular Engineering and Applied Chemistry and Anhui Province Key Lab. of Metallurgy Engineering and Resources Recycling

    2017-08-01

    Treatment of [Ru(acac){sub 3}] (acac-=acetylacetonate) with (2,4,5-Me{sub 3}C{sub 6}H{sub 2})MgBr, followed by column chromatography in air, afforded the homoleptic tetraaryl-ruthenium(IV) complex [Ru(2,4,5-Me{sub 3}C{sub 6}H{sub 2}){sub 4}] (1) in moderate yield. The product was characterized by proton NMR spectroscopy and microanalyses. Its crystal structure has also been established by X-ray crystallography.

  11. Structural and magnetic properties of CoFe{sub 2}O{sub 4}/NiFe{sub 2}O{sub 4} core/shell nanocomposite prepared by the hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Sattar, A.A. [Department of Physics, Faculty of Science, Ain Shams University, 11566 Abbasia, Cairo (Egypt); EL-Sayed, H.M., E-mail: h_m_elsaid@hotmail.com [Department of Physics, Faculty of Science, Ain Shams University, 11566 Abbasia, Cairo (Egypt); ALsuqia, Ibrahim [Department of Physics, Faculty of Education and Applied Science, Hajjah University, Alshahli, Hajjah (Yemen)

    2015-12-01

    CoFe{sub 2}O{sub 4}/NiFe{sub 2}O{sub 4} core/shell magnetic nanocomposite was synthesized by using hydrothermal method.The analysis of XRD indicated the coexistence of CoFe{sub 2}O{sub 4}, NiFe{sub 2}O{sub 4}as core/shell composite. The core/shell structure of the composite sample has been confirmed by HR-TEM images, EDX and FT-IR measurements. The size of obtained core/shell nanoparticles was 17 nm in core diameter and about 3 nm in shell thickness. The magnetization measurements showed that both the coercive field and the saturation magnetization of the resulting core/shell nanocomposite were slightly decreased compared to those of the CoFe{sub 2}O{sub 4} core but the thermal stability is of the magnetization parameter was enhanced. Furthermore, superparamagnetic phase is established at temperatures higher than the room temperature. The results were discussed in terms of the surface pinning and the magnetic interaction at the interface between the core and shell. - Highlights: • CoFe{sub 2}O{sub 4}/NiFe{sub 2}O{sub 4} core/shell could be prepared by hydrothermal method. • The structural analysis proved the formation of NiFe{sub 2}O{sub 4} shell with thickness 3 nm. • The thermal stability of M{sub s} and H{sub c} is enhanced due to the presence of NiFe{sub 2}O{sub 4} as a shell. • Super paramagnetic transition is confirmed and the effective magnetic anisotropy was calculated.

  12. Structural, elastic and thermodynamic properties under pressure and temperature effects of MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Haddadi, K. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Rached, D. [Department of Physics, Faculty of Science, University of Sidi-Bel-Abbes, 22000 (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)

    2012-06-15

    A density functional-based method is used to investigate the structural, elastic and thermodynamic properties of the cubic spinel semiconductors MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} at different pressures and temperatures. Computed ground structural parameters are in good agreement with the available experimental data. Single-crystal elastic parameters are calculated for pressure up to 10 GPa and temperature up to 1200 K. The obtained elastic constants values satisfy the requirement of mechanical stability, indicating that MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} compounds could be stable in the investigated pressure range. Isotropic elastic parameters for ideal polycrystalline MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} aggregates are computed in the framework of the Voigt-Reuss-Hill approximation. Pressure and thermal effects on some macroscopic properties such as lattice constant, volume expansion coefficient and heat capacities are predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.

  13. Electrochemical properties of LaNi{sub 4.2}Co{sub 0.4}Zn{sub 0.1}Al{sub 0.3} and LaNi{sub 4.3}Co{sub 0.4}Zn{sub 0.1}Al{sub 0.2} alloys as anode materials for Ni-MH batteries

    Energy Technology Data Exchange (ETDEWEB)

    Giza, Krystyna [Czestochowa Univ. of Technology (Poland). Faculty of Production Engineering and Materials Technology

    2017-07-01

    The galvanostatic charge and discharge technique was used for the evaluation of the changes in electrochemical parameters of the tested metal hydride electrodes during the repeated hydrogen absorption and desorption processes. Higher development of the effective surface area during hydrogenation has been obtained for LaNi{sub 4.3}Co{sub 0.4}Zn{sub 0.1}Al{sub 0.2} composite electrode. For the conditions of current ± 0.5 C, the discharge capacities of LaNi{sub 4.2}Co{sub 0.4}Zn{sub 0.1}Al{sub 0.3} and LaNi{sub 4.3}Co{sub 0.4}Zn{sub 0.1}Al{sub 0.2} alloys are 240 and 316 mAh x g{sup -1}, respectively. From the point of view of improving the kinetics of the process of charge transfer at the electrode/electrolyte interface as well as a resistance to self-discharging, a partial substitution of nickel with zinc in the LaNi{sub 4.3}Co{sub 0.4}Al{sub 0.3} alloy is not favorable.

  14. A facile fabrication of plasmonic g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag ternary heterojunction visible-light photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Kai, E-mail: daikai940@chnu.edu.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China); Lv, Jiali [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China); Lu, Luhua, E-mail: lhlu@cug.edu.cn [Faculty of Material Science and Chemical Engineering, China University of Geosciences, Wuhan, 430074 (China); Liang, Changhao [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China); Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei, 230031 (China); Geng, Lei; Zhu, Guangping [College of Physics and Electronic Information, Huaibei Normal University, Huaibei, 235000 (China)

    2016-07-01

    It's important to reduce recombination of electrons and holes and enhance charge transfer through fine controlled interfacial structure. In this work, novel graphitic-C{sub 3}N{sub 4} (g-C{sub 3}N{sub 4})/Ag{sub 2}WO{sub 4}/Ag ternary photocatalyst has been synthesized by deposition of Ag{sub 2}WO{sub 4} onto g-C{sub 3}N{sub 4} template and followed by sun light reduction of Ag{sub 2}WO{sub 4} into Ag{sub 2}WO{sub 4}/Ag. As-prepared g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag presented significantly enhanced photocatalytic performance in degrading methylene blue (MB) under 410 nm LED light irradiation. Metallic Ag{sup 0} is used as plasmonic hot spots to generate high energy charge carriers. Optimal g-C{sub 3}N{sub 4} content has been confirmed to be 40 wt%, corresponding to apparent pseudo-first-order rate constant kapp of 0.0298 min{sup −1}, which is 3.3 times and 37.3 times more than that of pure g-C{sub 3}N{sub 4} and Ag{sub 2}WO{sub 4}, respectively. This novel ternary g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag structure material is an ideal candidate in environmental treatment and purifying applications. - Graphical abstract: A high efficient plasmonic graphitic-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag ternary nanocomposite photocatalyst was synthesized. - Highlights: • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag ternary nanocomposite photocatalyst was prepared. • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag showed high photocatalytic activity. • g-C{sub 3}N{sub 4}/Ag{sub 2}WO{sub 4}/Ag showed long reusable life.

  15. Magnetic signature of charge ordering in Li[Mn sub 1 sub . sub 9 sub 6 Li sub 0 sub . sub 0 sub 4]O sub 4 and Li sub 0 sub . sub 2 [Mn sub 1 sub . sub 9 sub 6 Li sub 0 sub . sub 0 sub 4]O sub 4

    CERN Document Server

    Verhoeven, V W J; Mulder, F M

    2002-01-01

    The stoichiometric compound LiMn sub 2 O sub 4 is known to show charge ordering with well-defined Mn sup 3 sup + and Mn sup 4 sup + sites just below room temperature (RT). Above RT the electrons are hopping rapidly between sites. For lithium-ion batteries the material Li[Mn sub 1 sub . sub 9 sub 6 Li sub 0 sub . sub 0 sub 4]O sub 4 is technologically relevant. Due to the small amount of Li on the Mn site, the low-T regular ordering of the Mn charge appears to be destroyed completely, as is evidenced by neutron diffraction in the magnetically ordered state. However, the charges are still fixed in an irregular fashion, as can also be deduced from sup 7 Li nuclear magnetic resonance measurements. In the lithium-extracted compound Li sub 0 sub . sub 2 [Mn sub 1 sub . sub 9 sub 6 Li sub 0 sub . sub 0 sub 4]O sub 4 , predominantly Mn sup 4 sup + is present. Neutron diffraction in the magnetically ordered state shows a well-defined antiferromagnetic ordering, with doubling of the unit cell in three directions. Clear...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-12-13

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

  17. 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

  18. New studies on the synthesis and structural chemistry of polynary lithium and silver transition metal phosphates; Neue Untersuchungen zur Synthese und Strukturchemie von polynaeren Lithium- und Silber-Uebergangsmetallphosphaten

    Energy Technology Data Exchange (ETDEWEB)

    Mosymow, Emma

    2015-09-11

    In the course of this work extensive equilibrium studies were carried out in the four-system systems Li / M / P / O (M: Cr, Mn) in the search for new, powerful cathode materials for lithium ion batteries. The phosphates LiCr{sup II}{sub 4}(PO{sub 4}){sub 3}, NaCr{sup II}{sub 4}(PO{sub 4}){sub 3}, Li{sub 5}Cr{sup II}{sub 2}Cr{sup III}(PO{sub 4}){sub 4}, monoclines Li{sub 3}Cr{sub 2}(PO{sub 4}){sub 3}, Cr{sup II}{sub 5}Cr{sup III}{sub 2}(P{sub 2}O{sub 7}){sub 4} and LiMn{sup II}{sub 2}P{sub 3}O{sub 10} were obtained for the first time. The present work reports on their synthesis, crystallographic characterization and their spectroscopic and magnetic properties. The equilibrium studies in the Li / Cr / P / O system led to the elucidation of numerous phase relationships. For example, the coexistence regions LiCr{sub 4}(PO{sub 4}){sub 3} / Li{sub 5}Cr{sub 3}(PO{sub 4}){sub 4} / Cr{sub 2}O{sub 3} / CrP and Li{sub 9}Cr{sub 3}(PO{sub 4}){sub 3} / LiCrP{sub 2}O{sub 7} / CrP. The coexistence of some equilibrium phases such as lithium orthophosphate and lithium manganese(II) orthophosphate as well as lithium metaphosphate and manganese(III) metaphosphate were also investigated in the Li / Mn / P / O system. Furthermore, the de-intercalation behavior of silver manganese phosphates was investigated with the possibility of demonstrating metastable phosphates with manganese in oxidation states higher than 3+. In this case the four-substance system Ag / Mn / P / O with Mn(II) and Mn(III) was considered. The reaction conditions were adapted to those of the experiments in the corresponding lithium-containing systems. Within the scope of the equilibrium studies two new pyrophosphates AgMnP{sub 2}O{sub 7} and Ag{sub 1,6}Mn{sub 3}(P{sub 2}O{sub 7}){sub 2} were found and characterized. [German] Bei der Suche nach neuen, leistungsfaehigen Kathodenmaterialien fuer Lithiumionenbatterien wurden im Rahmen dieser Arbeit umfangreiche Gleichgewichtsuntersuchungen in den Vierstoffsystemen Li /M

  19. Two anhydrous zeolite X crystal structures, Pd sub 1 sub 8 Tl sub 5 sub 6 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 and Pd sub 2 sub 1 Tl sub 5 sub 0 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4

    CERN Document Server

    Yoon, B Y; Lee, S H; Kim, Y

    2001-01-01

    The crystal structures of fully dehydrated Pd sup 2 sup + - and Tl sup + -exchanged zeolite X, Pd sub 1 sub 8 Tl sub 5 sub 6 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 (Pd sub 1 sub 8 Tl sub 5 sub 6 X, a = 24.935(4) A) and Pd sub 2 sub 1 Tl sub 5 sub 0 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 (Pd sub 2 sub 1 Tl sub 5 sub 0 -X, a = 24.914(4) A), have been determined by single-crystal X-ray diffraction methods in the cubic space group Fd3 at 21(1) .deg. C. The crystals were prepared using an exchange solution that had a Pd(NH sub 3) sub 4 Cl sub 2 : TINO sub 3 mole ratio of 50 : 1 and 200 : 1, respectively, with a total concentration of 0.05 M for 4 days. After dehydration at 360 .deg. C and 2 x 10 sup - sup 6 Torr in flowing oxygen for 2 days, the crystals were evacuated at 21(1) .deg. C for 2 hours. They were refined to the final error indices R sub 1 = 0.045 and R sub 2 = 0.038 with 344 reflections for Pd sub 1 sub 8 Tl sub 5 sub 6 -X, and R sub 1 = 0.043 and R sub 2 = 0.045 with ...

  20. Synthesis of LiFePO{sub 4}/C cathode material from ferric oxide and organic lithium salts

    Energy Technology Data Exchange (ETDEWEB)

    Shi Zhongqi; Huang Ming [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu, Sichuan 610041 (China); Graduate School of Chinese Academy of Sciences, Beijing, 100039 (China); Huai Yongjian [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu, Sichuan 610041 (China); Graduate School of Chinese Academy of Sciences, Beijing, 100039 (China); China Aviation Lithium Battery Co., Ltd, Luoyang, Henan 471003 (China); Lin Ziji; Yang Kerun [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu, Sichuan 610041 (China); Graduate School of Chinese Academy of Sciences, Beijing, 100039 (China); Hu Xuebu [Department of Chemistry and Materials, Sichuan Normal University, Chengdu, Sichuan 610068 (China); Zhongke Laifang Power Science and Technology Co., Ltd., Chengdu, Sichuan 610041 (China); Deng Zhenghua, E-mail: zhdeng@cioc.ac.c [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu, Sichuan 610041 (China); Graduate School of Chinese Academy of Sciences, Beijing, 100039 (China); Zhongke Laifang Power Science and Technology Co., Ltd., Chengdu, Sichuan 610041 (China)

    2011-04-15

    Research highlights: {yields} LiFePO{sub 4} can be synthesized from Fe{sub 2}O{sub 3} by a sequence of free-radical reactions. {yields} Organic lithium salts can avoid the composition segregation of the precursor. {yields} Low cost ferric oxide and environmentally friendly distilled water are used. - Abstract: LiFePO{sub 4}/C cathode material has been simply synthesized via a modified in situ solid-state reaction route using the raw materials of Fe{sub 2}O{sub 3}, NH{sub 4}H{sub 2}PO{sub 4}, Li{sub 2}C{sub 2}O{sub 4} and lithium polyacrylate (PAALi). The sintering temperature of LiFePO{sub 4}/C precursor is studied by thermo-gravimetric (TG)/differential thermal analysis (DTA). The physical properties of LiFePO{sub 4}/C are then investigated through analysis using by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM) and the electrochemical properties are investigated by electrochemical impedance spectra (EIS), cyclic voltammogram (CV) and constant current charge/discharge test. The LiFePO{sub 4}/C composite with the particle size of {approx}200 nm shows better discharge capacity (156.4 mAh g{sup -1}) than bare LiFePO{sub 4} (52.3 mAh g{sup -1}) at 0.2 C due to the improved electronic conductivity which is demonstrated by EIS. The as-prepared LiFePO{sub 4}/C through this method also shows excellent high-rate characteristic and cycle performance. The initial discharge capacity of the sample is 120.5 mAh g{sup -1} and the capacity retention rate is 100.6% after 50 cycles at 5 C rate. The results prove that the using of organic lithium salts can obtain a high performance LiFePO{sub 4}/C composite.

  1. Unidirectional spin density wave state in metallic (Sr<sub>1-xsub>Lax)>2sub>IrO>4sub>

    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 J<sub>eff> = 1/2 Mott state in Sr<sub>2sub>IrO>4sub>, where introducing carriers is predicted to manifest high temperature superconductivity analogous to the S=1/2 Mott state of La<sub>2sub>CuO>4sub>. 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 Sr<sub>2sub>IrO>4sub>. Here we establish a magnetic parallel between electron-doped Sr<sub>2sub>IrO>4sub> and hole-doped La<sub>2sub>CuO>4sub> by unveiling a spin density wave state in electron-doped Sr<sub>2sub>IrO>4sub>. 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 (La<sub>1-xsub>Srx)>2sub>CuO>4sub>. This link supports the conjecture that the quenched Mott phases in electron-doped Sr<sub>2sub>IrO>4sub> and hole-doped La<sub>2sub>CuO>4sub> support common competing electronic phases.

  2. Fabrication of heterostructured Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} photocatalyst and efficient photodegradation of organic contaminants under visible-light

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Meng; Li, Shuangli; Yan, Tao; Ji, Pengge; Zhao, Xia; Yuan, Kun; Wei, Dong [School of Resources and Environment, University of Jinan, Jinan 250022 (China); Du, Bin, E-mail: dubin61@gmail.com [School of Resources and Environment, University of Jinan, Jinan 250022 (China); Key Laboratory of Chemical Sensing & Analysis in Universities of Shandong, School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022 (China)

    2017-07-05

    Highlights: • The product shows efficient activity in photodegradation of RhB, BPA, and phenol. • The BBOC-10 heterojunction exhibits the best activity under visible light. • Suppressed recombination of photo-generated carriers lead to the activity enhancement. - Abstract: Heterostructured Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} photocatalysts were fabricated by a facile one-pot hydrothermal method, in which melem served as the sacrificial reagent to supply carbonate anions. The as-synthesized Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} heterojunction catalysts were characterized by X-ray diffraction, UV–vis diffuse reflectance spectra, X-ray photoelectron spectroscopy, scanning electron microscope, and transmission electron microscope. The XRD patterns of Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} catalysts showed the distinctive peaks of Bi{sub 2}O{sub 2}CO{sub 3} and Bi{sub 2}O{sub 4}. The SEM and TEM results showed that the pure Bi{sub 2}O{sub 2}CO{sub 3} possessed large plate morphology, while Bi{sub 2}O{sub 4} were composed of various nanorods and particles. As for Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} heterojunction, it was obviously observed that Bi{sub 2}O{sub 4} nanorods and particles were grown on the surfaces of Bi{sub 2}O{sub 2}CO{sub 3} plates. The visible light driven photocatalytic activity of Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} heterojunction photocatalyst was evaluated by decomposing dyes, phenol, and bisphenol A in water. Compared with Bi{sub 2}O{sub 2}CO{sub 3} and Bi{sub 2}O{sub 4}, the Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 2}O{sub 4} photocatalysts have exhibited remarkable enhanced activity under visible light. The excellent activity can be mainly attributed to the enhanced separation efficiency of photo-generated carriers. Controlled experiments using different radical scavengers proved that ·O{sub 2}{sup −} and h{sup +} played the main role in decomposing organic pollutants. The results of this work would

  3. Lattice parameter values and phase transitions for the Cu{sub 2}Cd{sub 1-z}Mn{sub z}SnSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe{sub z}SnSe{sub 4} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Moreno, E. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Quintero, M., E-mail: mquinter@ula.v [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Morocoima, M.; Quintero, E.; Grima, P.; Tovar, R.; Bocaranda, P. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Delgado, G.E.; Contreras, J.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Mora, A.E.; Briceno, J.M.; Avila Godoy, R.; Fernandez, J.L. [Laboratorio de Analisis Quimico y Estructural de Materiales, Departamento de Fisica, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Henao, J.A.; Macias, M.A. [Grupo de Investigacion en Quimica Estructural (GIQUE), Facultad de Ciencias, Escuela de Quimica, Universidad Industrial de Santander, Apartado aereo 678, Bucaramanga (Colombia)

    2009-11-03

    X-ray powder diffraction measurements and differential thermal analysis (DTA) were made on polycrystalline samples of the Cu{sub 2}Cd{sub 1-z}Mn{sub z}SnSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe{sub z}SnSe{sub 4} alloy systems. The diffraction patterns were used to show the equilibrium conditions and to derive lattice parameter values. For Cu{sub 2}Cd{sub 0.8}Fe{sub 0.2}SnSe{sub 4} as well as for Cu{sub 2}Cd{sub 0.2}Fe{sub 0.8}SnSe{sub 4} the crystal structures were refined using the Rietveld method. It was found that the internal distortion parameter sigma decreases as Cd is replaced by either Mn and/or Fe. For the Cu{sub 2}Cd{sub 1-z}Mn{sub z}SnSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe{sub z}SnSe{sub 4} alloy systems, only two single solid phase fields, the tetragonal stannite alpha(I4-bar2m) and the wurtz-stannite delta (Pmn2{sub 1}) structures were found to occur in the diagram. In addition to the tetragonal stannite alpha phase extra X-ray diffraction lines due to MnSe and/or FeSe{sub 2} were observed for as grown samples in the range 0.7 < z < 1.0. However, it was found that the amount of the extra phase decreased for the compressed samples.

  4. Solid state opto-impedance of LiNiVO{sub 4} and LiMn{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Kalyani, P; Sivasubramanian, S; Prabhu, S Naveen; Ragavendran, K; Kalaiselvi, N; Ranganathan, N G; Madhu, S; SundaraRaj, A; Manoharan, S P; Jagannathan, R [Central Electrochemical Research Institute, Karaikudi-630006, Tamil Nadu (India)

    2005-04-07

    Spinel type LiMn{sub 2}O{sub 4} and inverse spinel LiNiVO{sub 4} systems serve as standard cathode materials or potential cathode systems for application in high energy density lithium-ion batteries. Upon photo-excitation using UV radiation of energy {approx}5 eV, the LiNiVO{sub 4} system shows significant modification in the solid state impedance pattern while the LiMn{sub 2}O{sub 4} system does not. This study has revealed a significant difference in the opto-impedance pattern for LiNiVO{sub 4} with respect to LiMn{sub 2}O{sub 4}, which may be due to the different electronic processes involved. An attempt has been made to study this behaviour from the solid-state viewpoint.

  5. Structural, dielectric and magnetic properties of SnO{sub 2}-CuFe{sub 2}O{sub 4} nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Kashif [Department of Physics, International Islamic University, Islamabad (Pakistan); Iqbal, Javed, E-mail: javed.saggu@qau.edu.pk [Laboratory of Nanoscience and Technology (LNT), Department of Physics, Qaid-i-Azam University, Islamabad (Pakistan); Jan, Tariq [Department of Physics, University of Lahore, Sargodha Campus, Sargodha (Pakistan); Wan, Dongyun [School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); Ahmad, Naeem [Department of Physics, International Islamic University, Islamabad (Pakistan); Ahamd, Ishaq [Experimental Physics Labs, National Center for Physics, Islamabad (Pakistan); Ilyas, Syed Zafar [Department of Physics, Allama Iqbal Open University, Islamabad (Pakistan)

    2017-04-15

    The nanocomposites of (SnO{sub 2}){sub x}(CuFe{sub 2}O{sub 4}){sub (1−x)} (where x=0–100 wt%) have been successfully synthesized via two steps chemical method. XRD pattern has revealed the formation of inverse spinal phases with tetragonal crystal structure without any impurity phases for CuFe{sub 2}O{sub 4} sample. The thermodynamic solubility limit of SnO{sub 2} in CuFe{sub 2}O{sub 4} matrix has been found to be 30 wt% and above this percentage crystal phases related to SnO{sub 2} started to appear. The average particle size and shape of CuFe{sub 2}O{sub 4} nanoparticles have been strongly influenced by addition of SnO{sub 2} as depicted by TEM results. FTIR results have confirmed the existence of cation vibration bands at tetrahedral and octahedral sites along with Sn-O vibration band at higher concentrations, which also validates the formation of nanocomposites. Furthermore, the dielectric constant, tangent loss and conductivity of CuFe{sub 2}O{sub 4} nanoparticles have been found to increase up to 30 wt% addition of SnO{sub 2} and then decreases with further increase which is attributed to variations in resistivity and space charge carriers. Magnetic measurements have shown that saturation magnetization decreases from 35.68 emu/gm to 10.26 emu/gm with the addition of SnO{sub 2} content. - Highlights: • SnO{sub 2}-CuFe{sub 2}O{sub 4} nanocomposites with varying SnO{sub 2} concentrations were synthesized. • The thermodynamic solubility limit for SnO{sub 2} into CuFe{sub 2}O{sub 4} matrix by employing current method was found to be ≤30 wt%. • At higher concentrations, structural phases related to SnO{sub 2} started to appear. • FTIR results corroborated well with the XRD results. • It has been observed that the addition of SnO{sub 2} significantly influence the morphology, dielectric and magnetic properties of CuFe{sub 2}O{sub 4} nanoparticles.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-28

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

  7. LiV<sub>2sub>O>4sub>: 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 LiV<sub>2sub>O>4sub>. 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 LiV<sub>2sub>O>4sub> is introduced [removed for separate processing]. The preparation methods employed by the author for nine LiV<sub>2sub>O>4sub> and two Li<sub>1+xsub>Ti>2-xsub>O>4sub> (x = 0 and 1/3) polycrystalline samples are introduced in Chapter 3. The subsequent structural characterization of the LiV<sub>2sub>O>4sub> and Li<sub>1+xsub>T>2-xsub>O>4sub> 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 LiV<sub>2sub>O>4sub> 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

  8. Improved photoelectrochemical performance of Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4} heterostructure and degradation property

    Energy Technology Data Exchange (ETDEWEB)

    Li, Junqi, E-mail: sfmlab@163.com; Yuan, Huan; Zhu, Zhenfeng

    2016-11-01

    Highlights: • A novel Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4} composite was synthesized. • The Z-scheme system we made can remain the strong reducibility and oxidizability of the photocatalysts. • The solar light was made the utmost use both the ultraviolet and visible region light through the g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4} composite. - Abstract: In g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4}, the p–n junction between p-type Bi{sub 2}O{sub 3} and n-type BiPO{sub 4} was encapsulated by g-C{sub 3}N{sub 4} and a direct Z-scheme was built between g-C{sub 3}N{sub 4} and Bi{sub 2}O{sub 3}. The optical, morphological and photoelectrochemical (PEC) properties of BiPO{sub 4}, g-C{sub 3}N{sub 4}/BiPO{sub 4}, Bi{sub 2}O{sub 3}/BiPO{sub 4} and g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4} hierarchical Z-scheme system were studied. More than 90% photodegradation of methyl orange (MO) with the exposure of simulated solar light was achieved within 160 min with the g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4}, which displayed remarkably promoted photocatalytic activities than other samples. The electrochemical impedance spectra and photocurrent results also proved that efficient charge separation and better electron transport properties were achieved by g-C{sub 3}N{sub 4}/Bi{sub 2}O{sub 3}/BiPO{sub 4}. In general, the addition of g-C{sub 3}N{sub 4} can guide the residual electrons on p-type Bi{sub 2}O{sub 3} to recombine with photoholes of g-C{sub 3}N{sub 4} and make sure the left carries exhibit stronger oxidation and reduction ability to boost the production of active groups.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-15

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

  10. 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.

  11. Selective photocatalytic reduction of CO{sub 2} by H{sub 2}O/H{sub 2} to CH{sub 4} and CH{sub 3}OH over Cu-promoted In{sub 2}O{sub 3}/TiO{sub 2} nanocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Tahir, Muhammad, E-mail: mtahir@cheme.utm.my [Chemical Reaction Engineering Group (CREG), Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, UTM, Johor Bahru, Johor (Malaysia); Department of Chemical Engineering, COMSATS Institute of Information Technology, Lahore, Punjab (Pakistan); Tahir, Beenish; Saidina Amin, Nor Aishah; Alias, Hajar [Chemical Reaction Engineering Group (CREG), Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, UTM, Johor Bahru, Johor (Malaysia)

    2016-12-15

    Highlights: • Cu-promoted In{sub 2}O{sub 3}/TiO{sub 2} nanocatalysts tested for CO{sub 2} photoreduction with H{sub 2}O/H{sub 2}. • Production of CH{sub 4} and CH{sub 3}OH depends on reductants type and metal-loading to TiO{sub 2}. • CH{sub 4} production over Cu-In/TiO{sub 2} was 1.5 fold more than In/TiO{sub 2} and 5 times the TiO{sub 2}. • The Cu-promoted CH{sub 3}OH production while In gave more CH{sub 4} with water vapors. • The H{sub 2} reductant gave negative effect for CH{sub 4} but enhanced CH{sub 3}OH production. - Abstract: Photocatalytic CO{sub 2} reduction by H{sub 2}O and/or H{sub 2} reductant to selective fuels over Cu-promoted In{sub 2}O{sub 3}/TiO{sub 2} photocatalyst has been investigated. The samples, prepared via a simple and direct sol-gel method, were characterized by XRD, SEM, TEM, XPS, N{sub 2} adsorption-desorption, UV–vis diffuse reflectance, Raman and PL spectroscopy. Cu and In loaded into TiO{sub 2}, oxidized as Cu{sup 2+} and In{sup 3+}, promoted efficient separation of photo-generated electron/hole pairs (e{sup −}/h{sup +}). The results indicate that the reduction rate of CO{sub 2} by H{sub 2}O to CH{sub 4} approached to 181 μmol g{sup −1} h{sup −1} using 0.5% Cu-3% In{sub 2}O{sub 3}/TiO{sub 2} catalyst, a 1.53 fold higher than the production rate over the 3% In{sub 2}O{sub 3}/TiO{sub 2} and 5 times the amount produced over the pure TiO{sub 2}. In addition, Cu was found to promote efficient production of CH{sub 3}OH and yield rate reached to 68 μmol g{sup −1} h{sup −1} over 1% Cu-3% In{sub 2}O{sub 3}/TiO{sub 2} catalyst. This improvement was attributed to charge transfer property and suppressed recombination rate by Cu-metal. More importantly, H{sub 2} reductant was less favorable for CH{sub 4} production, yet a significant amount of CH{sub 4} and CH{sub 3}OH were obtained using a mixture of H{sub 2}O/H{sub 2} reductant. Therefore, Cu-loaded In{sub 2}O{sub 3}/TiO{sub 2} catalyst has shown to be capable for

  12. Significant visible-light photocatalytic enhancement in Rhodamine B degradation of silver orthophosphate via the hybridization of N-doped graphene and poly(3-hexylthiophene)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanlin, E-mail: zhangyl@scnu.edu.cn; Xie, Churu; Gu, Feng Long, E-mail: Gu@scnu.edu.cn; Wu, Honghai; Guo, Qiang

    2016-09-05

    Highlights: • The Ag{sub 3}PO{sub 4}/NG/P3HT composites were synthesized via a facile method. • The Ag{sub 3}PO{sub 4}/NG/P3HT composites exhibit excellent photocatalytic activity for RhB degradation. • The kinetic constant of Ag{sub 3}PO{sub 4}/NG/P3HT is more than 6 times of pristine Ag{sub 3}PO{sub 4}. • The composites show better recyclability and stability than pristine Ag{sub 3}PO{sub 4}. - Abstract: Organic pollutants as typical water contaminants are potentially harmful to human health. In this study, we suggested that the novel Ag{sub 3}PO{sub 4}/N-doped graphene (NG)/Poly(3-hexylthiophene) (P3HT) composites can remove the organic dye Rhodamine B (RhB) from water. This Ag{sub 3}PO{sub 4}-based photocatalyst was synthesized via a facile method and subsequently characterized by XRD, SEM, TEM, XPS, Raman spectroscopy, PL spectroscopy, and UV–vis DRS. The photocatalytic activity of Ag{sub 3}PO{sub 4}/NG/P3HT composites is significantly higher than that of pristine Ag{sub 3}PO{sub 4}, Ag{sub 3}PO{sub 4}/NG, and Ag{sub 3}PO{sub 4}/P3HT for RhB degradation under visible light irradiation, especially the kinetic constant of Ag{sub 3}PO{sub 4}/NG/P3HT is more than 6 times of pristine Ag{sub 3}PO{sub 4}. The reactive oxygen species trapping experiments indicate that the degradation of RhB over the Ag{sub 3}PO{sub 4}/NG/P3HT composites mainly results from the holes oxidation and superoxide radical reduction. Besides, Ag{sub 3}PO{sub 4}/NG/P3HT composites exhibit better recyclability and stability than pristine Ag{sub 3}PO{sub 4}. Furthermore, the photocatalytic mechanism of Ag{sub 3}PO{sub 4}/NG/P3HT composites for RhB degradation under visible light was proposed as the synergistic effect of irradiated Ag{sub 3}PO{sub 4}, P3HT and NG sheets on the effective separation of photogenerated electron-hole pairs, and the enhancement of visible light absorbance.

  13. Mn-Na{sub 2}WO{sub 4}/SiO{sub 2}. An industrial catalyst for methane coupling?

    Energy Technology Data Exchange (ETDEWEB)

    Yildiz, M.; Arndt, S.; Otremba, T.; Thomas, A.; Schomaeker, R. [Technische Univ. Berlin (Germany). Dept. of Chemistry; Simon, U.; Berthold, A.; Goerke, O.; Schubert, H. [Technische Univ. Berlin (Germany). Dept. of Materials Science; Aksu, Y. [Akdeniz Univ. (Turkey). Dept. of Material Science and Engineering

    2012-07-01

    The oxidative coupling of methane (OCM) is one of the best reactions for the direct conversion of methane. Despite all efforts, a suitable OCM process has not been put into practice yet, due to a lack of active, selective and stable catalyst. Mn-Na{sub 2}WO{sub 4}/SiO{sub 2} has attracted great interest because of its proven long term stability and its highly suitable catalytic performance. In spite of the large number of studies on this catalyst, structural characterizations are very difficult due to its complex trimetallic and multiphase nature. Previously, we studied a broad variety of support materials for the Mn-Na{sub 2}WO{sub 4}/SiO{sub 2} catalyst, e.g. Al{sub 2}O{sub 3}, TiO{sub 2}, ZrO{sub 2} and MgO. We found that SiO{sub 2} is the most suitable support material. A variation of the SiO{sub 2} materials showed that the catalytic performance does not differ substantially. However, the performance of SBA-15 supported Mn-Na{sub 2}WO{sub 4} catalyst was outstanding in comparison to all other silica supported catalysts. The reason of this substantial increase in the activity could be the ordered mesoporous structure of its support material. To understand the reaction mechanism, the kinetic isotope effect (KIE) with CD{sub 4} over Mn-Na{sub 2}WO{sub 4}/SiO{sub 2} was studied, we found that the consecutive oxidation of the C{sub 2} products is an important constraint as described in the literature for other catalysts. In order to apply this catalyst in a miniplant, we developed an upscaled preparation procedure via a fluidized bed granulation, allowing the preparation of large amounts of this catalyst. (orig.)

  14. Enhancement of photoluminescence properties and modification of crystal structures of Si{sub 3}N{sub 4} doping Li{sub 2}Sr{sub 0.995}SiO{sub 4}:0.005Eu{sup 2+} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Song, Kaixin, E-mail: kxsong@hdu.edu.cn [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Zhang, Fangfang [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Chen, Daqin [College of Materials Sciences and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Wu, Song; Zheng, Peng [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Huang, Qingming [Instrument Analysis and Testing Center, Fuzhou University, Fuzhou 350002 (China); Jiang, Jun [Ningbo Institute of Materials Technologies and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Xu, Junming; Qin, Huibin [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China)

    2015-10-15

    Highlights: • Si{sub 3}N{sub 4} modified Li{sub 2}Sr{sub 0.995}SiO{sub 4}:0.005Eu{sup 2+} phosphors were prepared. • The luminescence intensity of Li{sub 2}Sr{sub 0.995}SiO{sub 4}:Eu{sup 2+} was enhanced by doping Si{sub 3}N{sub 4}. • The fluorescence decay times and thermal stability were enhanced by doping Si{sub 3}N{sub 4}. - Abstract: Si{sub 3}N{sub 4} modified Li{sub 2}Sr{sub 0.995}SiO{sub 4}:0.005Eu{sup 2+} (Li{sub 2}Sr{sub 0.995}SiO{sub 4−3x/2}N{sub x}:0.005Eu{sup 2+}) phosphors were synthesized with the conventional solid-state reaction in the reduced atmosphere. The crystal structure and vibrational modes were analyzed by X-ray diffraction, Raman scattering spectroscopy and Rietveld crystal structure refinement. Photoluminescence (PL) and photoluminescence excitation (PLE) spectra showed that Li{sub 2}Sr{sub 0.995}SiO{sub 4−3x/2}N{sub x}:0.005Eu{sup 2+} powder exhibited a broad yellow emission band centered at 560 nm under the excitation of 460 nm visible light, due to the 4f{sup 6}5d{sup 1} → 4f{sup 7} transition of Eu{sup 2+}. The partial nitridation of Li{sub 2}Sr{sub 0.995}SiO{sub 4−3x/2}N{sub x}:0.005Eu{sup 2+} (x = 0.01) phosphors led to a large enhancement in the luminescence intensity, as much as 190%. At the same time, the fluorescence decay behavior curves further showed that the photoluminescence efficiencies of Li{sub 2}Sr{sub 0.995}SiO{sub 4−3x/2}N{sub x}:0.005Eu{sup 2+} phosphors were enhanced by addition of Si{sub 3}N{sub 4}. The temperature quenching characteristics confirmed that the oxynitride based Li{sub 2}Sr{sub 0.995}SiO{sub 4−3x/2}N{sub x}:0.005Eu{sup 2+} showed slightly higher stability. It is implied that Li{sub 2}Sr{sub 0.995}SiO{sub 4−3x/2}N{sub x}:0.005Eu{sup 2+} phosphors had a possible potential application on white LEDs to match blue light chips.

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

  16. Crystallochemical features of solid solutions based on Ga/sub 2/3/Cr/sub 2/S/sub 4/

    Energy Technology Data Exchange (ETDEWEB)

    Titov, V.V.; Kesler, Ya.A.; Gordeev, I.V.; Stupnikov, V.A.

    1988-04-01

    Ga/sub 2/3/Cr/sub 2/S/sub 4/ shows a rare type of phase transition where increases in temperature and pressure produce the disordered modification. A source of disordering can be isomorphous substitution in the tetrahedral sublattice. The authors therefore made and examined solid solutions of Ga/sub (2/3-2x/3)/M/sub x/(Cr/sub 2/)S/sub 4/ type, where M = Fe, Co, Ni, Cu. Specimens containing Fe and show a quasi-continuous solid-solution series, where the Fe system obeys Vegard's rule. Specimens containing nickel show a narrow ordering range. The most interesting results have been obtained for specimens containing copper. Cu/sub x/Ga/sub 2/3(1-x)/Cr/sub 2/S/sub 4/ specimens show a transition from a structure ordered on the tetrahedral positions, symmetry F/anti/43m, to the normal-spinel structure, Fd3m.

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

    Energy Technology Data Exchange (ETDEWEB)

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