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Sample records for subs apps subs

  1. Die App „Weltbrand 1914“ der SUB Hamburg – Ein Werkstattbericht

    Directory of Open Access Journals (Sweden)

    Markus Trapp

    2015-01-01

    Full Text Available Wie kommt eine wissenschaftliche Bibliothek  dazu, eine App entwickeln zu lassen, auf der 100 Jahre alte Zeitungsseiten der Hamburger Nachrichten gelesen werden können, in denen auf Volltextebene recherchiert werden kann und die einen Einblick in Fotos gibt, die zu Beginn des Ersten Weltkrieges veröffentlicht wurden? Wie ist die Vorgeschichte der Tablet-App für iOS und Android, wie ist die SUB Hamburg an diese Aufgabe herangegangen und wie hat sie das Projekt zusammen mit dem Hamburger Softwareunternehmen CCS realisiert? Auf diese Fragen gibt der folgende Werkstattbericht eine Antwort und liefert auch ein erstes persönliches Zwischenfazit von einem der Projektbeteiligten.

  2. Mechanism of superconductivity in Yb sub 1 sub - sub x Ca sub x (Ba sub 0 sub . sub 8 Sr sub O sub . sub 2) sub 2 Cu sub 3 O sub 6 sub + subdelta

    CERN Document Server

    Anvekar, T S; Sarode, P R; Kamat-Dalal, V N; Narlikar, Anant V

    2002-01-01

    EXAFS, X-ray Rietveld refinement and infra-red absorption measurements have been made on Yb sub 1 sub - sub x Ca sub x (Ba sub 0 sub . sub 8 Sr sub 0 sub . sub 2) sub 2 Cu sub 3 O sub 6 sub + subdelta in order to understand the effect of Ca doping on the local structure of planar Cu ion. The study indicates that restoration of superconductivity is due to oxidation of copper ions in the CuO sub 2 planes. (author)

  3. C60 and U ion irradiation of Gd<sub>2sub>TixZr>2-xsub>O>7sub> pyrochlore

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jiaming; Toulemonde, Marcel; Lang, Maik; Costantini, Jean Marc; Della-Negra, Serge; Ewing, Rodney C.

    2015-08-01

    Gd<sub>2sub>TixZr>2-xsub>O>7sub> (x = 0 to 2) pyrochlore was irradiated by 30 MeV C<sub>60sub> clusters, which provide an extremely high ionizing energy density. Here, high-resolution transmission electron microscopy revealed a complex ion-track structure in Gd<sub>2sub>Ti>2sub>O>7sub> and Gd<sub>2sub>TiZrO>7sub>, consisting of an amorphous core and a shell of a disordered, defect-fluorite structure.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-01-01

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

  5. Noggin and BMP4 co-modulate adult hippocampal neurogenesis in the APP{sub swe}/PS1{sub {Delta}E9} transgenic mouse model of Alzheimer's disease

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Jun [Department of Medical Genetics, Third Military Medical University, Chongqing 400038 (China); Department of Physiology, Third Military Medical University, Chongqing 400038 (China); Song, Min; Wang, Yanyan [Department of Medical Genetics, Third Military Medical University, Chongqing 400038 (China); Fan, Xiaotang [Department of Histology and Embryology, Third Military Medical University, Chongqing 400038 (China); Xu, Haiwei, E-mail: haiweixu2001@yahoo.com.cn [Department of Physiology, Third Military Medical University, Chongqing 400038 (China); Bai, Yun, E-mail: baiyungene@gmail.com [Department of Medical Genetics, Third Military Medical University, Chongqing 400038 (China)

    2009-07-31

    In addition to the subventricular zone, the dentate gyrus of the hippocampus is one of the few brain regions in which neurogenesis continues into adulthood. Perturbation of neurogenesis can alter hippocampal function, and previous studies have shown that neurogenesis is dysregulated in Alzheimer disease (AD) brain. Bone morphogenetic protein-4 (BMP4) and its antagonist Noggin have been shown to play important roles both in embryonic development and in the adult nervous system, and may regulate hippocampal neurogenesis. Previous data indicated that increased expression of BMP4 mRNA within the dentate gyrus might contribute to decreased hippocampal cell proliferation in the APP{sub swe}/PS1{sub {Delta}E9} mouse AD model. However, it is not known whether the BMP antagonist Noggin contributes to the regulation of neurogenesis. We therefore studied the relative expression levels and localization of BMP4 and its antagonist Noggin in the dentate gyrus and whether these correlated with changes in neurogenesis in 6-12 mo old APP{sub swe}/PS1{sub {Delta}E9} transgenic mice. Bromodeoxyuridine (BrdU) was used to label proliferative cells. We report that decreased neurogenesis in the APP/PS1 transgenic mice was accompanied by increased expression of BMP4 and decreased expression of Noggin at both the mRNA and protein levels; statistical analysis showed that the number of proliferative cells at different ages correlated positively with Noggin expression and negatively with BMP4 expression. Intraventricular administration of a chimeric Noggin/Fc protein was used to block the action of endogenous BMP4; this resulted in a significant increase in the number of BrdU-labeled cells in dentate gyrus subgranular zone and hilus in APP/PS1 mice. These results suggest that BMP4 and Noggin co-modulate neurogenesis.

  6. 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...

  7. 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 ...

  8. Raman spectra of the solid-solution between Rb sub 2 La sub 2 Ti sub 3 O sub 1 sub 0 and RbCa sub 2 Nb sub 3 O sub 1 sub 0

    CERN Document Server

    Kim, H J; Yun, H S

    2001-01-01

    A site preference of niobium atom in Rb sub 2 sub - sub x La sub 2 Ti sub 3 sub - sub x Nb sub x O sub 1 sub 0 (0.0<=x<=1.0) and RbLa sub 2 sub - sub x Ca sub x Ti sub 2 sub - sub x Nb sub 1 sub + sub x O sub 1 sub 0 (0.0<=x<= 2.0), which are the solid-solutions between Rb sub 2 La sub 2 Ti sub 3 O sub 1 sub 0 are RbCa sub 2 Nb sub 3 O sub 1 sub 0 , has been investigated by Raman spectroscopy. The Raman spectra of Rb sub 2 sub - sub x La sub 2 Ti sub 3 sub - sub x Nb sub x O sub 1 sub 0 (0.0<=x<=1.0) gave an evidence that niobium atoms substituted for titanium atoms preferably occupy the highly distorted outer octahedral sites rather than the central ones in triple-octahedral perovskite layers. In contrast, the Raman spectra of RbLa sub 2 sub - sub x Ca sub x Ti sub 2 sub - sub x Nb sub 1 sub + sub x O sub 1 sub 0 (0.0<=x<= 2.0) showed no clear information for the cationic arrangement in perovskite slabs. This difference indicated that a site preference of niobium atoms is observed onl...

  9. Moessbauer studies of single crystal Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3

    CERN Document Server

    Uhm, Y R; Kim, C S; Tomioka, Y; Tokura, Y

    2000-01-01

    Single crystal Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 was synthesized by using the floating zone method and the relation of magnetic properties and charge ordering transition with lattice dynamics was systematically investigated. Moessbauer spectra of Pr sub 1 sub / sub 3 sub S r sub 2 sub / sub 3 FeO sub 3 were taken at various temperatures ranging from 20 K to room temperature. The charge disproportionation, in which iron with valence states Fe sup 3 sup + and Fe sup 5 sup + was found in a ratio of 2:1, was detected in Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 below 190+-3 K. Iron with valence state Fe sup 4 sup + coexisted in Pr sub 1 sub / sub 3 sub S r sub 2 sub / sub 3 FeO sub 3 at and above 150 K, and its ratio increased from 13 to 66 % with increasing temperature. This result means that charge-ordered and -disordered phases co-exist in Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3.

  10. Crystal structures of Ni sup 2 sup + -and Tl sup + -exchanged zeolite X, Ni sub 1 sub 7 Tl sub 5 sub 8 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4 and Ni sub 1 sub 2 Tl sub 6 sub 8 Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4

    CERN Document Server

    Song, M K; Kim, Y

    2001-01-01

    The crystal structures of fully dehydrated Ni sup 2 sup + - and Tl sup + -exchanged zeolite X (Ni sub 1 sub 7 Tl sub 5 sub 8 -X, and Ni sub 1 sub 2 Tl sub 6 sub 8 -X; X=Si sub 1 sub 0 sub 0 Al sub 9 sub 2 O sub 3 sub 8 sub 4) have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1) .deg. C (a=24.380(4) A, 24.660(4) A, respectively). Their structures have been refined to the final error indices R sub 1 =0.037 and R sub 2 =0.043 with 485 reflections, and R sub 1 =0.039 and R sub 2 =0.040 with 306 reflections, respectively, for which I>3 sigma(I). In Ni sub 1 sub 7 Tl sub 5 sub 8 -X, 17 Ni sup 2 sup + ions per unit cell were found at only two sites: 15 at site I at the center of the hexagonal prism (Ni-O=2.203(9) A). and the remaining 2 at site II near single six-oxygen rings in the supercage (Ni-O=2.16(3) A). Fifty-eight Tl sup + ions were found at five crystallographic sites: 28 at site II (Tl-O=2.626(8) A, 2 at site I' in the sodalite cavity near the hexagonal ...

  11. Observation of the strain-driven charge-ordered state in La sub 0 sub . sub 7 sub C a sub 0 sub . sub 3 MnO sub 3 sub - sub d elta thin film with oxygen deficiency

    CERN Document Server

    Prokhorov, V G; Kaminsky, G G; Svetchnikov, V L; Zandbergen, H W; Lee, Y P; Park, J S; Kim, K W

    2003-01-01

    The magnetic and transport properties of La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 3 sub - sub d elta films with an oxygen deficiency (delta approx 0.1) and a La sub 0 sub . sub 9 Ca sub 0 sub . sub 1 MnO sub 3 film with the stoichiometric oxygen content are investigated in a wide temperature range. It is shown that the charge-ordered insulating (COI) state is observed for a La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 2 sub . sub 9 film with thickness d <= 30 nm, which manifests mainly a cubic crystal structure with an anomalously small lattice parameter for this composition. An increase in the film thickness (d approx 60 nm) leads to a structural transition from the lattice-strained cubic to the relaxed rhombohedral phase, is accompanied by a shift of the Curie point (T sub C) to lower temperature and a frustration of the COI state. The magnetic and transport properties of the La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 2 sub . sub 9 film with d approx 60 nm are similar to those exhibi...

  12. 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.

  13. Sub Luna

    DEFF Research Database (Denmark)

    Rosenløv, Jesper

     Afhandlingen, Sub luna- kosmologier, religion og videnskab i antikken, undersøger de antikke forestillinger om naturens og universets indretning samt menneskets placering i verden således som dette kommer til udtryk i de kosmologiske teorier, der formuleredes i den antikke videnskabelige eller...

  14. Explaining R{sub D}{sup {sub (}{sub *}{sub )}} with leptoquarks and flavor symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Schoenwald, Kay [TU Dortmund (Germany)

    2016-07-01

    Recently LHCb confirmed the anomalies in R{sub D}{sup {sub (}{sub *}{sub )}} previously measured by BaBar and Belle. We use flavor symmetries capable of explaining the observed mixing in the quark and lepton sector to constrain leptoquark couplings and study whether this models can explain the anomalies in R{sub D}{sup {sub (}{sub *}{sub )}}.

  15. Effects of hole doping on the electronic transport properties of PrBa sub 1 sub . sub 8 Sr sub 0 sub . sub 2 Cu sub 3 O sub y and PrSr sub 2 Cu sub 2 sub . sub 7 Mo sub 0 sub . sub 3 O sub y

    CERN Document Server

    Yang, C F; Zhang, H

    2002-01-01

    We investigate the effect of Ca doping on the electronic transport properties and superconductivity of Pr sub 1 sub - sub x Ca sub x Ba sub 1 sub . sub 8 Sr sub 0 sub . sub 2 Cu sub 3 O sub y and Pr sub 1 sub - sub x Ca sub x Sr sub 2 Cu sub 2 sub . sub 7 Mo sub 0 sub . sub 3 O sub y systems. It is found that when PrBa sub 2 Cu sub 3 O sub y (Pr123) is in a highly localized state, the Ca doping mainly decreases the 4f-2p hybridized states and thus releases the holes into the CuO sub 2 planes. Whereas when Pr123 is in a less localized state, the Ca doping not only introduces holes into the CuO sub 2 planes, but also induces dramatic charge transfer. Our results suggest that only when the hole concentration in both the CuO chain and the CuO sub 2 planes reaches a proper value, can the superconductivity be restored in the Pr123 system.

  16. Microstructure study of the rare-earth intermetallic compounds R<sub>5sub>(SixGe>1-xsub>)>4sub> and R<sub>5sub>(SixGe>1-xsub>)>3sub>

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-01-01

    The unique combination of magnetic properties and structural transitions exhibited by many members of the R<sub>5sub>(SixGe>1-xsub>)>4sub> family (R = rare earths, 0 ≤ x ≤ 1) presents numerous opportunities for these materials in advanced energy transformation applications. Past research has proven that the crystal structure and magnetic ordering of the R<sub>5sub>(SixGe>1-xsub>)>4sub> compounds can be altered by temperature, magnetic field, pressure and the Si/Ge ratio. Results of this thesis study on the crystal structure of the Er<sub>5sub>Si>4sub> compound have for the first time shown that the application of mechanical forces (i.e. shear stress introduced during the mechanical grinding) can also result in a structural transition from Gd<sub>5sub>Si>4sub>-type orthorhombic to Gd<sub>5sub>Si>2sub>Ge>2sub>-type monoclinic. This structural transition is reversible, moving in the opposite direction when the material is subjected to low-temperature annealing at 500 °C.

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

    CERN Document Server

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

    2002-01-01

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

  18. 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)

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

    CERN Document Server

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

    1999-01-01

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

  20. Crystallization of Zr<sub>2sub>PdxCu>1-xsub> and Zr<sub>2sub>NixCu>1-xsub> Metallic Glass

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-01-01

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

  1. Phase diagram and EXAFS study of La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 sub - sub x Ba sub x MnO sub 3 manganites

    CERN Document Server

    Ulyanov, A N; Yang, D S

    2003-01-01

    The phase diagram and local structure of La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 sub - sub x Ba sub x MnO sub 3 (x=0; 0.03; 0.06; ... 0.3) lanthanum manganites were studies. The Curie temperature, T sub c , of the compositions showed a sharp change near the concentrational structural orthorhombic-rhombohedral phase transition. Maximums of dispersion, sigma sub M sub n sub - sub O sup 2 , and asymmetry, sigma M sub n sub - sub O sup 3 , of pair distribution function for the Mn-O bond distances of MnO sub 6 octahedron on x-dependence were observed by extended X-ray absorption fine structure (EXAFS) analysis. The maximum of sigma sub M sub n sub - sub O sup 2 is caused by increase of dynamic rms displacements of Mn-O bond distances near the T sub c. The observed x dependence of sigma sub M sub n sub - sub O sup 3 reflects the reduction of charge carriers mobility at approaching to T sub c. (author)

  2. Oxygen diffusion in Y sub 1 sub - sub x Pr sub x Ba sub 2 Cu sub 3 O sub 7 sub - subdelta observed by resistivity measurements

    CERN Document Server

    Diosa, J E; Mellander, B E

    1997-01-01

    In situ resistivity measurements have been used to monitor the oxygen uptake and removal for the ceramic system Y sub 1 sub - sub x Pr sub x Ba sub 2 Cu sub 3 O sub 7 sub - subdelta (YPBCO) in the temperature range 300 - 1000 K. The study of the out-diffusion of oxygen was performed by annealing the oxygenated samples in ambient air at constant heating rates. We found that, independently of x, the oxygen concentration O sub 7 sub - subdelta is preserved up to 600 K, and that oxygen diffuses out of the oxides at temperatures higher than 600 K. However, the rate of oxygen removal from PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta (PBCO) is greatly reduced as compared to the rate for pure YBa sub 2 Cu sub 3 O sub 7 sub - subdelta (YBCO), and decreases with increasing x in YPBCO. The study of the in-diffusion of oxygen was performed by annealing the deoxygenated samples in ambient air at constant heating rates. We found that, independently of x, the oxygen uptake takes place in the temperature range 550 - 750 K, whe...

  3. Cation composition and oxygen content dependence of crystal structure and T sub c for Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 sub + sub z O sub y

    CERN Document Server

    Idemoto, Y; Koura, N; Kamiyama, T; Oikawa, K; Izumi, F

    2003-01-01

    Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 sub + sub z O sub y (Tl-2223 system) superconducting oxides with various Tl contents and Cu contents were prepared. We investigated the relation between crystal structure and superconducting property dependence of Tl and Cu content. First, we obtained an almost single-phase material at a Tl content 2-x = 1.7 and the Tl-2223 phase remained the main phase in the region of 2 - x >= 0.631 of Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 O sub y. T sub c was about 120 K for the Tl-2223 in a wide range of 0.631 <= 2 - x <= 1.761. Second, we obtained a single-phase at 2 - x = 1.777 and Cu content 3 + z = 3.284 of Tl sub 2 sub - sub x Ba sub 2 Ca sub 2 Cu sub 3 sub + sub z O sub y. The T sub c (zero) dependence of Cu/Tl ratio, showed a maximum value of 122 K at Cu/Tl ratio = 2.026. Based on results of crystal structure refinements by powder neutron diffraction, it was found that the change in bond length and angle dependence of average Cu valence were similar fo...

  4. Electronic phase separation in the rare-earth manganates (La sub 1 sub - sub x Ln sub x) sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 3 (Ln = Nd, Gd and Y)

    CERN Document Server

    Sudheendra, L

    2003-01-01

    Electron transport and magnetic properties of three series of manganates of the formula (La sub 1 sub - sub x Ln sub x) sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 3 with Ln = Nd, Gd and Y, wherein only the average A-site cation radius (r sub A ) and associated disorder vary, without affecting the Mn sup 4 sup + /Mn sup 3 sup + ratio, have been investigated in an effort to understand the nature of phase separation. All three series of manganates show saturation magnetization characteristic of ferromagnetism, with the ferromagnetic T sub c decreasing with increasing x up to a critical value of x, x sub c (x sub c = 0.6, 0.3, 0.2 respectively for Nd, Gd, Y). For x > x sub c , the magnetic moments are considerably smaller, showing a small increase around T sub M , the value of T sub M decreasing slightly with increase in x or decrease in (r sub A ). The ferromagnetic compositions (x x sub c are insulating. The magnetic and electrical resistivity behaviour of these manganates is consistent with the occurrence...

  5. Structural and Magnetothermal Properties of Compounds: Yb<sub>5sub>SixGe>4-xsub>,Sm>5sub>SixGe>4-xsub>, EuO, and Eu<sub>3sub>O>4sub>

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-08-16

    Two-dimensional (2D) hybrid halide perovskites come as a family (B)<sub>2sub>(A)>n-1sub>PbnX>3n+1sub> (B and A= cations; X= halide). These perovskites are promising semiconductors for solar cells and optoelectronic applications. Among the fascinating properties of these materials is white-light emission, which has been mostly observed in single-layered 2D lead bromide or chloride systems (n = 1), where the broad emission comes from the transient photoexcited states generated by self-trapped excitons (STEs) from structural distortion. Here we report a multilayered 2D perovskite (n = 3) exhibiting a tunable white-light emission. Ethylammonium (EA+) can stabilize the 2D perovskite structure in EA<sub>4sub>Pb>3sub>Br>10–xsub>Clx> (x = 0, 2, 4, 6, 8, 9.5, and 10) with EA+ being both the A and B cations in this system. Because of the larger size of EA, these materials show a high distortion level in their inorganic structures, with EA4Pb3Cl10 having a much larger distortion than that of EA<sub>4sub>Pb>3sub>Br>10sub>, which results in broadband white-light emission of EA<sub>4sub>Pb>3sub>Cl>10sub> in contrast to narrow blue emission of EA4Pb3Br10. The average lifetime of the series decreases gradually from the Cl end to the Br end, indicating that the larger distortion also prolongs the lifetime (more STE states). The band gap of EA<sub>4sub>Pb>3sub>Br>10–xsub>Clx> ranges from 3.45 eV (x = 10) to 2.75 eV (x = 0), following Vegard’s law. First-principles density functional theory calculations (DFT) show that both EA<sub>4sub>Pb>3sub>Cl>10sub> and EA<sub>4sub>Pb>3sub>Br>10sub> are direct band gap semiconductors. The color rendering index (CRI) of the series improves from 66 (EA<sub>4sub>Pb>3sub>Cl>10sub>) to 83 (EA<sub>4sub>Pb>3sub>Br>0.5sub>Cl>9.5sub>), displaying high tunability and versatility of the

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

    CERN Document Server

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

    2002-01-01

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

  9. Tetragonal and rhombohedral induced polar order from the relaxor state of PbZn sub 1 sub / sub 3 Nb sub 2 sub / sub 3 O sub 3

    CERN Document Server

    Lebon, A; Calvarin, G

    2003-01-01

    Structural and dielectric characterizations of the relaxor ferroelectric PbZn sub 1 sub / sub 3 Nb sub 2 sub / sub 3 O sub 3 (PZN) were carried out on single crystals in the temperature range of the dielectric anomaly (370 K = 1.5 kV cm sup - sup 1. The microscopic origin of these PNRs can be discussed in relation with recent nuclear magnetic resonance and structural results reported in other isomorphous relaxors.

  10. Electron spin resonance study of a La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 3 single crystal

    CERN Document Server

    Joh, K W; Lee, C E; Hur, N H; Ri, H C

    2003-01-01

    Comprehensive measurements of electron spin resonance were carried out on a La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 3 single crystal over a wide temperature range covering the ferromagnetic as well as the paramagnetic phases. Our analysis of the asymmetric lineshapes indicates that the phase segregation of good and poor conducting regions persists far above the ferromagnetic-paramagnetic phase transition temperature.

  11. 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.

  12. Nonlinear acoustic properties of the ternary (La sub 2 O sub 3) sub x (Sm sub 2 O sub 3) sub y (P sub 2 O sub 5) sub (1-x-y) phosphate glasses

    International Nuclear Information System (INIS)

    Senin, H.B.; Sidek, H.A.A.; Saunders, G.A.

    1994-01-01

    From measurements of changes in transit time of 10 MHz of ultrasonic wave as a function of temperature and hydrostatic pressure, the linear and non-linear acoustic properties of the ternary (La sub 2 O sub 3) sub x (Sm sub 2 O sub 3) sub y (P sub 2 O sub 5) sub (1-x-y) glasses with compositions near to that corresponding to the metaphosphate have been determined. For each glass the second order elastic stiffness tensor components C sub ijs (SOEC) continue to increase down to 10K in a manner consistent with phonons interactions with two level systems. Measurements of the effects of hydrostatic pressure on the ultrasonic wave velocities have been used to determine the hydrostatic pressure derivatives (dC sub ij/dP) sub T,P=0 of the SOEC and (dB0 sup s)/dP) sub T,P=0 of the bulk modulus B0 sup s at room temperature (293K). For the ternary (La sub 2 O sub 3) sub x (Sm sub 2 O sub 3) sub y (P sub 2 O sub 5) sub (1-x-y) glasses, (dC sub 11/dP), (dC sub 44/dP), and (dBo/dP), are small but positives; these glasses stiffen under pressure. The elastic behaviour of these ternary glasses lies intermediate between those of (Sm sub 2 O sub 3)(P sub 2 O sub 5) sub (1-x) and (La sub 2 O sub 3) sub y (P sub 2 O sub 5) sub (1-x-y) glasses. Replacement of the Sm sup 3+ by La sup 3+ in the ternary phosphate glasses negates the acoustic mode softening. Possible sources of the different effects of La sub 3+ and Sm sub 3+ modifiers on the nonlinear acoustic properties of metaphosphate glasses are discussed

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

    Energy Technology Data Exchange (ETDEWEB)

    Nalbandyan, V.B.

    2017-05-15

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

  14. Charge/orbital ordering structure in ordered perovskite Sm sub 1 sub / sub 2 Ba sub 1 sub / sub 2 MnO sub 3

    CERN Document Server

    Uchida, M; Akahoshi, D; Kumai, R; Tomioka, Y; Tokura, Y; Arima, T H

    2002-01-01

    In an A-site ordered perovskite manganite Sm sub 1 sub / sub 2 Ba sub 1 sub / sub 2 MnO sub 3 , a new charge/orbital ordering pattern was found at room temperature. Electron diffraction studies revealed a series of superlattice reflections with modulation vectors at q sub 2 =(1/2, 1/2, 1/2) as well as at q sub 1 =(1/4, 1/4, 0) in the tetragonal setting (a sub p x a sub p x 2a sub p , a sub p being the cubic perovskite lattice parameter). Together with the results of the resonant X-ray scattering and the charge-transport and magnetization measurements, a new model for the three-dimensional charge/orbital ordering in the ordered perovskite is proposed. (author)

  15. 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/.

  16. The seeding effect of floating zone growth on Nd sub 1 sub . sub 8 sub 5 Ce sub 0 sub . sub 1 sub 5 CuO sub 4 and Bi sub 2 Sr sub 2 CaCu sub 2 O sub 8 sub - subdelta single crystals

    CERN Document Server

    Lin, C T; Liang, B

    2002-01-01

    Single crystals with the [100] orientation were selected and used as seeds to investigate the effect of travelling solvent floating zone growth on superconducting oxides of Nd sub 1 sub . sub 8 sub 5 Ce sub 0 sub . sub 1 sub 5 CuO sub 4 and Bi sub 2 Sr sub 2 CaCu sub 2 O sub 8 sub - subdelta. The number of nuclei was remarkably reduced and random nuclei could be eased when the seeding was applied during the growth of Nd sub 1 sub . sub 8 sub 5 Ce sub 0 sub . sub 1 sub 5 CuO sub 4 single crystals, compared to the crystals grown without seed. The crystal could preferentially grow on the seed although some additional nuclei occurred at the solid-liquid interface during the initial growth process. In consequence, the crystal ingot obtained is a large single grain having dimensions of 5 mm in diameter and 40 mm in length. The orientation of the seeded growth crystal was found to be 5deg off the [100] seed identified by an x-ray Laue pattern. For the growth of Bi sub 2 Sr sub 2 CaCu sub 2 O sub 8 sub - subdelta, it...

  17. Molecular field analysis for melt-spun amorphous Fe sub 1 sub 0 sub 0 sub - sub x Gd sub x alloys (18<=60)

    CERN Document Server

    Yano, K

    2000-01-01

    The magnetic properties for the melt-spun amorphous Fe sub 1 sub 0 sub 0 sub - sub x Gd sub x alloys were analyzed using the molecular field theory (MFT). A concentration dependence of three exchange interaction constants was derived over a wide concentration range (18=T sub c sub o sub m sub p. Curvature of the Arrott plot in Gd-rich region was qualitatively simulated.

  18. Characterization of Si sub 1 sub - sub x Ge sub x thin films prepared by sputtering

    CERN Document Server

    Noguchi, T

    2000-01-01

    By bombarding solid targets, we deposited Si sub 1 sub - sub x Ge sub x thin films by sputtering without using inflammable CVD (chemical vapor deposition) gases. After the B sup + -implanted Si sub 1 sub - sub x Ge sub x films were thermally annealed, they were characterized. As the content of Ge increased, the refractive index increased and the band edge narrowed. The higher the annealing temperature, the lower the resistivity. For Si sub 1 sub - sub x Ge sub x films with a high Ge content (X approx 0.5), the flat-band voltage of the gate deduced from C-V curve was adjusted to the middle point between p sup + and n sup + polySi gates. Boron-doped SiGe films are promising gate materials for MOS (metal oxide semiconductor) and SOI (silicon on insulator) transistors driven at low driving voltage.

  19. Quasi-homoepitaxial growth of a-axis oriented PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta thick film on (100) YBa sub 2 Cu sub 3 O sub 7 sub - subdelta single crystal

    CERN Document Server

    Sato, M; Morishita, T

    2003-01-01

    The structural characterizations of the quasi-homoepitaxial growth of a-axis oriented PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta thick film grown on (100) YBa sub 2 Cu sub 3 O sub 7 sub - subdelta single crystal were investigated in comparison with those of the film grown on (001) YBa sub 2 Cu sub 3 O sub 7 sub - subdelta single crystal. The a-axis oriented PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta films, expected to be a barrier layer, were prepared using a dc-95 MHz hybrid plasma sputtering on (100) and (001) YBa sub 2 Cu sub 3 O sub 7 sub - subdelta single crystals that are superconducting ground planes. The atomic force microscopy image revealed that the surfaces of 700-nm-thick a-axis PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta films on (100) YBa sub 2 Cu sub 3 O sub 7 sub - subdelta single crystals were smooth with a mean roughness of 2.8 nm. X-ray diffraction scans showed that a-axis PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta films deposited on (100) YBa sub 2 Cu sub 3 O sub 7 sub - subdelta single cry...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

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

  1. 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)

  2. Critical Behavior of Thermal Expansion and Magnetostriction in the Vicinity of the First order transition at the Curie Point of Gd<sub>5sub>(SixGe>1-xsub>)>4sub>

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-01-01

    Thermal expansion (TE) and magnetostriction (MS) measurements have been conducted for Gd<sub>5sub>(SixGe>1-xsub>)>4sub> with a series of x values to study its critical behavior in the vicinity of transition temperatures. It was found that the Curie temperature of Gd<sub>5sub>(SixGe>1-xsub>)>4sub> for x 0 ~ 0.5 is dependent on magnetic field, direction of change of temperature (Tc on cooling was lower than Tc on heating), purity of Gd starting material, compositions, material preparation methods, and also can be triggered by the external magnetic field with a different dT/dB rate for different x values. For Gd<sub>5sub>(Si>1.95sub>Ge>2.05sub>), Gd<sub>5sub>(Si>2sub>Ge>2sub>), Gd<sub>5sub>(Si>2.09sub>Ge>1.91sub>), it was also found that the transition is a first order magneto-structural transition, which means the magnetic transition and crystalline structure transition occur simultaneously, and completely reversible. Temperature hysteresis and phase coexistence have been found to confirm that it is a first order transformation. While for Gd<sub>5sub>(Si>0.15sub>Ge>3.85sub>), it is partially reversible at some temperature range between the antiferromagnetic and the ferromagnetic state. For Gd<sub>5sub>(Si>2.3sub>Ge>1.7sub>) and Gd<sub>5sub>(Si>3sub>Ge>1sub>), it was a second order transformation between the paramagnetic and ferromagnetic state, because no ΔT have been found. Giant magnetostriction was only found on Gd<sub>5sub>(Si>1.95sub>Ge>2.05sub>), Gd<sub>5sub>(Si>2sub>Ge>2sub>), Gd<sub>5sub>(Si>2.09sub>Ge>1.91sub>) in their vicinity of first order transformation. MFM images have also been taken on polycrystal sample Gd<sub>5sub>(Si>2.09sub>Ge>1.91sub>) to investigate the transformation process. The results also indicates that the Curie temperature was lower and the thermally

  3. The Pr sub 0 sub . sub 5 Ca sub 0 sub . sub 5 Mn sub 1 sub - sub x Cr sub x O sub 3 series (0 <= x <= 0.5): evidence of steps in the magnetic and transport properties for a narrow composition range

    CERN Document Server

    Pi, L; Yaicle, C; Martin, C; Maignan, A; Raveau, B

    2003-01-01

    The Pr sub 0 sub . sub 5 Ca sub 0 sub . sub 5 Mn sub 1 sub - sub x Cr sub x O sub 3 series has been investigated up to x = 0.5. For low doping content (x 0.04-0.06, is completely different from the low-x side.

  4. Evidence of spin transition and charge order in cobalt substituted La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 MnO sub 3

    CERN Document Server

    Srivastava, C M; Gundurao, T K; Nigam, A K; Bahadur, D

    2003-01-01

    The transport and magnetic studies of a series of compounds having the general formula La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 Mn sub 1 sub - sub x Co sub x O sub 3 (0.1 = 0.25 there is a clear spin transition at low temperature from the high to the low spin state of trivalent cobalt and this leads to change in ferromagnetic (FM) and antiferromagnetic (AFM) phases. For x >= 0.25 there are two transitions for each value of x: the upper one gives the FM and AFM spin arrangement depending upon whether the DE or the SE dominates; the lower one is obtained due to the transition from the high to the low spin state of the trivalent cobalt ion.

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

    CERN Document Server

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

    2001-01-01

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

  6. Effect of pelletization pressure on structural properties and critical current hysteresis of ceramic superconducting Bi sub 1 sub . sub 7 Pb sub 0 sub . sub 3 Sr sub 2 Ca sub 2 Cu sub 3 O sub y

    CERN Document Server

    Tepe, M; Abukay, D

    2003-01-01

    The effect of pelletization pressures on structural properties and critical current hysteresis of Bi sub 1 sub . sub 7 Pb sub 0 sub . sub 3 Sr sub 2 Ca sub 2 Cu sub 3 O sub y samples was investigated. The samples used in this study were prepared by classical solid-state reaction at the pressures from 100 up to 500 MPa. The obtained samples were characterized by resistance vs. temperature, (R-T), critical current density vs. applied magnetic field, (J sub c -H), material density vs. pressure, (rho-P), XRD, SEM, and EDAX. The results of this study showed that the quality of electrical and structural properties of Bi-2223 bulk superconductors strongly depends on the pelletization pressure. Pressing of bulk samples at 400 MPa produces textured grain alignment and associates microstructural modifications in order to enhance flux pinning and thus increases current carrying capacities. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  7. Chemistry through cocrystals: pressure-induced polymerization of C<sub>2sub>H>2sub>·C>6sub>H>6sub> to an extended crystalline hydrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Ward, Matthew D. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Huang, Haw-Tyng [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Zhu, Li [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Biswas, Arani [Department of Chemistry; Pennsylvania State University; University Park; USA; Popov, Dmitry [High Pressure Collaborative Access Team (HPCAT); Geophysical Laboratory; Carnegie Institution of Washington; Argonne; USA; Badding, John V. [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Department of Chemistry; Strobel, Timothy A. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA

    2018-01-01

    The 1 : 1 acetylene–benzene cocrystal, C<sub>2sub>H>2sub>·C>6sub>H>6sub>, was synthesized under pressure in a diamond anvil cell (DAC) and its evolution under pressure was studied with single-crystal X-ray diffraction and Raman spectroscopy.

  8. Chemistry through cocrystals: pressure-induced polymerization of C<sub>2sub>H>2sub>·C <sub>6sub>H>6sub> to an extended crystalline hydrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Ward, Matthew D. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Huang, Haw-Tyng [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Zhu, Li [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Biswas, Arani [Department of Chemistry; Pennsylvania State University; University Park; USA; Popov, Dmitry [High Pressure Collaborative Access Team (HPCAT); Geophysical Laboratory; Carnegie Institution of Washington; Argonne; USA; Badding, John V. [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Department of Chemistry; Strobel, Timothy A. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA

    2018-01-01

    The 1:1 acetylene–benzene cocrystal, C<sub>2sub>H>2sub>·C>6sub>H>6sub>, was synthesized under pressure in a diamond anvil cell (DAC) and its evolution under pressure was studied with single-crystal X-ray diffraction and Raman spectroscopy.

  9. Cubic-tetragonal phase transition in Ca sub 0 sub . sub 0 sub 4 Sr sub 0 sub . sub 9 sub 6 TiO sub 3 a combined specific heat and neutron diffraction study

    CERN Document Server

    Gallardo, M C; Romero, F J; Cerro, J D; Seifert, F; Redfern, S A T

    2003-01-01

    The specific heat corresponding to the tetragonal-to-cubic transition in Ca sub 0 sub . sub 0 sub 4 Sr sub 0 sub . sub 9 sub 6 TiO sub 3 perovskite has been measured by conduction calorimetry. The order parameter of the transition has been obtained by means of neutron diffraction at low temperatures. Comparison of calorimetric data with the evolution of the order parameter indicates that this transition seems to follow a mean field Landau potential as in SrTiO sub 3. The linear behaviour of the excess of entropy versus temperature suggests that a 2-4 Landau potential is sufficient to describe the transition.

  10. Facile synthesis of Z-scheme graphitic-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} nanocomposite for enhanced visible photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Jiali [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Dai, Kai, E-mail: daikai940@chnu.edu.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Zhang, Jinfeng; Geng, Lei [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Liang, Changhao, E-mail: chliang@issp.ac.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031 (China); Liu, Qiangchun; Zhu, Guangping; Chen, Chen [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China)

    2015-12-15

    Graphical abstract: - Highlights: • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} nanocomposite photocatalyst was prepared. • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} as a typical Z-scheme photocatalyst was proved. • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} showed long reusable life with irradiation of LED light. - Abstract: The band engineering of visible-light-driven photocatalysts is a promising route for harnessing of effective solar energy to perform high chemical reactions and to treat environmental pollution. In this study, two narrow band gap semiconductor nanomaterials, graphitic carbon nitride (g-C{sub 3}N{sub 4}) and Bi{sub 2}MoO{sub 6}, were selected and coupled to form series of g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts. Their structure, light absorption wavelength range, charge transport properties and energy level were investigated. Through perfect manipulation of their composition, enhanced photocatalytic activity of the Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts with efficient reduction of recombination of photogenerated electrons and holes was achieved. The optimized Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts with 25 wt%g-C{sub 3}N{sub 4} showed apparent pseudo-first-order rate constant k{sub app} as high as 0.0688 min{sup −1}, which was 4.8 times and 8.2 times higher than that of g-C{sub 3}N{sub 4} and Bi{sub 2}MoO{sub 6} photocatalyst, respectively.

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

    CERN Document Server

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

    1997-01-01

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

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

    CERN Document Server

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

    2002-01-01

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

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

    CERN Document Server

    Giovannelli, F; Monot-Laffez, I

    2003-01-01

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

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

    CERN Document Server

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

    2003-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-08-18

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

  16. Structural study of U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 at high pressure

    CERN Document Server

    Sikolenko, V V; Pomjakushina, E V; Pomjakushin, V Y; Balagurov, A M; Keller, L; Glazkov, V P; Gribanov, A V; Goncharenko, I N; Savenko, B N

    2003-01-01

    The crystal structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with Fe content x = 0- 0.03 and the crystal and magnetic structure of U(Pd sub 0 sub . sub 9 sub 8 Fe sub 0 sub . sub 0 sub 2) sub 2 Ge sub 2 at high external pressures up to 4.5 GPa were studied by means of powder neutron diffraction in the temperature range 1.5-300 K. With increasing Fe content the values of the lattice parameters and interatomic distances change only slightly, but it is known from previous experiments that the magnetic structure changes drastically for x >= 0.015. In contrast to this, high external pressure modifies the crystal structure more significantly while the magnetic structure remains unchanged. The results obtained allow one to infer that drastic changes in the magnetic structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with increasing Fe content are a consequence of modification of the RKKY-type (RKKY standing for Ruderman, Kittel, Kasuya and Yosida) indirect exchange in...

  17. Experimental Determination of Solubilities of Tri-calcium Di-Citrate Tetrahydrate [Ca<sub>3sub>[C>3sub>H>5sub>O(COO)>3sub>]>2sub>•4H<sub>2sub>O] Earlandite in NaCl and MgCl<sub>2sub> Solutions to High Ionic Strengths and Its Pitzer Model: Applications to Nuclear Waste Isolation and Other Low Temperature Environments

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Yongliang [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Carlsbad Programs Group; Kirkes, Leslie Dawn [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Carlsbad Programs Group; Westfall, Terry [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Carlsbad Programs Group; Marrs, Cassandra [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Carlsbad Programs Group; Knox, Jandi [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Carlsbad Programs Group; Burton, Heather Lynn [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Carlsbad Programs Group

    2017-09-01

    In this study, solubility measurements on tri-calcium di-citrate tetrahydrate [Ca<sub>3sub>[C>3sub>H>5sub>O(COO)>3sub>]2•4H<sub>2sub>O, abbreviated as Ca<sub>3sub>[Citrate]>2sub>•4H<sub>2sub>O] as a function of ionic strength are conducted in NaCl solutions up to I = 5.0 mol•kg–1 and in MgCl<sub>2sub> solutions up to I = 7.5 mol•kg–1, at room temperature (22.5 ± 0.5°C). The solubility constant (log K$0\\atop{sp}$) for Ca<sub>3sub>[Citrate]>2sub>•4H<sub>2sub>O and formation constant (logβ$0\\atop{1}$) for Ca[C<sub>3sub>H>5sub>O(COO)>3sub>]Ca>3sub>[C>3sub>H>5sub>O(COO)>3sub>]>2sub>•4H<sub>2sub>O (earlandite) = 3Ca2+ + 2[C<sub>3sub>H>5sub>O(COO)>3sub>]3– + 4H<sub>2sub>O (1) Ca2+ + [C<sub>3sub>H>5sub>O(COO)>3sub>]3– = Ca[C<sub>3sub>H>5sub>O(COO)>3sub>] (2) are determined as –18.11 ± 0.05 and 4.97 ± 0.05, respectively, based on the Pitzer model with a set of Pitzer parameters describing the specific interactions in NaCl and M<sub>gCl>2sub> media.

  18. Synthesis, crystal and electronic structures and optical properties of (HIm)<sub>2sub> Hg<sub>3sub>Cl>8sub> and (HIm)HgI<sub>3sub> (HIm = imidazolium)

    Energy Technology Data Exchange (ETDEWEB)

    Nhalil, Hariharan [Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry; Whiteside, Vincent R. [Univ. of Oklahoma, Norman, OK (United States). Homer L. Dodge Dept. of Physics & Astronomy; Sellers, Ian R. [Univ. of Oklahoma, Norman, OK (United States). Homer L. Dodge Dept. of Physics & Astronomy; Ming, Wenmei [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Du, Mao-Hua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Saparov, Bayrammurad [Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry

    2017-11-22

    Here, we report synthesis, crystal and electronic structures, and optical properties of two new Hg-based zero-dimensional hybrid organic-inorganic halides (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium). (HIm)<sub>2sub>Hg>3sub>Cl>8sub> crystallizes in the triclinic P-1 space group with a pseudo-layered structure made of organic imidazolium cation layers and anionic inorganic layers containing [Hg<sub>2sub>Cl>6sub>]2- units and linear [HgCl<sub>2sub>]0 molecules. (HIm)HgI<sub>3sub> crystallizes in the monoclinic P2<sub>1sub>/c space group featuring anionic [HgI<sub>3sub>]- units that are surrounded by imidazolium cations. Based on density functional theory calculations, (HIm)<sub>2sub>Hg>3sub>Cl>8sub> has an indirect band gap, whereas (HIm)HgI<sub>3sub> has a direct band gap with the measured onsets of optical absorption at 3.43 and 2.63 eV, respectively. (HIm)<sub>2sub>Hg>3sub>Cl>8sub> and (HIm)HgI<sub>3sub> are broadband light emitters with broad photoluminescence peaks centered at 548 nm (2.26 eV) and 582 nm (2.13 eV), respectively. In conclusion, following the crystal and electronic structure considerations, the PL peaks are assigned to self-trapped excitons.

  19. Features of pseudogap and superconductivity states of YBa sub 2 Cu sub 3 O sub 7 sub - sub x

    CERN Document Server

    Misochko, O V; Dekorsy, T; Helm, M

    2002-01-01

    The relaxation dynamics of the lattice and low-energy quasi-particles of the YBa sub 2 Cu sub 3 O sub 7 sub - sub x superconductor is studied through the light reflection method within the wide temperature range. It is shown that for T > T sub c there exist two areas of temperature with qualitatively and quantitatively different excitation dynamics and the transition between these areas is of the hysteresis character. It is established also, that the character of the change in the relaxation dynamics of the charge carriers in the superconducting state indicates the anisotropic gap with zeroes on the Fermi surface

  20. Fabrication and characterization of Ba sub x Sr sub 1 sub - sub x TiO sub 3 /YBa sub 2 Cu sub 3 O sub x /SrTiO sub 3 structure

    CERN Document Server

    Choi, J; Park, S Y; Lee Jae Sik; No, K; Sung, T H; Park, Y

    2002-01-01

    Ba sub x Sr sub 1 sub - sub x TiO sub 3 (BST)/YBa sub 2 Cu sub 3 O sub x (YBCO)/SrTiO sub 3 (STO) structures were deposited, and the microstructure, orientation and electrical characteristics were investigated. (00l) oriented YBCO thin films were deposited on STO substrates using pulsed laser deposition, and (h00) oriented BST thin films were deposited on YBCO/STO substrates using electron cyclotron resonance (ECR) plasma assisted metal organic chemical vapor deposition (MOCVD). A new phase was formed at the interface between YBCO and BST films and was speculated to be (Ba sub x Y sub 1 sub - sub x)(Ti sub y Y sub 1 sub - sub y)O sub 3. Ba-rich BST films showed a higher dielectric loss than Sr-rich BST films did, which indicates that Sr-rich BST films are more suited for application to microwave devices. The dielectric loss of the films was reduced as temperature decreased, which may be due to the conductivity change of YBCO film and the formation of a conduction path rather than a dielectric property change ...

  1. Magnetic phase transitions in the anion-deficient La sub 1 sub - sub x Ba sub x MnO sub 3 sub - sub x sub / sub 2 (0 <= x <= 0.50) manganites

    CERN Document Server

    Trukhanov, S V; Bushinsky, M V; Troyanchuk, I O; Szymczak, H

    2003-01-01

    The crystal structure, magnetization and electrical resistivity properties of the anion-deficient La sub 1 sub - sub x Ba sub x MnO sub 3 sub - sub x sub / sub 2 (0 = 0.03) being a mixture of antiferromagnetic and ferromagnetic phases. At x >= 0.12 competition between antiferromagnetic and ferromagnetic interactions leads to a cluster spin glass state appearance with a magnetic moment freezing temperature of approx 45 K. The dominant magnetic phase for x >= 0.22 is supposed to be antiferromagnetic. All the reduced samples are semiconductors and show considerable magnetoresistance over a wide temperature range in a magnetically ordered state. The largest magnetoresistance (approx 34% in a 9 kOe field at liquid nitrogen temperatures) is observed for an x = 0.30 sample. The magnetic phase diagram of La sub 1 sub - sub x sup 3 sup + Ba sub x sup 2 sup + Mn sup 3 sup + O sub 3 sub - sub x sub / sub 2 sup 2 sup - manganites has been established by combining the results of magnetic and electrical measurements. The r...

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

    CERN Document Server

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

    2000-01-01

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

  3. 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.

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

    CERN Document Server

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

    1997-01-01

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

  5. Preparation, crystallography, magnetic and magnetothermal properties of Ce<sub>5sub>SixGe>4-xsub> alloys

    Energy Technology Data Exchange (ETDEWEB)

    Vijayaraghavan, Rangarajan [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    An investigation of the crystal structure and the phase relationships in the Ce<sub>5sub>Si>4-xsub>Gex> system has been carried out. The crystal structures of the single phase intermetallics were characterized using X-ray powder diffraction and subsequent refinement employing the Rietveld analysis technique was performed. The intermetallic system was found to crystallize in three distinct crystal structures. The Ce<sub>5sub>Si>4sub>-based solid solution extends from x = 0 to x = 2.15 and it was found to crystallize in the well-known Zr<sub>5sub>Si>4sub>-type tetragonal structure. The germanium rich alloys, where 3.1 ≤} x ≤ 4, crystallized in the Sm<sub>5sub>Ge>4sub>-type orthorhombic structure. The crystal structure of the intermediate phase, when 2.35 ≤ x ≤ 2.8, was found out to be of the Gd<sub>5sub>Si>2sub>Ge>2sub>-type monoclinic structure. Microhardness tests were conducted on the samples in order to probe the trend in mechanical properties in this alloy system as a function of Ge concentration. The magnetic, thermal and magnetocaloric properties of the Ce<sub>5sub>Si>4-xsub>Gex> alloy system have been investigated for x = 0, 1.0, 1.8, 2.5, 2.8, 3.5, 3.8 and 4.0. The phases with x = 0, 1.0 and 1.8 crystallize in the tetragonal Zr<sub>5sub>Si>4sub> structure and those with x = 2.5, 2.8 form in the Gd<sub>5sub>Si>2sub>Ge>2sub>-type monoclinic structure. The alloys with x = 3.5, 3.8 and 4.0 crystallize in the Sm<sub>5sub>Ge>4sub>-type orthorhombic structure. The Curie temperature of the tetragonal phases increases with increasing Ge content. The ordering temperatures of the monoclinic and orthorhombic phases remain nearly unaffected by the composition, with the Curie temperatures of the latter slightly higher than those of the former. All the alloys display evidence of antiferromagnetic interactions in the ground state. The orthorhombic and the

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

    CERN Document Server

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

    2003-01-01

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

  7. New rac-XP(O)(OC.sub.6./sub.H.sub.5./sub.)(NHC.sub.6./sub.H.sub.4./sub.-p- CH.sub.3./sub.) [X = N(CH.sub.3./sub.)(cyclo-C.sub.6./sub.H.sub.11./sub.) and NH(C.sub.3./sub.H.sub.5./sub.)] and rac-(C.sub.6./sub.H.sub.5./sub.CH.sub.2./sub.NH)- P(O)(OC.sub.6./sub.H.sub.5./sub.)(NH-cyclo-C.sub.6./sub.H.sub.11./sub.) mixed-amide phosphinates

    Czech Academy of Sciences Publication Activity Database

    Pourayoubi, M.; Ahmadabad, F.K.; Eshtiagh-Hosseini, H.; Kučeráková, Monika; Eigner, Václav; Dušek, Michal

    2013-01-01

    Roč. 69, Part 10 (2013), , 1181-"sub-13" ISSN 0108-2701 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100521 Keywords : crystal structure * racemic mixed- amide phosphinates * P—N bonds * N—H...O P hydrogen bonds Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.535, year: 2013

  8. 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.

  9. Methanesulfonates of high-valent metals. Syntheses and structural features of MoO{sub 2}(CH{sub 3}SO{sub 3}){sub 2}, UO{sub 2}(CH{sub 3}SO{sub 3}){sub 2}, ReO{sub 3}(CH{sub 3}SO{sub 3}), VO(CH{sub 3}SO{sub 3}){sub 2}, and V{sub 2}O{sub 3}(CH{sub 3}SO{sub 3}){sub 4} and their thermal decomposition under N{sub 2} and O{sub 2} atmosphere

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-11-04

    Oxide methanesulfonates of Mo, U, Re, and V have been prepared by reaction of MoO{sub 3}, UO{sub 2}(CH{sub 3}COO){sub 2}.2 H{sub 2}O, Re{sub 2}O{sub 7}(H{sub 2}O){sub 2}, and V{sub 2}O{sub 5} with CH{sub 3}SO{sub 3}H or mixtures thereof with its anhydride. These compounds are the first examples of solvent-free oxide methanesulfonates of these elements. MoO{sub 2}(CH{sub 3}SO{sub 3}){sub 2} (Pbca, a=1487.05(4), b=752.55(2), c=1549.61(5) pm, V=1.73414(9) nm{sup 3}, Z=8) contains [MoO{sub 2}] moieties connected by [CH{sub 3}SO{sub 3}] ions to form layers parallel to (100). UO{sub 2}(CH{sub 3}SO{sub 3}){sub 2} (P2{sub 1}/c, a=1320.4(1), b=1014.41(6), c=1533.7(1) pm, β=112.80(1) {sup circle}, V=1.8937(3) nm{sup 3}, Z=8) consists of linear UO{sub 2}{sup 2+} ions coordinated by five [CH{sub 3}SO{sub 3}] ions, forming a layer structure. VO(CH{sub 3}SO{sub 3}){sub 2} (P2{sub 1}/c, a=1136.5(1), b=869.87(7), c=915.5(1) pm, β=113.66(1) {sup circle}, V=0.8290(2) nm{sup 3}, Z=4) contains [VO] units connected by methanesulfonate anions to form corrugated layers parallel to (100). In ReO{sub 3}(CH{sub 3}SO{sub 3}) (P anti 1, a=574.0(1), b=1279.6(3), c=1641.9(3) pm, α=102.08(2), β=96.11(2), γ=99.04(2) {sup circle}, V=1.1523(4) nm{sup 3}, Z=8) a chain structure exhibiting infinite O-[ReO{sub 2}]-O-[ReO{sub 2}]-O chains is formed. Each [ReO{sub 2}]-O-[ReO{sub 2}] unit is coordinated by two bidentate [CH{sub 3}SO{sub 3}] ions. V{sub 2}O{sub 3}(CH{sub 3}SO{sub 3}){sub 4} (I2/a, a=1645.2(3), b=583.1(1), c=1670.2(3) pm, β=102.58(3), V=1.5637(5) pm{sup 3}, Z=4) adopts a chain structure, too, but contains discrete [VO]-O-[VO] moieties, each coordinated by two bidentate [CH{sub 3}SO{sub 3}] ligands. Additional methanesulfonate ions connect the [V{sub 2}O{sub 3}] groups along [001]. Thermal decomposition of the compounds was monitored under N{sub 2} and O{sub 2} atmosphere by thermogravimetric/differential thermal analysis and XRD measurements. Under N{sub 2} the decomposition proceeds

  10. 3081//sub E/ processor

    International Nuclear Information System (INIS)

    Kunz, P.F.; Gravina, M.; Oxoby, G.; Trang, Q.; Fucci, A.; Jacobs, D.; Martin, B.; Storr, K.

    1983-03-01

    Since the introduction of the 168//sub E/, emulating processors have been successful over an amazingly wide range of applications. This paper will describe a second generation processor, the 3081//sub E/. This new processor, which is being developed as a collaboration between SLAC and CERN, goes beyond just fixing the obvious faults of the 168//sub E/. Not only will the 3081//sub E/ have much more memory space, incorporate many more IBM instructions, and have much more memory space, incorporate many more IBM instructions, and have full double precision floating point arithmetic, but it will also have faster execution times and be much simpler to build, debug, and maintain. The simple interface and reasonable cost of the 168//sub E/ will be maintained for the 3081//sub E/

  11. Pressure-induced instability of magnetic order in Kondo-lattice system. Neutron diffraction study of the pseudo-binary alloy system Ce(Ru sub 0 sub . sub 9 sub 0 Rh sub 0 sub . sub 1 sub 0) sub 2 (Si sub 1 sub - sub y Ge sub y) sub 2

    CERN Document Server

    Watanabe, K; Kanadani, C; Taniguchi, T; Kawarazaki, S; Uwatoko, Y; Kadowaki, H

    2003-01-01

    Neutron diffraction experiments have been carried out to study the nature of the magnetic order of the pseudo-binary alloy system Ce(Ru sub 0 sub . sub 9 sub 0 Rh sub 0 sub . sub 1 sub 0) sub 2 (Si sub 1 sub - sub y Ge sub y) sub 2. Response of the ordered atomic magnetic moment, mu, the transition temperature, T sub N , and the magnitude of the magnetic modulation vector, q, to the chemical pressure and also to the applied hydrostatic pressure, P, were examined at low temperatures. When y changes, all of mu, T sub N and q show a sudden alteration of the manner of the y-dependence at around y - 0.08. The P-dependence of q shows quite different features for different y's of 0.0, 0.2 and 0.25. On the basis of these observations the possibility of a pressure-induced alternation of the magnetic regime of the order is discussed. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-07-01

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

  13. Room Temperature Radiolytic Synthesized Cu@CuAlO<sub>2sub>-Al>2sub>O>3sub> Nanoparticles

    Directory of Open Access Journals (Sweden)

    Nayereh Soltani

    2012-09-01

    Full Text Available Colloidal Cu@CuAlO<sub>2sub>-Al>2sub>O>3sub> bimetallic nanoparticles were prepared by a gamma irradiation method in an aqueous system in the presence of polyvinyl pyrrolidone (PVP and isopropanol respectively as a colloidal stabilizer and scavenger of hydrogen and hydroxyl radicals. The gamma irradiation was carried out in a 60Co gamma source chamber with different doses up to 120 kGy. The formation of Cu@CuAlO<sub>2sub>-Al>2sub>O>3sub> nanoparticles was observed initially by the change in color of the colloidal samples from colorless to brown. Fourier transform infrared spectroscopy (FTIR confirmed the presence of bonds between polymer chains and the metal surface at all radiation doses. Results of transmission electron microscopy (TEM, energy dispersive X-ray spectrometry (EDX, and X-ray diffraction (XRD showed that Cu@CuAlO<sub>2sub>-Al>2sub>O>3sub> nanoparticles are in a core-shell structure. By controlling the absorbed dose and precursor concentration, nanoclusters with different particle sizes were obtained. The average particle diameter increased with increased precursor concentration and decreased with increased dose. This is due to the competition between nucleation, growth, and aggregation processes in the formation of nanoclusters during irradiation.

  14. Measuring CO <sub>2sub> and N <sub>2sub> O Mass Transfer into GAP-1 CO <sub>2sub> –Capture Solvents at Varied Water Loadings

    Energy Technology Data Exchange (ETDEWEB)

    Whyatt, Greg A.; Zwoster, Andy; Zheng, Feng; Perry, Robert J.; Wood, Benjamin R.; Spiry, Irina; Freeman, Charles J.; Heldebrant, David J.

    2017-04-12

    This paper investigates the CO<sub>2sub> and N<sub>2sub> O absorption behavior in the water-lean gamma amino propyl (GAP)-1/TEG solvent system using a wetted-wall contactor. Testing was performed on a blend of GAP-1 aminosilicone in triethylene glycol at varied water loadings in the solvent. Measurements were made with CO<sub>2sub> and N<sub>2sub> O at representative lean (0.04 mol CO<sub>2sub>/mol alkalinity), middle (0.13 mol CO<sub>2sub> /mol alkalinity) and rich (0.46 mol CO<sub>2sub> /mol alkalinity) solvent loadings at 0, 5, 10 and 15 wt% water loadings at 40, 60 and 80C° and N<sub>2sub> O at (0.08-0.09 mol CO<sub>2sub> /mol alkalinity) at 5 wt% water at 40, 60 and 80C°. CO<sub>2sub> flux was found to be non-linear with respect to log mean pressure driving force (LMPD). Liquid-film mass transfer coefficients (k'g) were calculated by subtracting the gas film resistance (determined from a correlation from literature) from the overall mass transfer measurement. The resulting k'g values for CO<sub>2sub> and N<sub>2sub> O in GAP-1/TEG mixtures were found to be higher than that of 5M aqueous monoethanolamine under comparable driving force albeit at higher solvent viscosities. The k'g values for CO<sub>2sub> were also found to decrease with increasing solvent water content and increase with a decrease in temperature. These observations indicate that mass transfer of CO<sub>2sub> in GAP-1/TEG is linked to the physical solubility of CO<sub>2sub> , which is higher in organic solvents compared to water. This paper expands on the understanding of the unique mass transfer behavior and kinetics of CO<sub>2sub> capture in water-lean solvents.

  15. The Nature of the Distinctive Microscopic Features in R<sub>5sub>(SixGe>1-xsub>)>4sub> Magnetic Refrigeration Materials

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

    Magnetic refrigeration is a promising technology that offers a potential for high energy efficiency. The giant magnetocaloric effect of the R<sub>5sub>(Six>, Ge<sub>1-xsub>)>4sub> alloys (where R=rare-earth and O ≤ x ≤ 1), which was discovered in 1997, make them perfect candidates for magnetic refrigeration applications. In this study the microstructures of Gd<sub>5sub>(Six>, Ge<sub>1-xsub>)>4sub> alloys have been characterized using electron microscopy techniques, with the focus being on distinctive linear features first examined in 1999. These linear features have been observed in R<sub>5sub>(Six>, Ge<sub>1-xsub>)>4sub> alloys prepared from different rare-earths (Gd, Tb, Dy and Er) with different crystal structures (Gd<sub>5sub>Si>4sub>-type orthorhombic, monoclinic and Gd<sub>5sub>Ge>4sub>-type orthorhombic). Systematic scanning electron microscope studies revealed that these linear features are actually thin-plates, which grow along specific directions in the matrix material. The crystal structure of the thin-plates has been determined as hexagonal with lattice parameters a=b=8.53 Å and c=6.40 Å using selected area diffraction (SAD). Energy dispersive spectroscopy analysis, carried out in both scanning and transmission electron microscopes, showed that the features have a composition approximating to R<sub>5sub>Six,Ge>1-xsub>)>3sub>.phase. Orientation relationship between the matrix and the thin-plates has been calculated as [- 1010](1-211)<sub>p>//[010](10-2)<sub>m>. The growth direction of the thin plates are calculated as (22 0 19) and (-22 0 19) by applying the Ag approach of Zhang and Purdy to the SAD patterns of this system. High Resolution TEM images of the Gd<sub>5sub>Ge>4sub> were used to study the crystallographic relationship. A terrace-ledge structure was observed at the interface and a 7° rotation of the reciprocal lattices

  16. Structure and crystallization of B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Yin, E-mail: zjbcy@126.co [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China); Xiao Hanning [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China); College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Shuguang Chen; Tang Bingzhong [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China)

    2009-05-01

    B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses with different B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratios of 0.4-1.3 were prepared by the melting-quenching method at 1500-1600 deg. C for 2 h. Fragility index F was used to estimate the glass-forming ability. The infrared (IR) absorption curves and differential scanning calorimetry (DSC) curves of the glasses have been investigated for estimating the influence of the B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratio on glass structure and crystallization of the B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glass system. The crystallization kinetics of the glasses were described by activation energy (E) for crystallization and calculated by the Kissinger method. X-ray diffraction (XRD) and SEM analyses were also used to describe the types and morphologies of the crystals precipitated from the B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses. The results show that with the increase of B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratio, glass stability improves and the trend of crystallization decreases relatively. However, when the B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratio reaches 1.3, boron-abnormal phenomenon appears and results in the raising trend of crystallization. Rod-like crystals of Al{sub 4}B{sub 2}O{sub 9} and Al{sub 20}B{sub 4}O{sub 36} were observed in the crystallized samples.

  17. Suppressed oxygen extraction and degradation of LiNi<sub>xsub>Mn<sub>yCozO>2sub> cathodes at high charge cut-off voltages

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jianming; Yan, Pengfei; Zhang, Jiandong; Engelhard, Mark H.; Zhu, Zihua; Polzin, Bryant J.; Trask, Steve; Xiao, Jie; Wang, Chongmin; Zhang, Jiguang

    2017-09-01

    The capacity degradation mechanism in lithium nickel–manganese–cobalt oxide (NMC) cathodes (LiNi<sub>1/3sub>Mn>1/3sub>Co>1/3sub>O>2sub> (NMC<sub>333sub>) and LiNi<sub>0.4sub>Mn>0.4sub>Co>0.2sub>O>2sub> (NMC<sub>442sub>)) during high-voltage (cut-off of 4.8 V) operation has been investigated. In contrast to NMC<sub>442sub>, NMC<sub>333sub> exhibits rapid structural changes including severe micro-crack formation and phase transformation from a layered to a disordered rock-salt structure, as well as interfacial degradation during high-voltage cycling, leading to a rapid increase of the electrode resistance and fast capacity decline. The fundamental reason behind the poor structural and interfacial stability of NMC<sub>333sub> was found to be correlated to its high Co content and the significant overlap between the Co3+/4+ t<sub>2gsub> and O2- 2p bands, resulting in oxygen removal and consequent structural changes at high voltages. In addition, oxidation of the electrolyte solvents by the extracted oxygen species generates acidic species, which then attack the electrode surface and form highly resistive LiF. These findings highlight that both the structural and interfacial stability should be taken into account when tailoring cathode materials for high voltage battery systems.

  18. Unveiling the Structural Evolution of Ag<sub>1.2sub>Mn>8sub>O>16sub> under Coulombically Controlled (De)Lithiation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Jianping [Department; Hu, Xiaobing [Energy; Brady, Alexander B. [Department; Wu, Lijun [Energy; Zhu, Yimei [Energy; Takeuchi, Esther S. [Department; Energy; Department; Marschilok, Amy C. [Department; Department; Takeuchi, Kenneth J. [Department; Department

    2018-01-02

    MnO<sub>2sub> materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesium batteries due to their earth abundance and environmental friendliness. One polymorph of MnO<sub>2sub>, α-MnO<sub>2sub>, has 2 × 2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver-ion-containing α-MnO<sub>2sub> (Ag<sub>1.2sub>Mn>8sub>O>16sub>) is examined as a candidate cathode material for Li based batteries. Electrochemical stability of Ag<sub>1.2sub>Mn>8sub>O>16sub> is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almost constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7%) and atomic distances (~4.8%) are observed when x in Li<sub>xAg>1.2sub>Mn>8sub>O>16sub> is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn–O framework. In contrast, lattice a only expands by 2.2% and Mn–O/Mn-Mn distances show minor changes (~1.4%) at x < 2. The structural deformation (tunnel breakage) at x > 4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag0, and long-term cycle stability for this silver-containing α-MnO<sub>2sub> type material at both low and high lithiation levels.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1975-11-01

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

  20. Microscopic theory of magnetization processes in Y (Co sub 1 sub - sub x Al sub x) sub 2

    CERN Document Server

    Khmelevskyi, S; Mohn, P

    2002-01-01

    Employing ab initio electronic structure calculations we study the development of the magnetic properties in Y (Co sub 1 sub - sub x Al sub x) sub 2 for varying Al concentration. The effect of substitutional disorder is treated in the coherent-potential approximation implemented within a tight-binding linear muffin-tin orbital method. The experimentally observed reduction of the critical field of the itinerant electron metamagnetic phase transition with increasing content of non-magnetic Al is explained. It is shown, on the basis of a T = 0 K Stoner type itinerant magnetism theory, that the alloying-induced changes in the shape of the calculated density of states, caused by the Al substitution, lead to (i) a stabilization of the magnetic state, (ii) a smoothening of the first-order metamagnetic transition and (iii) a subsequent suppression of the metamagnetic transition around x 0.15. Analysing the magnetization processes in Y (Co sub 1 sub - sub x Al sub x) sub 2 by varying the strength of the exchange inter...

  1. 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.

  2. Low field magnetoresistance effects in fine particles of La sub 0 sub . sub 6 sub 7 Ca sub 0 sub . sub 3 sub 3 MnO sub 3 perovskites

    CERN Document Server

    Rivas, J; Fondado, A; Rivadulla, F; López-Quintela, M A

    2000-01-01

    In this work magnetic and magnetotransport experimental data in well-characterized small particles of La sub 0 sub . sub 6 sub 7 Ca sub 0 sub . sub 3 sub 3 MnO sub 3 are presented. Grain size reduction leads to a larger resistivity and a decrease in metal-insulator transition temperature. Intrinsic colossal magnetoresistance (CMR) is destroyed while intergranular one is promoted to larger values. This low field MR can be explained taking into account magnetization data through spin-polarized tunneling model, which ensures an acceptable first-order fit between both magnitudes. Finally, low-temperature resistivity upturn present in small particle size samples can be understood in terms of an electrostatic barrier between grains.

  3. Bi sub 2 Sr sub 2 Ca sub n sub - sub 1 Cu sub n O sub y films sputtered on substrates of Bi sub 2 Sr sub 2 CuO sub y single crystals

    CERN Document Server

    Katsurahara, K; Matsumoto, K; Fujiwara, N; Tanaka, H; Kishida, S

    2003-01-01

    We prepared Bi sub 2 Sr sub 2 CaCu sub 2 O sub y (Bi-2212) films on substrates of Bi sub 2 Sr sub 2 CuO sub y (Bi-2201) single crystals by a rf magnetron sputtering method, where He and O sub 2 mixture sputtering gas and an off-axis geometry were used. The EPMA measurement indicated that the films deposited on the Bi-2201 single crystal had approximately the same composition as those on MgO substrate, which showed a Bi-221 single-phase. The film deposited on the Bi-2201 single crystal post-annealed at 500degC for 0.5h showed a metallic temperature dependent resistance in the normal state and the superconducting transition (T sub c sup o sup n sup s sup e sup t) of about 80 K. Therefore, the Bi-2212 films are considerate to grow on the substrate of the Bi-2201 singe crystal. (author)

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

    CERN Document Server

    Ryu, S O; Lee, W J

    2003-01-01

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

  5. The thermal conductivity of mixed fuel U<sub>xPu>1-xsub>O>2sub>: molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiang-Yang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cooper, Michael William Donald [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-10-16

    Mixed oxides (MOX), in the context of nuclear fuels, are a mixture of the oxides of heavy actinide elements such as uranium, plutonium and thorium. The interest in the UO<sub>2sub>-PuO>2sub> system arises from the fact that these oxides are used both in fast breeder reactors (FBRs) as well as in pressurized water reactors (PWRs). The thermal conductivity of UO<sub>2sub> fuel is an important material property that affects fuel performance since it is the key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. For this reason it is important to understand the thermal conductivity of MOX fuel and how it differs from UO<sub>2sub>. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of mixing on the thermal conductivity of U<sub>xPu>1-xsub>O>2sub>, as a function of PuO<sub>2sub> concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel.

  6. 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)

  7. 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/.

  8. Magnetic properties of Sc{sub x}Ti{sub 1-x}Fe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kessler, M. [Lab. de Cristallographie, CNRS, 38 - Grenoble (France); Deportes, J. [Lab. Louis Neel, CNRS, 38 - Grenoble (France); Ouladdiaf, B. [Institut Laue-Langevin, 38 - Grenoble (France); Sayetat, F. [Lab. de Cristallographie, CNRS, 38 - Grenoble (France)

    1995-02-09

    The magnetic properties and their thermal dependences of Sc{sub 0.1}Ti{sub 0.9}Fe{sub 1.96}, Sc{sub 0.1}Ti{sub 0.9}Fe{sub 2} and Sc{sub 0.1}Ti{sub 0.9}Fe{sub 2.04} are compared with those of TiFe{sub 2}. The substitution changes the iron-iron distances. Consequently, the Fe atoms on the 6h site show in addition to the antiferromagnetic component a small ferromagnetic one, and a weak magnetic moment appears on the 2a site. ((orig.)).

  9. Observation of linear spin wave dispersion in the reentrant spin glass Fe sub 0 sub . sub 7 Al sub 0 sub . sub 3

    CERN Document Server

    Shapiro, S M; Raymond, S; Lee, S H; Motoya, K

    2002-01-01

    Fe sub 0 sub . sub 7 Al sub 0 sub . sub 3 is a reentrant spin glass, which undergoes a transition from a paramagnet to a disordered ferromagnet at T sub c propor to 500 K; at a lower temperature the spins progressively freeze and it exhibits a spin-glass-like behavior. In the ferromagnetic phase spin waves with a q sup 2 dispersion are observed at small q, which broaden rapidly and become diffusive beyond a critical wave vector q sub 0. On cooling the spin waves also disappear and a strong elastic central peak develops. For measurements around the (1,1,1) Bragg peak, a new sharp excitation is observed which has a linear dispersion behavior. It disappears above T sub c , but persists throughout the spin-glass phase. It is not present in the stoichiometric Fe sub 3 Al material. (orig.)

  10. Structural order parameter in the pyrochlore superconductor Cd sub 2 Re sub 2 O sub 7

    CERN Document Server

    Sergienko, I A

    2003-01-01

    It is shown that both structural phase transitions in Cd sub 2 Re sub 2 O sub 7 , which occur at T sub s sub 1 = 200 K and T sub s sub 2 = 120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode. The primary structural order parameter transforms according to the irreducible representation E sub u of the point group O sub h. We argue that the transition at T sub s sub 1 may be of the second order, in accordance with experimental data. We obtain the phase diagram in the space of phenomenological parameters and propose a thermodynamic path that Cd sub 2 Re sub 2 O sub 7 follows upon cooling. Coupling of the itinerant electronic system and localized spin states in pyrochlores and spinels to atomic displacements are discussed. (author)

  11. 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

  12. Scintillation characteristics of nonstoichiometric phases formed in MF sub 2 -GdF sub 3 -CeF sub 3 systems Part III. Dense Gd sub 1 sub - sub x sub - sub y M sub x Ce sub y F sub 3 sub - sub x tysonite-related crystals (M=Ca, Sr)

    CERN Document Server

    Kobayashi, M; Sobolev, B P; Zhmurova, Z I; Krivandina, E A; Nikl, M

    1999-01-01

    We evaluated the scintillation characteristics and the radiation hardness of Gd sub 1 sub - sub x Ca sub x F sub 3 sub - sub x and Gd sub 1 sub - sub x Sr sub x F sub 3 sub - sub x tysonite-type solid solutions (close to 6.6 g/cm sup 3 in density) doped with Ce which were grown from the congruent melt. As the Ce concentration increased, the Ce sup 3 sup + emission at 345 nm increased to a level comparable with the Gd sup 3 sup + emission at 310 nm. Both emissions, however, were slow with the decay constant in the order of ms. The radiation hardness, which was roughly 10 sup 4 rad, tends to degrade as the wavelength decreases and/or the Ce concentration increases. Both spontaneous recovery and UV annealing of the radiation damages were significant. The intensity of the gamma-ray excited luminescence, integrated over time, was as large as 50% of that in BaF sub 2 (12% of that in CdWO sub 4). When the Ce concentration is nil or only small, the yellow-green luminescence for UV excitation was as intense as in CdWO...

  13. Low-field tunnel-type magnetoresistance properties of polycrystalline and epitaxial La sub 0 sub . sub 6 sub 7 Sr sub 0 sub . sub 3 sub 3 MnO sub 3 thin films

    CERN Document Server

    Shim, I B; Choi, S Y

    2000-01-01

    The low-field tunnel-type magnetoresistance (TMB) properties of sol-gel derived polycrystalline and epitaxial La sub 0 sub . sub 6 sub 7 Sr sub 0 sub . sub 3 sub 3 MnO sub 3 (LSMO) thin films were investigated. The polycrystalline thin films were fabricated on Si (100) with a thermally oxidized SiO sub 2 layer while the epitaxial thin films were grown on LaAlO sub 3 (001) single-crystal substrates. The epitaxial thin films displayed both typical intrinsic colossal magnetoresistance (CMR) and abnormal extrinsic tunnel-type magnetoresistance behaviors. Tunnel-type MR ratio as high as 0.4% were observed in the polycrystalline thin films at a field of 120 Oe at room temperature (300 K) whereas the ratios were less than 0.1% for the epitaxial films in the same field range. The low-field tunnel-type MR of polycrystalline LSMO/SiO sub 2 ?Si (100) thin films originated from the behaviors of the grain-boundary properties.

  14. Synthesis and Luminescence Characteristics of Cr3+ doped Y<sub>3sub>Al>5sub>O>12sub> Phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Brenda A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dabestani, Reza T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lewis, Linda A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Thompson, Cyril V. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Collins, Case T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Aytug, Tolga [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-10-01

    Luminescence performance of yttrium aluminum garnet (Y<sub>3sub>Al>5sub>O>12sub>) phosphors as a function of Cr3+ concentration has been investigated via two different wet-chemical synthesis techniques, direct- (DP) and hydrothermal-precipitation (HP). Using either of these methods, the red-emitting phosphor [Y<sub>3sub>Al>5-xsub>CrxO>12sub> (YAG: Cr3+)] showed similar photoluminescence (PL) intensities once the dopant concentration was optimized. Specifically, the YAG: Cr3+ PL emission intensity reached a maximum at Cr3+ concentrations of x = 0.02 (0.4 at.%) and x = 0.13 (2.6 at.%) for DP and HP processed samples, respectively. The results indicated the strong influence of the processing method on the optimized YAG: Cr3+ performance, where a more effective energy transfer rate between a pair of Cr3+ activators at low concentration levels was observed by using the DP synthesis technique. Development of a highly efficient phosphor, using a facile synthesis approach, could significantly benefit consumer and industrial applications by improving the operational efficiency of a wide range of practical devices.

  15. Electronic structures of (Pb sub 2 Cu)Sr sub 2 Eu sub x Ce sub n sub - sub x Cu sub 2 O sub 2 sub n sub + sub 6 (n=2, 3): Effect of fluorite blocks between adjacent CuO sub 2 layers

    CERN Document Server

    Arai, M

    2003-01-01

    The electronic structures of (Pb sub 2 Cu)Sr sub 2 Eu sub x Ce sub n sub - sub x Cu sub 2 O sub 2 sub n sub + sub 6 (n = 2, 3) compounds which have fluorite blocks between two adjacent CuO sub 2 layers have been studied by using ab-initio method. It is found that the anisotropy is enhanced by inserting the fluorite blocks. The Fermi velocity perpendicular to the CuO sub 2 layers decreases as the thickness of fluorite blocks increases. The Eu substitution is found to affect both the atomic positions and electronic structures. The distance between apical oxygen and copper becomes shorter by the Eu substitution. The energy bands derived from oxygens in the fluorite blocks approach Fermi energy as the content of Eu substitution increases. (author)

  16. London penetration depth measurements in Ba (Fe<sub>1-xsub>Tx)>2sub>As>2sub>(T=Co,Ni,Ru,Rh,Pd,Pt,Co+Cu) superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, Ryan T. [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The London penetration depth has been measured in various doping levels of single crystals of Ba(Fe<sub>1-xsub>Tx)>2sub>As>2sub> (T=Co,Ni,Ru,Rh,Pd,Pt,Co+Cu) superconductors by utilizing a tunnel diode resonator (TDR) apparatus. All in-plane penetration depth measurements exhibit a power law temperature dependence of the form Δλ<sub>ab>(T) = CTn, indicating the existence of low-temperature, normal state quasiparticles all the way down to the lowest measured temperature, which was typically 500 mK. Several different doping concentrations from the Ba(Fe<sub>1-xsub>Tx)>2sub>As>2sub> (T=Co,Ni) systems have been measured and the doping dependence of the power law exponent, n, is compared to results from measurements of thermal conductivity and specific heat. In addition, a novel method has been developed to allow for the measurement of the zero temperature value of the in-plane penetration depth, λ<sub>ab>(0), by using TDR frequency shifts. By using this technique, the doping dependence of λ<sub>ab>(0) has been measured in the Ba(Fe<sub>1-xsub>Cox)>2sub>As>2sub> series, which has allowed also for the construction of the doping-dependent superfluid phase stiffness, ρ<sub>s>(T) = [λ(0)/λ(T)]2. By studying the effects of disorder on these superconductors using heavy ion irradiation, it has been determined that the observed power law temperature dependence likely arises from pair-breaking impurity scattering contributions, which is consistent with the proposed s±-wave symmetry of the superconducting gap in the dirty scattering limit. This hypothesis is supported by the measurement of an exponential temperature dependence of the penetration depth in the intrinsically clean LiFeAs, indicative of a nodeless superconducting gap.

  17. Giant Magneto-Resistance in Epitaxial (La<sub>0.7sub>Sr>0.3sub>MnO>3sub>)>0.5sub>: (ZnO)<sub>0.5sub> Nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Wei [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Jiang, Y. X. [Georgia Inst. of Technology, Atlanta, GA (United States); Ihlefeld, Jon [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lu, Ping [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lee, Stephen R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-12-01

    A great deal of research has been carried out in oxide material systems. Among them, ZnO and La<sub>0.7sub>Sr>0.3sub>MnO>3sub> (LSMO) are of particular interest due to their superb optical properties and colossal magneto-resistive effect. Here, we report our recent results of magneto-transport studies in self-assembled, epitaxial (ZnO)0.5:(La<sub>0.7sub>Sr>0.3sub>MnO>3sub>)>0.5sub> nanocomposite films.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-05-01

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

  19. High-pressure behavior of A <sub>2sub> B <sub>2sub> O <sub>7sub> pyrochlore (A=Eu, Dy; B=Ti, Zr)

    Energy Technology Data Exchange (ETDEWEB)

    Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye; Fuentes, Antonio F.; Yan, Jinyuan; Ewing, Rodney C.; Mao, Wendy L.

    2017-01-28

    In situ high-pressure X-ray diffraction and Raman spectroscopy were used to determine the influence of composition on the high-pressure behavior of A<sub>2sub>B>2sub>O>7sub> pyrochlore (A=Eu, Dy; B=Ti, Zr) up to ~50GPa. Based on X-ray diffraction results, all compositions transformed to the high-pressure cotunnite structure. The B-site cation species had a larger effect on the transition pressure than the A-site cation species, with the onset of the phase transformation occurring at ~41 GPa for B=Ti and ~16 GPa B=Zr. However, the A-site cation affected the kinetics of the phase transformation, with the transformation for compositions with the smaller ionic radii, i.e., A=Dy, proceeding faster than those with a larger ionic radii, i.e., A=Eu. These results were consistent with previous work in which the radius-ratio of the A- and B-site cations determined the energetics of disordering, and compositions with more similarly sized A- and B-site cations had a lower defect formation energy. Raman spectra revealed differences in the degree of short-range order of the different compositions. Due to the large phase fraction of cotunnite at high pressure for B=Zr compositions, Raman modes for cotunnite could be observed, with more modes recorded for A=Eu than A=Dy. These additional modes are attributed to increased short-to-medium range ordering in the initially pyrochlore structured Eu<sub>2sub>Zr>2sub>O>7sub> as compared with the initially defect-fluorite structured Dy<sub>2sub>Zr>2sub>O>7sub>.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-01

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

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

    CERN Document Server

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

    2003-01-01

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

  2. Sub specie aeternitatis

    Directory of Open Access Journals (Sweden)

    Laura Gioeni

    2012-10-01

    Full Text Available Per delineare il rapporto tra etica ed estetica nell'architettura e rispondere alla domanda principale «che cosa è o dovrebbe essere un buon architetto?», il saggio discute la tesi di Wittgenstein secondo cui «l'opera d'arte è l'oggetto visto sub specie aeternitatis e la vita buona è il mondo visto sub specie aeternitatis. Questa è la connessione tra arte ed etica».

  3. In{sub 2}O{sub 3}/Bi{sub 2}Sn{sub 2}O{sub 7} heterostructured nanoparticles with enhanced photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Xing, Yonglei [Electronic Materials Research Laboratory, International Center for Dielectric Research, Key Laboratory of the Ministry of Education, School of Electronic and Information Engineering, State Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, Shaanxi (China); Que, Wenxiu, E-mail: wxque@mail.xjtu.edu.cn [Electronic Materials Research Laboratory, International Center for Dielectric Research, Key Laboratory of the Ministry of Education, School of Electronic and Information Engineering, State Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, Shaanxi (China); Yin, Xingtian; He, Zuoli; Liu, Xiaobin; Yang, Yawei; Shao, Jinyou [Electronic Materials Research Laboratory, International Center for Dielectric Research, Key Laboratory of the Ministry of Education, School of Electronic and Information Engineering, State Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, Shaanxi (China); Kong, Ling Bing, E-mail: ELBKong@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, Nanyang Avenue, Singapore 639798 (Singapore)

    2016-11-30

    Highlights: • Visible-light photocatalytic activities of the nanostructured In{sub 2}O{sub 3}/Bi{sub 2}Sn{sub 2}O{sub 7} heterostructures were studied. • Effect of In{sub 2}O{sub 3} content on the photocatalytic activity of the In{sub 2}O{sub 3}/Bi{sub 2}Sn{sub 2}O{sub 7} heterostructure was evaluated. • 0.1In{sub 2}O{sub 3}/Bi{sub 2}Sn{sub 2}O{sub 7} heterostructure photocatalyst shows a superior photocatalytic activity. • Based on Mott-Schottky analysis and active species detection, a mechanism for the separation of photogenerated carriers is proposed. • The effective separation process of the photogenerated electron-hole pairs was testified by photocurrent test. - Abstract: In{sub 2}O{sub 3}/Bi{sub 2}Sn{sub 2}O{sub 7} composite photocatalysts with various contents of cubic In{sub 2}O{sub 3} nanoparticles were fabricated by using impregnation method. A thriving modification of Bi{sub 2}Sn{sub 2}O{sub 7} by an introduction of In{sub 2}O{sub 3} was confirmed by using X-ray diffraction, UV–vis diffuse reflectance spectrometry, transmission electron microscopy, high-resolution transmission electron microscopy and X-ray photoelectron spectroscopy. The samples composed of hybrids of In{sub 2}O{sub 3} and Bi{sub 2}Sn{sub 2}O{sub 7} exhibited a much higher photocatalytic activity for the degradation of Rhodamine B under visible light, as compared with pure In{sub 2}O{sub 3} and Bi{sub 2}Sn{sub 2}O{sub 7} nanoparticles. Optimized composition of the composite photocatalysts was 0.1In{sub 2}O{sub 3}/Bi{sub 2}Sn{sub 2}O{sub 7}, which shows a rate constant higher than those of pure In{sub 2}O{sub 3} and Bi{sub 2}Sn{sub 2}O{sub 7} by 4.06 and 3.21 times, respectively. Based on Mott-Schottky analysis and active species detection, the photoexcited electrons in the conduction band of In{sub 2}O{sub 3} and the holes in the valence band of Bi{sub 2}Sn{sub 2}O{sub 7} participated in reduction and oxidation reactions, respectively. Hence, ·OH, ·O{sub 2}{sup −} and h

  4. Magnetic and transport properties of the (Tb{sub 1-} {sub x} Y {sub x} )Mn{sub 2}Si{sub 2} and TbMn{sub 2}(Si{sub 1-} {sub y} Ge {sub y} ){sub 2} systems

    Energy Technology Data Exchange (ETDEWEB)

    Granovsky, S.A. [Department of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory GSP-2 119992 Moscow (Russian Federation) and TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany)]. E-mail: ser@plms.phys.msu.ru; Gaidukova, I.Yu. [Department of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory GSP-2 119992 Moscow (Russian Federation); Doerr, M. [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Loewenhaupt, M. [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Markosyan, A.S. [Department of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory GSP-2 119992 Moscow (Russian Federation)

    2005-04-15

    Magnetic and transport characteristics of pseudo-ternary compounds (Tb{sub 1-} {sub x} Y {sub x} )Mn{sub 2}Si{sub 2} and TbMn{sub 2}(Si{sub 1-} {sub y} Ge {sub y} ){sub 2} have been studied. The role of the 4f-3d exchange and Mn-Mn distances in the formation of the magnetic structure of these compounds is discussed.

  5. Transport properties of Na doped La sub 1 sub - sub x Ca sub x sub - sub y Na sub y MnO sub 3 measured in a pulsed magnetic field

    CERN Document Server

    Bhattacharya, S; Pal, S; Chatterjee, P; Mukherjee, R K; Chaudhuri, B K

    2002-01-01

    Temperature-dependent magnetization and magnetoresistance of the Na doped La sub 1 sub - sub x Ca sub x sub sub - sub y Na sub y MnO sub 3 type samples with x=0.3 and 0 T sub p up to 320 K) conductivity data satisfy the variable range hopping (VRH) model. For T > 320 the small polaron hopping model is more appropriate than the VRH model. Even with a very small change of y, the density of states at the Fermi level N(E sub F) changes considerably. The resistivity of these materials measured under pulsed and continuous DC magnetic fields behaves in an identical fashion. The relaxation time (decay time of the magnetic pulse within the sample) varies with field strength, which indicates that, with a change of magnetic field, the ordering of spin in the ferromagnetic regime changes.

  6. Surface morphology analysis of nanostructured (Ba sub x , Sr sub 1 sub - sub x)TiO sub 3 thin films using fractal method

    CERN Document Server

    Hong, K J; Choi, W K; Cho, J C

    2003-01-01

    Based on the fractal theory, this paper uses scanning electron microscopy images to investigate the roughness characteristics of nanostructured (Ba Sr)TiO sub 3 thin films by sol-gel methods. The percentage grain area, surface fractal dimensions and 3D image are evaluated using image analysis methods. The thickness of the (Ba Sr)TiO sub 3 thin films was 260-280 nm. The surface fractal dimensions were increased with strontium doping, and grain area, were decreased with it. The fractal dimension and the grain areas of the (Ba sub 0 sub . sub 7 Sr sub 0 sub . sub 3)TiO sub 3 thin films were 1.81 and 81%. Based on the image analysis, the roughness height of 3D images as 256 levels was about 3 nm and its distribution was about 35-40% for the (Ba sub 0 sub . sub 8 Sr sub 0 sub . sub 2)TiO sub 3 and (Ba sub 0 sub . sub 7 Sr sub 0 sub . sub 3)TiO sub 3 thin films. The roughness height of the BST thin films was distributed from 35% to 40% ranging from 3 nm to 4 nm. By increasing the strontium doping, the roughness hei...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-10-31

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

  9. Magnetic circular dichroism of LaMn sub 1 sub - sub x Al sub x O sub 3 sub + subdelta series of samples

    CERN Document Server

    Banerjee, A; Krishnan, R V; Dasannacharya, B A; Muro, T; Saitoh, Y; Imada, S; Suga, S

    2003-01-01

    We report magnetic circular dichroism (MCD) studies on the polycrystalline LaMn sub 1 sub - sub x Al sub x O sub 3 sub + subdelta series with x=0-0.2. The Mn-2p MCD was recorded in the temperature range from 45 to 300 K for samples with x=0, 0.075, 0.1 and 0.15. It was seen that unlike ac-susceptibility no second transition in MCD was observed at lower temperatures in the samples with x>=0.075 indicating that it is not intrinsic to the samples but arise out of the dynamics of ferromagnetic clusters in the polycrystalline sample. More significantly, the MCD signal persists even 100 K above the ferromagnetic T sub C confirming that the observation of the magnetic correlation above T sub C in bulk measurement is intrinsic to this type of systems.

  10. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-09-01

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

  12. Synthesis and structural characterization of Li{sub 3}K{sub 3}Eu{sub 7}(BO{sub 3}){sub 9}

    Energy Technology Data Exchange (ETDEWEB)

    Braeuchle, Sebastian; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie; Seibald, Markus [OSRAM GmbH, Schwabmuenchen (Germany). Corporate Innovation

    2017-07-01

    Li{sub 3}K{sub 3}Eu{sub 7}(BO{sub 3}){sub 9} was prepared by high-temperature solid state synthesis at 900 C in a platinum crucible from lithium carbonate, potassium carbonate, boric acid, and europium(III) oxide. The title compound crystallizes in the orthorhombic space group Pca2{sub 1} (no. 29) (Z = 4). The structure was refined from single-crystal X-ray diffraction data: a = 21.126(2), b = 6.502(2), c = 17.619(2) Aa, V = 2420.1(2) Aa{sup 3}, R1 = 0.0183 and wR2 = 0.0412 for all data. The crystal structure of Li{sub 3}K{sub 3}Eu{sub 7}(BO{sub 3}){sub 9} is isotypic to Li{sub 3}K{sub 3}Y{sub 7}(BO{sub 3}){sub 9} featuring isolated BO{sub 3} units and LiO{sub 6} octahedra forming [Li{sub 3}B{sub 4}O{sub 21}] units in the ac plane, which are linked by additional BO{sub 3} units. The K{sup +} and Eu{sup 3+} cations are arranged in the cavities of the structure.

  13. The relationship between open volume defects and deposition conditions of superconducting thin-film YBa sub 2 Cu sub 3 O sub 7 sub - sub x

    CERN Document Server

    Zhou, X Y; Jiang, H; Bauer-Kugelmann, W; Duffy, J A; Koegel, G; Triftshaeuser, W

    1997-01-01

    The relationship between the open volume defects and the deposition conditions of superconducting thin-film YBa sub 2 Cu sub 3 O sub 7 sub - sub x was studied by the position lifetime technique. Using a low-energy pulsed positron system, positron lifetime as a function of implantation energy was measured on epitaxial superconducting thin-film YBa sub 2 Cu sub 3 O sub 7 sub - sub x deposited on yttrium stabilized cubic zirconia substrates (YSZ) with pulsed laser deposition in a partial pressure of air under different conditions. The results show that the type of open volume defect is independent of deposition conditions such as the substrate temperature, T sub s , and the air pressure, P sub a. The defect concentration increases with decreasing T sub s and increasing P sub a. (author). Letter-to-the-editor

  14. Two crystal structures of Ag sup + -and Tl sup + -exchanged zeolite X, Ag sub 2 sub 7 Tl sub 6 sub 5 -X and Ag sub 2 sub 3 Tl sub 6 sub 9 -X

    CERN Document Server

    Kim, S Y; Kim, Y

    2002-01-01

    Two crystal structures of dehydrated Ag sup + -and Tl sup + -exchanged zeolite X (Ag sub 2 sub 7 Tl sub 6 sub 5 -X and Ag sub 2 sub 3 Tl sub 6 sub 9 -X) have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1) .deg. C (a = 24.758(4) A, a = 24.947(4) A, respectively). Their structures were refined to the final error indices R sub 1 = 0.055 and wR sub 2 = 0.057 with 375 reflections, and R sub 1 = 0.058 and wR sub 2 = 0.057 with 235 reflections, respectively, for which I> 3 sigma(I). In the structure of Ag sub 2 sub 7 Tl sub 6 sub 5 -X, 27 Ag sup + ions were found at two crystallographic sites: 15 Ag sup + ions at site I at the center of the hexagonal prism and the remaining 12 Ag sup + ions at site II' in the sodalite cavity. Sixty-five Tl sup + ions were located at three crystallographic sites: 20 Tl sup + ions at site II opposite single six-rings in the supercage, 18 Tl sup + ions at site I' in the sodalite cavity opposite the D6Rs, and the remaining 27 Tl sup ...

  15. Magnetization studies in ceramic YBa sub 2 Cu sub 3 O sub 7-x. Issledovanie namagnichennosti v keramicheskom YBa sub 2 Cu sub 3 O sub 7-x

    Energy Technology Data Exchange (ETDEWEB)

    Gamtsemlidze, G A; Bibiluri, D I; Gamkrelidze, K P; Mirzoeva, M I; Sharikadze, L A; Shoniya, G K [Tbilisskij Gosudarstvennyj Univ., Tbilisi (Georgia)

    1991-05-01

    The behaviour of ceramic YBa{sub 2}Cu{sub 3}O{sub 7-x} sample magnetization is studied as a function of the external field, prehistory and temperature using the ballistic method. The results obtained are interpreted is terms of the vortex model.

  16. 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.

  17. Measurement of the branching fraction Br (B0<sub>s> → D<sub>s*Ds>* using the D0 detector at Fermilab

    Energy Technology Data Exchange (ETDEWEB)

    Walder, James William [Lancaster Univ. (United Kingdom)

    2008-05-01

    This thesis describes a measurement of the branching fraction Br (B0<sub>s> → D<sub>s*Ds>*) made using a data sample collected from proton-antiproton collisions at a centre-of-mass energy of 1.96 TeV, corresponding to approximately 1.3 fb-1 of integrated luminosity collected in 2002--2006 by the D0 detector at the Fermilab Tevatron Collider. One D*<sub>s> meson was partially reconstructed in the decay D<sub>s> → Φμv, and the other D*<sub>s> meson was identified using the decay D<sub>s> → Φπ where no attempt was made to distinguish D<sub>s> and D*<sub>s> states. The resulting measurement is Br (B0<sub>s> → D<sub>s*Ds>*) = 0.039+0.019<sub>-0.017sub>(stat) +0.016<sub>-0.015sub>(syst). This was subsequently used to estimate the width difference ΔΓCP<sub>s> in the B0<sub>s>-$\\bar{B}$0<sub>s> system: ΔΓCP<sub>s/Γs> = 0.079+0.038<sub>-0.035sub>(stat)+0.031<sub>-0.030sub>(syst), and is currently one of the most precise estimates of this quantity and consistent with the Standard Model.

  18. X-ray and NQR studies of bromoindate(III) complexes. [C{sub 2}H{sub 5}NH{sub 3}]{sub 4}InBr{sub 7}, [C(NH{sub 2}){sub 3}]{sub 3}InBr{sub 6}, and [H{sub 3}NCH{sub 2}C(CH{sub 3}){sub 2}CH{sub 2}NH{sub 3}]InBr{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Iwakiri, Takeharu; Ishihara, Hideta [Saga Univ. (Japan). Faculty of Culture and Education; Terao, Hiromitsu [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Lork, Enno; Gesing, Thorsten M. [Bremen Univ. (Germany). Inst. of Inorganic Chemistry and Crystallography

    2017-03-01

    The crystal structures of [C{sub 2}H{sub 5}NH{sub 3}]{sub 4}InBr{sub 7}(1), [C(NH{sub 2}){sub 3}]{sub 3}InBr{sub 6}(2), and [H{sub 3}NCH{sub 2}C(CH{sub 3}){sub 2}CH{sub 2}NH{sub 3}]InBr{sub 5}(3) were determined at 100(2) K: monoclinic, P2{sub 1}/n, a=1061.94(3), b=1186.40(4), c=2007.88(7) pm, β= 104.575(1) , Z=4 for 1; monoclinic, C2/c, a=3128.81(12), b=878.42(3), c=2816.50(10) pm, β=92.1320(10) , Z=16 for 2; orthorhombic, P2{sub 1}2{sub 1}2{sub 1}, a=1250.33(5), b=1391.46(6), c=2503.22(9) pm, Z=4 for 3. The structure of 1 contains an isolated octahedral [InBr{sub 6}]{sup 3-} ion and a Br{sup -} ion. The structure of 2 contains three different isolated octahedral [InBr{sub 6}]{sup 3-} ions. The structure of 3 has a corner-shared double-octahedral [In{sub 2}Br{sub 11}]{sup 5-} ion and an isolated tetrahedral [InBr{sub 4}]{sup -} ion. The {sup 81}Br nuclear quadrupole resonance (NQR) lines of the terminal Br atoms of the compounds are widely spread in frequency, and some of them show unusual positive temperature dependence. These observations manifest the N-H..Br-In hydrogen bond networks developed between the cations and anions to stabilize the crystal structures. The {sup 81}Br NQR and differential thermal analysis (DTA) measurements have revealed the occurrence of unique phase transitions in 1 and 3. When the bond angles were estimated from the electric field gradient (EFG) directions calculated by the molecular orbital (MO) methods, accurate values were obtained for [InBr{sub 6}]{sup 3-} of 1 and for [In{sub 2}Br{sub 11}]{sup 5-} and [InBr{sub 4}]{sup -} of 3, except for several exceptions in those for the latter two ions. On the other hand, the calculations of {sup 81}Br NQR frequencies have produced up to 1.4 times higher values than the observed ones.

  19. From Ba{sub 3}Ta{sub 5}O{sub 14}N to LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}: Decreasing the optical band gap of a photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Anke, B. [Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Bredow, T. [Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstr. 4, 53115 Bonn (Germany); Pilarski, M.; Wark, M. [Institut für Chemie, Carl von Ossietzky Universität Oldenburg, Carl-von-Ossietzky-Str. 9-11, 26129 Oldenburg (Germany); Lerch, M., E-mail: martin.lerch@tu-berlin.de [Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany)

    2017-02-15

    Yellow LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was successfully synthesized as phase-pure material crystallizing isostructurally to previously reported Ba{sub 3}Ta{sub 5}O{sub 14}N and mixed-valence Ba{sub 3}Ta{sup V}{sub 4}Ta{sup IV}O{sub 15}. The electronic structure of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was studied theoretically with the range-separated hybrid method HSE06. The most stable structure was obtained when lanthanum was placed on 2a and nitrogen on 4h sites confirming Pauling's second rule. By incorporating nitrogen, the measured band gap decreases from ∼3.8 eV for the oxide via 2.74 eV for Ba{sub 3}Ta{sub 5}O{sub 14}N to 2.63 eV for the new oxide nitride, giving rise to an absorption band well in the visible-light region. Calculated fundamental band gaps confirm the experimental trend. The atom-projected density of states has large contributions from N2p orbitals close to the valence band edge. These are responsible for the observed band gap reduction. Photocatalytic hydrogen formation was investigated and compared with that of Ba{sub 3}Ta{sub 5}O{sub 14}N revealing significantly higher activity for LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} under UV-light. - Graphical abstract: X-ray powder diffraction pattern of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} with the results of the Rietveld refinements. Inset: Unit cell of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} and polyhedral representation of the crystal structure. - Highlights: • Synthesis of a new oxide nitride LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}. • Refinement of the crystal structure. • Quantum chemical calculations provided band gap close to the measured value. • New phase shows a higher photocatalytic H{sub 2} evolution rate compared to prior tested Ba{sub 3}Ta{sub 5}O{sub 14}N.

  20. Ion Implantation of In<sub>0.53sub>Ga>0.47sub>As

    Energy Technology Data Exchange (ETDEWEB)

    Almonte, Marlene Isabel [Univ. of California, Berkeley, CA (United States)

    1999-05-01

    Studies of the effects of implanation in In<sub>0.53sub>Ga>0.47sub>As due to damage by implantation of Ne+ ions and to compensation by implantation of Fe+ ions are reported in this thesis.

  1. 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.).

  2. Fabrication of full high-T sub c superconducting YBa sub 2 Cu sub 3 O sub 7 sub - sub x trilayer junctions using a polishing technique

    CERN Document Server

    Kuroda, K; Takami, T; Ozeki, T

    2003-01-01

    We have successfully fabricated full high-T sub c superconducting YBa sub 2 Cu sub 3 O sub 7 sub - sub x (YBCO)/PrBa sub 2 Cu sub 3 O sub 7 sub - sub x (PBCO)/YBCO trilayer junctions, which have a simple device structure, such as a Pb-alloy-based Josephson tunneling junction. It has been demonstrated that a polishing technique is extremely useful in the fabrication process: it is effective in smoothing a coarse surface and gentling the slopes of the edges, or decreasing the slope angles. Owing to the polishing technique, the PBCO barrier layer and the upper YBCO layer have been notably thinned: the thicknesses of these layers are 10 nm and 250 nm, respectively. Junctions with the dimensions of 5 mu m x 5 mu m showed resistively shunted junction-like current-voltage curves with a typical critical current density of 110 A/cm sup 2 at 4.2 K. Furthermore, the operation of superconducting quantum interference devices has been demonstrated. (author)

  3. A structural study of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 at high pressure

    CERN Document Server

    Kozlenko, D P; Hull, S; Knorr, K; Savenko, B N; Shchennikov, V V; Voronin, V I

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P approx 1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e sub 4. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

  4. Densification and mechanical properties of sintered Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12} ceramic composite

    Energy Technology Data Exchange (ETDEWEB)

    Paneto, Flavio Jose; Pereira, Joaquim Lopes; Oliveira, Jean de Lima; Jesus Filho, Edson de; Silva, Leandro Anselmo da; Cabral, Ricardo de Freitas; Santos, Claudinei dos [Centro Universitario de Volta Redonda (UNIFOA), Volta Redonda, RJ (Brazil); Lima, Eduardo de Sousa [Institutlo Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil)

    2014-06-15

    In this work, Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12} ceramic composites were developed with different proportions of Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12}, which were mixed and compacted at different pressures of 40MPa to 100MPa, being consequently sintered at 1600 deg C-2h. The sintered samples were characterized by X-ray diffraction presenting α-Al{sub 2}O{sub 3} and Y{sub 3}Al{sub 5}O{sub 12} as crystalline phases. Samples with relative densities ranging from 78 to 80% and 87 to 91% were obtained depending on the composition and the compaction pressure used. The hardness values obtained were of 1010 to 1080HV and 370- 470HV, for mixes Al{sub 2}O{sub 3}-Y{sub 3}Al{sub 5}O{sub 12} having the composition with levels of 20 and 36.5wt.%, respectively. (author)

  5. Etching of UO<sub>2sub> in NF<sub>3sub> RF Plasma Glow Discharge

    Energy Technology Data Exchange (ETDEWEB)

    Veilleux, John M. [Univ. of California, Berkeley, CA (United States)

    1999-08-01

    A series of room temperature, low pressure (10.8 to 40 Pa), low power (25 to 210 W) RF plasma glow discharge experiments with UO<sub>2sub> were conducted to demonstrate that plasma treatment is a viable method for decontaminating UO<sub>2sub> from stainless steel substrates. Experiments were conducted using NF<sub>3sub> gas to decontaminate depleted uranium dioxide from stainless-steel substrates. Depleted UO<sub>2sub> samples each containing 129.4 Bq were prepared from 100 microliter solutions of uranyl nitrate hexahydrate solution. The amorphous UO<sub>2sub> in the samples had a relatively low density of 4.8 gm/cm<sub>3sub>. Counting of the depleted UO<sub>2sub> on the substrate following plasma immersion was performed using liquid scintillation counting with alpha/beta discrimination due to the presence of confounding beta emitting daughter products, 234Th and 234Pa. The alpha emission peak from each sample was integrated using a gaussian and first order polynomial fit to improve quantification. The uncertainties in the experimental measurement of the etched material were estimated at about ± 2%. Results demonstrated that UO<sub>2sub> can be completely removed from stainless-steel substrates after several minutes processing at under 200 W. At 180 W and 32.7 Pa gas pressure, over 99% of all UO<sub>2sub> in the samples was removed in just 17 minutes. The initial etch rate in the experiments ranged from 0.2 to 7.4 μm/min. Etching increased with the plasma absorbed power and feed gas pressure in the range of 10.8 to 40 Pa. A different pressure effect on UO<sub>2sub> etching was also noted below 50 W in which etching increased up to a maximum pressure, ~23 Pa, then decreased with further increases in pressure.

  6. Proton form factor ratio, μ<sub>psub>G<sub>Esub>P/G<sub>M>P from double spin asymmetry

    Energy Technology Data Exchange (ETDEWEB)

    Habarakada Liyanage, Anusha Pushpakumari [Hampton Univ., Hampton, VA (United States)

    2013-08-01

    The form factors are fundamental properties of the nucleon representing the effect of its structure on its response to electromagnetic probes such as electrons. They are functions of the four-momentum transfer squared Q2 between the electron and the proton. This thesis reports the results of a new measurement of the ratio of the electric and magnetic form factors of the proton up to Q2 = 5.66 (GeV/c)2 using the double spin asymmetry with a polarized beam and target. Experiment E07-003 (SANE, Spin Asymmetries of the Nucleon Experiment) was carried out in Hall C at Jefferson Lab in 2009 to study the proton spin structure functions with a dynamically polarized ammonia target and longitudinally polarized electron beam. By detecting elastically scattered protons in the High-Momentum Spectrometer (HMS) in coincidence with the electrons in the Big Electron Telescope Array (BETA), elastic measurements were carried out in parallel. The elastic double spin asymmetry allows one to extract the proton electric to magnetic form factor ratio Gp<sub>E/GpM> at high-momentum transfer, Q2= 5.66 (GeV/c)2. In addition to the coincidence data, inclusively scattered electrons from the polarized ammonia target were detected by HMS, which allows to measure the beam-target asymmetry in the elastic region with the target spin nearly perpendicular to the momentum transfer, and to extract Gp<sub>E/GpM> at low Q2= 2.06 (GeV/c)2. This alternative measurement of Gp<sub>E/GpM> has verified and confirmed the dramatic discrepancy at high Q2 between the Rosenbluth and the recoil-polarization-transfer iv method with a different measurement technique and systematic uncertainties uncorrelated to those of the recoil-polarization measurements. The measurement of the form factor ratio at Q2 = 2

  7. A structural transformation and its effect on the physical properties of the V-substituted Bi sub 2 Sr sub 2 Ca sub 2 Cu sub 3 O sub 1 sub 0 sub + sub y system

    CERN Document Server

    Yakinci, M E

    1997-01-01

    Systematic substitution of V in the Bi sub 2 sub - subdelta V subdelta Sr sub 2 Ca sub 2 Cu sub 3 O sub 1 sub 0 sub + sub y system (delta=0, 0.2, 0.4, 0.6, 0.8 and 1) was carried out in order to determine the effect of V ions on the phase formation and on the physical properties of the BSCCO 2223 system. The most interesting observation was structural transformation of the system from tetragonal to orthorhombic after delta=0.6. A solid solubility limit for V was also found to exist. Resistivity and susceptibility studies have shown that high-T sub c superconductivity exists up to delta=0.6 and that the semiconducting-to-metallic transition or fully semiconducting behaviour occurs after this limit. A fractionally small but very-high-T sub c transition at around 210 K was also observed, but it was not reproducible. Among the V-substituted samples the best electrical properties were obtained for delta=0.2; T sub c and T sub o were found to be 112 K and 92 K, respectively, the calculated value of J sub c was foun...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-02-15

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

  9. 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.

  10. Fuel sub-assembly

    International Nuclear Information System (INIS)

    Jolly, R.

    1982-01-01

    A fuel sub-assembly for a liquid metal cooled nuclear reactor is described in which the bundle of fuel pins are braced apart by a series of spaced grids. The grids at the lower end are capable of yielding, thus allowing pins swollen by irradiation to be withdrawn with a reduced risk of damage. (U.K.)

  11. Sub-structure

    CSIR Research Space (South Africa)

    Van Wyk, Llewellyn V

    2010-04-01

    Full Text Available in Conventional Sub-structure Element Concrete Volume (m 3 ) kgCO2/m 3 (see footnote) Total CO2 (kg) Foundations 1 3.69 209 2 771 Foundation walls 3 1.79 174 4 311 Concrete slab 5 4.09 250 6 1022 Total 9.57 2104 Raft foundations...

  12. 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)

  13. Magnetoelastic behaviour of Gd sub 5 Ge sub 4

    CERN Document Server

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

    2003-01-01

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

  14. Foamed Cement Interactions with CO<sub>2sub>

    Energy Technology Data Exchange (ETDEWEB)

    Verba, Circe [National Energy Technology Lab. (NETL), Albany, OR (United States); Montross, Scott [National Energy Technology Lab. (NETL), Albany, OR (United States); Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States); Spaulding, Richard [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Dalton, Laura [Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States); National Energy Technology Lab. (NETL), Morgantown, WV (United States); Crandall, Dustin [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Moore, Johnathan [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Glosser, Deborah [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Huerta, Nik [National Energy Technology Lab. (NETL), Albany, OR (United States); Kutchko, Barb [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

    2017-02-02

    Geologic carbon storage (GCS) is a potentially viable strategy to reduce greenhouse emissions. Understanding the risks to engineered and geologic structures associated with GCS is an important first step towards developing practices for safe and effective storage. The widespread utilization of foamed cement in wells may mean that carbon dioxide (CO<sub>2sub>)/brine/foamed cement reactions may occur within these GCS sites. Characterizing the difference in alteration rates as well as the physical and mechanical impact of CO<sub>2sub>/brine/foamed cement is an important preliminary step to ensuring offshore and onshore GCS is a prudent anthropogenic CO<sub>2sub> mitigation choice.

  15. CeNi{sub 3}-type rare earth compounds: crystal structure of R{sub 3}Co{sub 7}Al{sub 2} (R=Y, Gd–Tm) and magnetic properties of {Gd–Er}{sub 3}Co{sub 7}Al{sub 2}, {Tb, Dy}{sub 3}Ni{sub 8}Si and Dy{sub 3}Co{sub 7.68}Si{sub 1.32}

    Energy Technology Data Exchange (ETDEWEB)

    Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-1, Moscow 119991 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600 036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

    2017-03-15

    The crystal structure of new CeNi{sub 3}-type {Y, Gd–Tm}{sub 3}Co{sub 7}Al{sub 2} (P63/mmc. N 194, hP24) compounds has been established using powder X-ray diffraction studies. The magnetism of Tb{sub 3}Ni{sub 8}Si and Dy{sub 3}Ni{sub 8}Si is dominated by rare earth sublattice and the magnetic properties of R{sub 3}Co{sub 7}Al{sub 2} (R =Gd–Er) and Dy{sub 3}Co{sub 7.68}Si{sub 1.32} are determined by both rare earth and cobalt sublattices. Magnetization data indicate ferromagnetic ordering of {Tb, Dy}{sub 3}Ni{sub 8}Si at 32 K and 21 K, respectively. Gd{sub 3}Co{sub 7}Al{sub 2} and Tb{sub 3}Co{sub 7}Al{sub 2} exhibit ferromagnetic ordering at 309 K and 209 K, respectively, whereas Dy{sub 3}Co{sub 7}Al{sub 2}, Ho{sub 3}Co{sub 7}Al{sub 2}, Er{sub 3}Co{sub 7}Al{sub 2} and Dy{sub 3}Co{sub 7.68}Si{sub 1.32} show a field dependent ferromagnetic-like ordering at 166 K, 124 K, 84 K and 226 K, respectively followed by a low temperature transition at 34 K for Dy{sub 3}Co{sub 7}Al{sub 2}, 18 K for Ho{sub 3}Co{sub 7}Al{sub 2}, 56 K for Er{sub 3}Co{sub 7}Al{sub 2}, 155 K and 42 K for Dy{sub 3}Co{sub 7.68}Si{sub 1.32}. Among these compounds, Dy{sub 3}Ni{sub 8}Si shows largest magnetocaloric effect (isothermal magnetic entropy change) of −11.6 J/kg·K at 18 K in field change of 50 kOe, whereas Tb{sub 3}Co{sub 7}Al{sub 2}, Dy{sub 3}Co{sub 7}Al{sub 2} and Dy{sub 3}Co{sub 7.68}Si{sub 1.32} exhibit best permanent magnet properties in the temperature range of 2–5 K with remanent magnetization of 11.95 μ{sub B}/fu, 12.86 μ{sub B}/fu and 14.4 μ{sub B}/fu, respectively and coercive field of 3.0 kOe, 1.9 kOe and 4.4 kOe, respectively. - Highlights: • {Y, Gd–Tm}{sub 3}Co{sub 7}Al{sub 2} compounds crystallize in the CeNi{sub 3}-type structure. • {Gd-Er}{sub 3}Co{sub 7}Al{sub 2} show ferrimagnetic ordering at 309 K, 209 K, 166 K, 124 K and 84 K. • Dy{sub 3}Co{sub 7.68}Si{sub 1.32} exhibits magnetic transitions at 226 K, 155 K and 42 K. • {Tb-Er}{sub 3}Co{sub 7}Al{sub 2

  16. Triangular Zn{sub 3} and Ga{sub 3} units in Sr{sub 2}Au{sub 6}Zn{sub 3}, Eu{sub 2}Au{sub 6}Zn{sub 3}, Sr{sub 2}Au{sub 6}Ga{sub 3}, and Eu{sub 2}Au{sub 6}Ga{sub 3}. Structure, magnetism, {sup 151}Eu Moessbauer and {sup 69;71}Ga solid state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gerke, Birgit; Niehaus, Oliver; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Korthaus, Alexander; Haarmann, Frank [RWTH Aachen Univ. (Germany). Inst. fuer Anorganische Chemie

    2016-08-01

    The gold-rich intermetallic compounds Sr{sub 2}Au{sub 6}Zn{sub 3}, Eu{sub 2}Au{sub 6}Zn{sub 3}, Sr{sub 2}Au{sub 6}Ga{sub 3}, and Eu{sub 2}Au{sub 6}Ga{sub 3} were synthesized from the elements in sealed tantalum ampoules in induction or muffle furnaces. The europium compounds are reported for the first time and their structures were refined from single crystal X-ray diffractometer data: Sr{sub 2}Au{sub 6}Zn{sub 3} type, R anti 3c, a = 837.7(1), c = 2184.5(4) pm, wR2 = 0.0293, 572 F{sup 2} values for Eu{sub 2}Au{sub 6.04}Zn{sub 2.96} and a = 838.1(2), c = 2191.7(5) pm, wR2 = 0.0443, 513 F{sup 2} values for Eu{sub 2}Au{sub 6.07}Ga{sub 2.93} with 20 variables per refinement. The structures consist of a three-dimensional gold network with a 6R stacking sequence, similar to the respective diamond polytype. The cavities of the network are filled in a ratio of 2:1 by strontium (europium) atoms and Ga{sub 3} (Zn{sub 3}) triangles in an ordered manner. Sr{sub 2}Au{sub 6}Zn{sub 3} and Sr{sub 2}Au{sub 6}Ga{sub 3} are diamagnetic with room temperature susceptibilities of -3.5 x 10{sup -4} emu mol{sup -1}. Temperature dependent susceptibility and {sup 151}Eu Moessbauer spectroscopic measurements show a stable divalent ground state for both europium compounds. Eu{sub 2}Au{sub 6}Zn{sub 3} and Eu{sub 2}Au{sub 6}Ga{sub 3} order antiferromagnetically below Neel temperatures of 16.3 and 12.1 K, respectively. Anisotropic electrical conductivity of Sr{sub 2}Au{sub 6}Ga{sub 3} is proven by an alignment of the crystallites in the magnetic field. Orientation-dependent {sup 69;71}Ga NMR experiments combined with quantum mechanical calculations (QM) give evidence for a highly anisotropic charge distribution of the Ga atoms.

  17. 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/.

  18. On the dimorphism of Pr{sub 6}Mo{sub 10}O{sub 39}

    Energy Technology Data Exchange (ETDEWEB)

    Rudolph, Daniel; Laufer, Sonja; Hartenbach, Ingo [Stuttgart Univ. (Germany). Inst. for Inorganic Chemistry

    2017-07-01

    Attempts to synthesize Pr{sub 4}Mo{sub 7}O{sub 27} using Pr, Pr{sub 6}O{sub 11} and MoO{sub 3} in a molar ratio of 8:6:77 led to a main product of scheelite-type Pr{sub 0.667}[MoO{sub 4}] and few single crystals of the triclinic A-type Pr{sub 6}Mo{sub 10}O{sub 39}. The latter crystallizes in space group P anti 1 (a=945.25(1), b=1058.49(2), c=1815.16(3) pm; α=104.149(1), β=95.220(1), γ=102.617(1) , Z=2). Its crystal structure comprises six crystallographically independent Pr{sup 3+} cations, eight tetrahedral [MoO{sub 4}]{sup 2-} units, and one [Mo{sub 2}O{sub 7}]{sup 2-} entity. The cations display coordination numbers of seven (1 x) and eight (5 x), while the [MoO{sub 4}]{sup 2-} tetrahedra are surrounded by five Pr{sup 3+} cations each. The [Mo{sub 2}O{sub 7}]{sup 2-} anions exhibit a coordination environment of seven Pr{sup 3+} cations. The attempt to synthesize PrF[MoO{sub 4}] using PrOF (from in situ thermal decomposition of PrF[CO{sub 3}]) as reagent did not lead to the desired product but to monoclinic B-type Pr{sub 6}Mo{sub 10}O{sub 39}. This slightly less dense modification compared to its triclinic analogue crystallizes in space group C2/c (a=1247.93(3), b=1989.68(6), c=1392.52 (4) pm, β=100.505(2) , Z=4) with three crystallographically independent Pr{sup 3+} cations, four [MoO{sub 4}]{sup 2-} tetrahedra, and again one [Mo{sub 2}O{sub 7}]{sup 2-} unit in the crystal structure. Thus, both Pr{sub 6}Mo{sub 10}O{sub 39} modifications are better described with the structured formula Pr{sub 6}[MoO{sub 4}]{sub 8}[Mo{sub 2}O{sub 7}]. The coordination numbers around the Pr{sup 3+} cations are seven (1 x) and eight (2 x) while all four [MoO{sub 4}]{sup 2-} anions are again surrounded by five Pr{sup 3+} cations each. Six of the latter represent the coordination environment around the [Mo{sub 2}O{sub 7}]{sup 2-} entities. Besides the thorough comparison of the crystal structures single crystal Raman spectra were recorded for both Pr{sub 6}Mo{sub 10}O{sub 39

  19. Magnetic structures of Er{sub 6}Mn{sub 23} and Dy{sub 6}Mn{sub 23}

    Energy Technology Data Exchange (ETDEWEB)

    Ouladdiaf, B. [Institut Max von Laue - Paul Langevin, 38 - Grenoble (France); Deportes, J. [Laboratoire de Magnetisme L. Neel, C.N.R.S., BP 166, 38042 Grenoble Cedex 9 (France); Rodriguez-Carvajal, J. [Institut Max von Laue - Paul Langevin, 38 - Grenoble (France)]|[Laboratoire Leon Brillouin (CEA-CNRS), Centre d`Etudes de Saclay, Gif sur Yvette (France)

    1995-08-01

    The R{sub 6}Mn{sub 23} (R=rare earth) compounds crystallize in the cubic Th{sub 6}Mn{sub 23}-type structure with space group Fm3m. Powder neutron-diffraction experiments were performed on Dy{sub 6}Mn{sub 23} and Er{sub 6}Mn{sub 23}. The magnetic unit cell coincides with the chemical one. The R moments have a ferromagnetic non-collinear arrangement, whereas the Mn moments are parallel to the [1 1 1] direction. The magnetic structures belong to the three-dimensional {Gamma}{sub 5g} irreducible representation of Fm3m associated with the wave vector K=[0 0 0]. The spin configurations in both compounds result from the competition between the R-R, R-Mn magnetic interactions and the crystal electric field on the R ions. (orig.).

  20. Magnetic ordering in single crystals of PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta

    CERN Document Server

    Uma, S; Gmelin, E; Rangarajan, G; Skanthakumar, S; Lynn, J W; Walter, R; Lorenz, T; Büchner, B; Walker, E; Erb, A

    1998-01-01

    Heat capacity measurements on pure but twinned single crystals of PrBa sub 2 Cu sub 3 O sub 7 sub - subdelta reveal a sharp peak at T sub N sup P sup sub T =16.6 K, which according to thermal expansion, neutron diffraction, and magnetic susceptibility measurements originates from an antiferromagnetic ordering of the Pr-ion moments. A modest coupling to the Cu(2) spin system is observed. Below T sub N sup P sup sub T a first-order transition in the magnetic structure of the Pr spin system (at 13.4 K in warming; approx. 11 K in cooling) is found. Field-dependent heat capacity data show anisotropic temperature dependences of the c sub p -peaks and recover a Schottky-like anomaly due to the crystal-field-split ground state of the Pr sup 3 sup +. (author). Letter-to-the-editor

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-15

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

  3. Scaling properties of YBa{sub 2}Cu{sub 3}O{sub x} films

    Energy Technology Data Exchange (ETDEWEB)

    Arushanov, E [Institute of Applied Physics, Academy of Sciences of the Moldova Republic, Academie street 5, Chisinau, MD 2028 (Moldova, Republic of); Levcenko, S [Institute of Applied Physics, Academy of Sciences of the Moldova Republic, Academie street 5, Chisinau, MD 2028 (Moldova, Republic of); Alami, H El [GPMD-Universite Paris 12, 61 avenue De Gaulle, 94010 CRETEIL Cedex (France); Cavellin, C Deville [GPMD-Universite Paris 12, 61 avenue De Gaulle, 94010 CRETEIL Cedex (France)

    2005-11-01

    An alternative simple method is proposed for analysing the scaling properties of the high-T{sub c} superconductor cuprates. The temperature is rescaled with a parameter T{sub R} determined from the precise analysis of R{sub H}(1/T), where R{sub H} is the Hall coefficient, in the high-temperature range. To illustrate this new method, the resistivity and Hall effect data obtained on underdoped YBa{sub 2}Cu{sub 3}O{sub x} epitaxial thin films are analysed. It is shown that the temperature-dependent resistivity {rho}(T), Hall coefficient R{sub H}(T) and the cotangent of the Hall angle cot {theta}{sub H}(T) of underdoped YBa{sub 2}Cu{sub 3}O{sub x} can be scaled into universal curves using this parameter T{sub R} to make a linear transformation of temperature and {rho}(T), R{sub H}(T) or cot{theta}{sub H}(T)

  4. Site-selective doping and superconductivity in (La/sub 1-//sub y/Pr/sub y/)(Ba/sub 2-//sub x/La/sub x/)Cu3O/sub 7+//sub δ/

    International Nuclear Information System (INIS)

    Mitzi, D.B.; Feffer, P.T.; Newsam, J.M.; Webb, D.J.; Klavins, P.; Jacobson, A.J.; Kapitulnik, A.

    1988-01-01

    Samples in the quaternary system (La/sub 1-//sub y/Pr/sub y/)(Ba/sub 2-//sub x/La/sub x/)Cu 3 O/sub 7+//sub δ/ have been prepared and characterized using x-ray and neutron diffraction, thermogravimetric analysis, and transport and magnetic measurements. Pr substitutes on the oxygen-depleted La layers for y>0.0, while La substitutes on the Ba sites for x>0.0. The effect of doping on each site is inferred to be primarily local, affecting immediately adjacent Cu-O layers. The similar suppression of superconductivity that accompanies doping on each of the two distinct sites apparently correlates with the degree of oxidation of the Cu-O sheets (and not the chains), indicating that the sheets support the high temperature superconductivity. Comparison of orthorhombic and tetragonal samples with similar Ba:La ratios (and y = 0) demonstrates that the orthorhombic phase yields the largest Meissner signals and highest transition temperatures in the La(Ba/sub 2-//sub x/La/sub x/)Cu 3 O/sub 7+//sub δ/ system

  5. 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.

  6. CubeSub

    Science.gov (United States)

    Slettebo, Christian; Jonsson, Lars Jonas

    2016-01-01

    This presentation introduces and discusses the development of the CubeSub submersible concept, an Autonomous Underwater Vehicle (AUV) designed around the CubeSat satellite form factor. The presented work is part of the author's MSc thesis in Aerospace Engineering at the Royal Institute of Technology, Stockholm, Sweden, and was performed during an internship at the Mission Design Division of the NASA Ames Research Center, Moffett Field, CA. Still in the early stages of its development, the CubeSub is to become a submersible test-bed for technology qualified for underwater and space environments. With the long-term goal of exploring the underwater environments in outer space, such as the alleged subsurface ocean of Jupiter's moon Europa, a number of technology and operational procedures must be developed and matured. To assist in this, the CubeSub platform is introduced as a tool to allow engineers and scientists to easily test qualified technology underwater. A CubeSat is a class of miniaturized satellite built to a standardized size. The base size is 1U (U for unit), corresponding to a 100 x 100 x 113.5 cu mm cube. A 1U CubeSat can in other words easily be held in one hand. Stacking units give larger satellite sizes such as the also commonly used 1.5U, 2U and 3U. The CubeSat standard is in itself already well established and hundreds of CubeSats have to date been launched into space. Compatible technology is readily available and the know-how exists in the space industry, all of which makes it a firm ground to stand on for the CubeSub. The rationale behind using the CubeSat form factor is to make use of this pre-existing foundation, making the CubeSub easy to develop, modular and readily available. It will thereby aid in the process of maturing the concept of a fully space qualified submersible headed for outer space. As a further clarification, the CubeSub is itself not meant for outer space, but to facilitate development of such a vessel. Along with its uses as a

  7. Vanishing of T sub c and appearance of quantum paraelectricity in KD sub 2 PO sub 4 and KH sub 2 PO sub 4 under high pressure

    CERN Document Server

    Endo, S; Tokunaga, M

    2002-01-01

    The temperature dependences of the dielectric constants of the hydrogen-bond ferroelectrics KH sub 2 PO sub 4 (KDP) and KD sub 2 PO sub 4 (DKDP) were measured under high hydrostatic pressure. Their ferroelectric transition temperatures T sub c monotonically decreased with increasing pressure and the ferroelectric state vanished at p sub c : 1.7 GPa for KDP and 6.1 GPa for DKDP. On the other hand, the Curie constant remained finite at p sub c , which indicates that the ferroelectric phase transition at high pressure is of displacive type. At pressures around p sub c , quantum paraelectricity was observed in KDP and DKDP.

  8. 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.

  9. 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.

  10. Magnetic sublattices in Np{sub 2}Co{sub 17} and Np{sub 2}Ni{sub 17}

    Energy Technology Data Exchange (ETDEWEB)

    Colineau, E., E-mail: eric.colineau@ec.europa.eu; Hen, A. [Institute for Transuranium Elements (ITU), European Commission, Joint Research Centre (JRC) (Germany); Sanchez, J.-P. [CEA, INAC-SPSMS (France); Griveau, J.-C.; Magnani, N.; Eloirdi, R. [Institute for Transuranium Elements (ITU), European Commission, Joint Research Centre (JRC) (Germany); Halevy, I. [Ben Gurion University, Nuclear Engineering Department (Israel); Gaczyński, P. [Institute for Transuranium Elements (ITU), European Commission, Joint Research Centre (JRC) (Germany); Orion, I. [Ben Gurion University, Nuclear Engineering Department (Israel); Shick, A. B. [Institute of Physics, ASCR (Czech Republic); Caciuffo, R. [Institute for Transuranium Elements (ITU), European Commission, Joint Research Centre (JRC) (Germany)

    2016-12-15

    Rare-earth-based compounds R{sub 2}T{sub 17} (R=Rare earth; T=Transition metal) have been extensively studied and developed for applications as permanent magnets. The actinide-based analogues, however, are much less documented and we report here about the magnetic properties of Np{sub 2}Co{sub 17} and Np{sub 2}Ni{sub 17}, as inferred from {sup 237}Np Mössbauer spectroscopy, the best resonance in actinides, and specific heat.

  11. Anion- or Cation-Exchange Membranes for NaBH<sub>4sub>/H>2sub>O>2 sub>Fuel Cells?

    Directory of Open Access Journals (Sweden)

    César A. C. Sequeira

    2012-07-01

    Full Text Available Direct borohydride fuel cells (DBFC, which operate on sodium borohydride (NaBH<sub>4sub> as the fuel, and hydrogen peroxide (H<sub>2sub>O>2sub> as the oxidant, are receiving increasing attention. This is due to their promising use as power sources for space and underwater applications, where air is not available and gas storage poses obvious problems. One key factor to improve the performance of DBFCs concerns the type of separator used. Both anion- and cation-exchange membranes may be considered as potential separators for DBFC. In the present paper, the effect of the membrane type on the performance of laboratory NaBH<sub>4sub>/H>2sub>O>2sub> fuel cells using Pt electrodes is studied at room temperature. Two commercial ion-exchange membranes from Membranes International Inc., an anion-exchange membrane (AMI-7001S and a cation-exchange membrane (CMI-7000S, are tested as ionic separators for the DBFC. The membranes are compared directly by the observation and analysis of the corresponding DBFC’s performance. Cell polarization, power density, stability, and durability tests are used in the membranes’ evaluation. Energy densities and specific capacities are estimated. Most tests conducted, clearly indicate a superior performance of the cation-exchange membranes over the anion-exchange membrane. The two membranes are also compared with several other previously tested commercial membranes. For long term cell operation, these membranes seem to outperform the stability of the benchmark Nafion membranes but further studies are still required to improve their instantaneous power load.

  12. Persistence of slow fluctuations in the overdoped regime of Ba(Fe<sub>1-xsub>Rhx)>2sub>As>2sub> superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Bossoni, L. [Univ. of Pavia (Italy); Leiden Univ. (Netherlands); Moroni, M. [Univ. of Pavia (Italy); Julien, M. H. [Leiden Univ. (Netherlands); Canfield, Paul C. [Ames Lab. and Iowa State Univ., Ames, IA (United States); Mayaffre, H. [Leiden Univ. (Netherlands); Reyes, A. [National High Magnetic Field Lab., Tallahassee, FL (United States); Halperin, W. P. [Northwestern Univ., Evanston, IL (United States); Carretta, P. [Univ. of Pavia (Italy)

    2016-04-15

    We present nuclear magnetic resonance evidence that very slow (1 MHz) spin fluctuations persist into the overdoped regime of Ba(Fe<sub>1-xsub>Rhx)>2sub>As>2sub> superconductors. Measurements of the 75As spin echo decay rate, obtained both with Hahn Echo and Carr Purcell Meiboom Gill pulse sequences, show that the slowing down of spin uctuations can be described by short-range diffusive dynamics, likely involving domain walls motions separating (π/a, 0) from (0, π/a) correlated regions. This slowing down of the fluctuations is weakly sensitive to the external magnetic field and, although fading away with doping, it extends deeply into the overdoped regime.

  13. Searching for θ<sub>13sub> at Daya Bay

    Energy Technology Data Exchange (ETDEWEB)

    Giedt, Joel [Rensselaer Polytechnic Inst., Troy, NY (United States); Napolitano, James [Temple Univ., Philadelphia, PA (United States)

    2015-06-08

    An experiment has been carried out by the Daya Bay Collaboration to measure the neutrino mixing angle θ<sub>13sub>. In addition, the grant has supported research into lattice field theory beyond the standard model.

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

    CERN Document Server

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

    2003-01-01

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

  15. Structure and properties of ZnO-B{sub 2}O{sub 3}-P{sub 2}O{sub 5}-TeO{sub 2} glasses

    Energy Technology Data Exchange (ETDEWEB)

    Mosner, Petr, E-mail: petr.mosner@upce.cz [Department of General and Inorganic Chemistry, University of Pardubice, Faculty of Chemical Technology, 53210 Pardubice (Czech Republic); Vosejpkova, Katerina; Koudelka, Ladislav [Department of General and Inorganic Chemistry, University of Pardubice, Faculty of Chemical Technology, 53210 Pardubice (Czech Republic); Montagne, Lionel; Revel, Bertrand [Unite de Catalyse et de Chimie du Solide - UCCS, Univ Lille Nord de France, F-59000, CNRS UMR 8181, USTL F-59655, ENSCL F-59652, Villeneuve d' Ascq (France)

    2010-11-01

    Zinc borophosphate glasses doped with TeO{sub 2} were studied in the compositional series (100 - x)[0.5ZnO-0.1B{sub 2}O{sub 3}-0.4P{sub 2}O{sub 5}]-xTeO{sub 2} in a broad concentration range of x = 0-80 mol% TeO{sub 2}. The structure of the glasses was studied by Raman and IR spectroscopy and by {sup 31}P and {sup 11}B MAS NMR spectroscopy. According to the Raman and IR spectra, TeO{sub 2} is incorporated in the structural network in the form of TeO{sub 3}, TeO{sub 3+1} and TeO{sub 4} structural units. The ratio of TeO{sub 4}/TeO{sub 3} increases with increasing TeO{sub 2} content in the glasses. The incorporation of TeO{sub x} units into the glass network is associated with the depolymerisation of phosphate chains, as revealed by Raman spectroscopy. The incorporation of TeO{sub 2} modifies also the coordination of boron atoms, where B(OP){sub 4} structural units are gradually replaced by B(OP){sub 4-n}(OTe){sub n} units. The addition of TeO{sub 2} to the parent zinc borophosphate glass results in a decrease of glass transition temperature associated with the replacement of stronger P-O and B-O bonds by weaker Te-O bonds. Chemical durability of glasses reveals a minimum at the glass containing 10 mol% TeO{sub 2}, but with further additions of TeO{sub 2} it improves and the glasses with a high TeO{sub 2} content reveal better durability than the parent zinc borophosphate glass.

  16. 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)

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

    CERN Document Server

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

    1999-01-01

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

  18. 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.

  19. 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.

  20. Perovskite phases in the systems AO-SE/sub 2/O/sub 3/-UO/sub 2,x/ with A=alkaline earth metal and SE=rare earths, La, and Y. VII. The systems Ba/sub 2/CaUO/sub 6/-Ba/sub 2/Gd/sub 0. 67/UO/sub 6/ and Ba/sub 2/CaUO/sub 6/-Ba/sub 2/Y/sub 0. 67/UO/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Kemmler-Sack, S; Seemann, I; Schittenhelm, H J [Tuebingen Univ. (F.R. Germany). Institut fuer Anorganische Chemie

    1976-05-01

    The ordered perovskite Ba/sub 2/CaUO/sub 6/ forms a solid solution series with Ba/sub 2/Gdsub(0.67)UO/sub 6/ and Ba/sub 2/Ysub(0.67)UO/sub 6/, respectively. The deviations from the ideal behaviour are studied by X-ray, diffuse reflectance and vibrational methods.

  1. Perovskite phases in the systems AO-SE/sub 2/O/sub 3/-UO/sub 2,x/ with A=alkaline earth metal and SE=rare earths, La, and Y. IX. The systems Ba/sub 2/SrUO/sub 6/-Ba/sub 2/Gd/sub 0. 67/UO/sub 6/ and Ba/sub 2/SrUO/sub 6/-Ba/sub 2/Y/sub 0. 67/UO/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Kemmler-Sack, S; Seemann, I [Tuebingen Univ. (F.R. Germany). Inst. fuer Anorganische Chemie I

    1976-07-01

    The ordered perovskite Ba/sub 2/SrUO/sub 6/ forms a solid solution series with Ba/sub 2/Gdsub(0.67)UO/sub 6/ and Ba/sub 2/Ysub(0.67)UO/sub 6/ respectively. The deviations from the ideal behaviour are studied by X-ray, diffuse reflectance and vibrational methods.

  2. High-pressure pyrolysis study of C sub 3 N sub 6 H sub 6 : a route to preparing bulk C sub 3 N sub 4

    CERN Document Server

    Ma, H A; Chen, L X; Zhu, P W; Guo, W L; Guo, X B; Wang, Y D; Li, S Q; Zou Guang Tian; Zhang, G; Bex, P

    2002-01-01

    In order to prepare bulk C sub 3 N sub 4 , high-pressure pyrolysis of melamine (C sub 3 N sub 6 H sub 6) at different temperatures was carried out. The products were characterized by C, N, H element analysis, Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy, and x-ray diffractometry. The results of the analysis reveal that graphitic phase C sub 3 N sub 4 has been synthesized. It provides a novel route to synthesis of the theoretical superhard cubic C sub 3 N sub 4 and other C sub 3 N sub 4 phases from organic compounds by a high-pressure and high-temperature method.

  3. Buffer layers for growth of the YBa sub 2 Cu sub 3 O sub 7 sub - sub x films on silicon

    CERN Document Server

    Razumov, S V

    2001-01-01

    The results of the studies on the structural characteristics of the SrTiO sub 3 , NdGaO sub 3 and CeO sub 2 buffer layers, obtained through the ion-plasma spraying on the silicon substrates, are presented. It is shown that the phase composition and internal stresses in the films are strongly dependent on the deposition temperature. The technological conditions of growth of primarily oriented SrTiO sub 3 , NdGaO sub 3 and CeO sub 2 films are dortmund. The structural quality of the obtained buffer films is sufficient for further growth of the YBa sub 2 Cu sub 3 O sub 7 sub - sub x high-quality films on the silicon substrates

  4. Charged-Higgs on R{sub D}{sup {sub (}{sub *}{sub )}}, τ polarization, and FBA

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Chuan-Hung [National Cheng-Kung University, Department of Physics, Tainan (China); Nomura, Takaaki [KIAS, School of Physics, Seoul (Korea, Republic of)

    2017-09-15

    We study the influence of a charged-Higgs on the excess of branching fraction ratio, R{sub M} = BR(anti B → Mτ anti ν{sub τ})/BR(anti B → Ml anti ν{sub l}) (M = D, D*), in a generic two-Higgs-doublet model. In order to investigate the lepton polarization, the detailed decay amplitudes with lepton helicity are given. When the charged-Higgs is used to resolve excesses, it is found that two independent Yukawa couplings are needed to explain the R{sub D} and R{sub D*} anomalies. We show that when the upper limit of BR(B{sub c} → τ anti ν{sub τ}) < 30% is included, R{sub D} can be significantly enhanced while R{sub D*} < 0.27. With the BR(B{sub c} → τ anti ν{sub τ}) constraint, we find that the τ-lepton polarizations can be still affected by the charged-Higgs effects, where the standard model (SM) predictions are obtained: P{sup τ}{sub D} ∼ 0.324 and P{sup τ}{sub D*} ∼ -0.500, and they can be enhanced to be P{sup τ}{sub D} ∼ 0.5 and P{sup τ}{sub D*} ∼ -0.41 by the charged-Higgs. The integrated lepton forward-backward asymmetry (FBA) is also studied, where the SM result is anti A{sup D{sup ({sup *{sup ),τ}{sub FB}}}} ∼ -0.359(0.064), and they can be enhanced (decreased) to be anti A{sup D{sup ({sup *{sup ),τ}{sub FB}}}} ∼ -0.33(0.02). (orig.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-06-15

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

  6. Equilibrium diagram of KPO{sub 3}-Y(PO{sub 3}){sub 3} system, chemical preparation and characterization of KY(PO{sub 3}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Jouini, Anis; Ferid, Mokhtar; Trabelsi-Ayadi, Malika

    2003-04-17

    Microdifferential thermal analysis ({mu}-DTA), X-ray diffraction (XRD) and infrared (IR) spectroscopy were used for the first time to investigate the liquidus and solidus relations in the KPO{sub 3}-Y(PO{sub 3}){sub 3} system. The only compound observed within the system was KY(PO{sub 3}){sub 4} melting incongruently at 1033 K. An eutectic appears at 13.5 mol% Y(PO{sub 3}){sub 3} at 935 K, the peritectic occurs at 1033 K and the phase transition for potassium polyphosphate KPO{sub 3} was observed at 725 K. Three monoclinic allotropic phases of the single crystals were obtained. KY(PO{sub 3}){sub 4} polyphosphate has the P2{sub 1} space group with lattice parameters: a=7.183(4) A, b=8.351(6) A, c=7.983(3) A, {beta}=91.75(3) deg. and Z=2 is isostructural with KNd(PO{sub 3}){sub 4}. The second allotropic form of KY(PO{sub 3}){sub 4} belongs to the P2{sub 1}/n space group with lattice parameters: a=10.835(3) A, b=9.003(2) A, c=10.314(1) A, {beta}=106.09(7) deg. and Z=4 and is isostructural with TlNd(PO{sub 3}){sub 4}. The IR absorption spectra of the two forms show a chain polyphosphates structure. The last modification of KYP{sub 4}O{sub 12} crystallizes in the C2/c space group with lattice parameters: a=7.825(3) A, b=12.537(4) A, c=10.584(2) A, {beta}=110.22(7) deg. and Z=4 is isostructural with RbNdP{sub 4}O{sub 12} and contains cyclic anions. The methods of chemical preparations, the determination of crystallographic data and IR spectra for these compounds are reported.

  7. AOI [3] High-Temperature Nano-Derived Micro-H<sub>2sub> and - H<sub>2sub>S Sensors

    Energy Technology Data Exchange (ETDEWEB)

    Sabolsky, Edward M. [West Virginia Univ., Morgantown, WV (United States)

    2014-08-01

    The emissions from coal-fired power plants remain a significant concern for air quality. This environmental challenge must be overcome by controlling the emission of sulfur dioxide (SO<sub>2sub>) and hydrogen sulfide (H<sub>2sub>S) throughout the entire coal combustion process. One of the processes which could specifically benefit from robust, low cost, and high temperature compatible gas sensors is the coal gasification process which converts coal and/or biomass into syngas. Hydrogen (H<sub>2sub>), carbon monoxide (CO) and sulfur compounds make up 33%, 43% and 2% of syngas, respectively. Therefore, development of a high temperature (>500°C) chemical sensor for in-situ monitoring of H<sub>2sub>, H<sub>2sub>S and SO2<sub>2sub> levels during coal gasification is strongly desired. The selective detection of SO<sub>2sub>/H>2sub>S in the presence of H<sub>2sub>, is a formidable task for a sensor designer. In order to ensure effective operation of these chemical sensors, the sensor system must inexpensively function within harsh temperature and chemical environment. Currently available sensing approaches, which are based on gas chromatography, electrochemistry, and IR-spectroscopy, do not satisfy the required cost and performance targets. This work focused on the development microsensors that can be applied to this application. In order to develop the high- temperature compatible microsensor, this work addressed various issues related to sensor stability, selectivity, and miniaturization. In the research project entitled “High-Temperature Nano-Derived Micro-H<sub>2sub> and -H<sub>2sub>S Sensors”, the team worked to develop micro-scale, chemical sensors and sensor arrays composed of nano-derived, metal-oxide composite materials to detect gases like H<sub>2sub>, SO<sub>2sub>, and H<sub>2sub>S within high-temperature environments (>500°C). The research was completed in collaboration with NexTech Materials, Ltd. (Lewis Center, Ohio). Nex

  8. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-06-10

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

  10. 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.

  11. System of Sr(NO sub 2 ) sub 2 -Sr(OH) sub 2 -H sub 2 O at 25 deg C. Sistema Sr(NO sub 2 ) sub 2 -H sub 2 O pri 25 grad C

    Energy Technology Data Exchange (ETDEWEB)

    Popova, T B; Berdyukova, V A; Khutsistova, F M [Kalmytskij Gosudarstvennyj Univ., Ehlista (USSR) Rostovskij-na-Donu Gosudarstvennyj Univ., Rostov-na-Donu (USSR)

    1990-02-01

    Sr(NO{sub 2}){sub 2}-Sr(OH){sub 2}-H{sub 2}O system was investigated by the methods of solubility, density, viscosity, electric conductivity and refractometry. It was established that its compoments form the compound 4Sr(NO{sub 2}){sub 2}xSr(OH){sub 2}x8H{sub 2}O. The compound was separated from solution; its density, decomposition temperature were determined; IR spectra and X-ray patterns of prepared and initial compounds were obtained.

  12. Formation, stability and structural characterization of ternary MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) complexes

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jun-Yeop; Yun, Jong-Il [KAIST, Daejeon (Korea, Republic of). Dept. of Nuclear and Quantum Engineering; Vespa, Marika; Gaona, Xavier; Dardenne, Kathy; Rothe, Joerg; Rabung, Thomas; Altmaier, Marcus [Karlsruhe Institute of Technology, Karlsruhe (Germany). Inst. for Nuclear Waste Disposal

    2017-06-01

    The formation of ternary Mg-UO{sub 2}-CO{sub 3} complexes under weakly alkaline pH conditions was investigated by time-resolved laser fluorescence spectroscopy (TRLFS) and extended X-ray absorption fine structure (EXAFS) and compared to Ca-UO{sub 2}-CO{sub 3} complexes. The presence of two different Mg-UO{sub 2}-C{sub 3} complexes was identified by means of two distinct fluorescence lifetimes of 17±2 ns and 51±2 ns derived from the multi-exponential decay of the fluorescence signal. Slope analysis in terms of fluorescence intensity coupled with fluorescence intensity factor as a function of log [Mg(II)] was conducted for the identification of the Mg-UO{sub 2}-CO{sub 3} complexes forming. For the first time, the formation of both MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) species was confirmed and the corresponding equilibrium constants were determined as log β {sub 113}=25.8±0.3 and β {sub 213}=27.1±0.6, respectively. Complementarily, fundamental structural information for both Ca-UO{sub 2}-CO{sub 3} and Mg-UO{sub 2}-CO{sub 3} complexes was gained by extended EXAFS revealing very similar structures between these two species, except for the clearly shorter U-Mg distance (3.83 Aa) compared with U-Ca distance (4.15 Aa). These results confirmed the inner-sphere character of the Ca/Mg-UO{sub 2}-CO{sub 3} complexes. The formation constants determined for MgUO{sub 2}(CO{sub 3}){sub 3}{sup 2-} and Mg{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) species indicate that ternary Mg-UO{sub 2}-CO{sub 3} complexes contribute to the relevant uranium species in carbonate saturated solutions under neutral to weakly alkaline pH conditions in the presence of Mg(II) ions, which will induce notable influences on the U(VI) chemical species under seawater conditions.

  13. Magnetic ordering of Hf{sub 3}Ni{sub 2}Si{sub 3}-type {Sm, Tb, Er}{sub 3}Co{sub 2}Ge{sub 3} and {Tb, Ho}{sub 3}Ni{sub 2}Ge{sub 3} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, Moscow, GSP-1, 119991 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil); Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Isnard, O. [CNRS, Institut. Néel, 25 rue des Martyrs BP166 x, F-38042 Grenoble (France); Université Grenoble Alpes, Inst. Néel, F-38042 Grenoble (France)

    2017-02-15

    The magnetic ordering of Hf{sub 3}Ni{sub 2}Si{sub 3}-type {Sm, Tb, Er}{sub 3}Co{sub 2}Ge{sub 3} and {Tb, Ho}{sub 3}Ni{sub 2}Ge{sub 3} compounds (space group Cmcm, oC32) was investigated via magnetization measurements and neutron diffraction study in a zero-applied field. {Sm, Tb, Er}{sub 3}Co{sub 2}Ge{sub 3} and Ho{sub 3}Ni{sub 2}Ge{sub 3} exhibit field sensitive complex antiferromagnetic orderings with T{sub N}=51 K, T{sub m}=10 K for Sm{sub 3}Co{sub 2}Ge{sub 3}, T{sub N}=34 K, T{sub m}=13 K for Tb{sub 3}Co{sub 2}Ge{sub 3}, T{sub N}=7 K for Er{sub 3}Co{sub 2}Ge{sub 3} and T{sub N}=11 K for Ho{sub 3}Ni{sub 2}Ge{sub 3}. At 2 K and above the critical field of ~5 kOe, 20 kOe, 4 kOe and 7 kOe for Sm{sub 3}Co{sub 2}Ge{sub 3}, Tb{sub 3}Co{sub 2}Ge{sub 3}, Er{sub 3}Co{sub 2}Ge{sub 3} and Ho{sub 3}Ni{sub 2}Ge{sub 3}, respectively, saturation magnetizations per rare-earth atom are 6.5 μ{sub B} for Tb{sub 3}Co{sub 2}Ge{sub 3}, 7.0 μ{sub B} for Er{sub 3}Co{sub 2}Ge{sub 3} and 8.0 μ{sub B} for Ho{sub 3}Ni{sub 2}Ge{sub 3} in the field of 140 kOe, whereas magnetization of Sm{sub 3}Co{sub 2}Ge{sub 3} has an antiferromagnetic behaviour. The isothermal magnetic entropy change, ΔS{sub m}, indicates a field-induced ferromagnetic ordering in Sm{sub 3}Co{sub 2}Ge{sub 3}, Tb{sub 3}Co{sub 2}Ge3, Er{sub 3}Co{sub 2}Ge{sub 3} and Ho{sub 3}Ni{sub 2}Ge{sub 3} with a maximal ΔS{sub m} value of −10.9 J/kg K for Ho{sub 3}Ni{sub 2}Ge{sub 3} at 11 K for a field change of 50 kOe. In a zero-applied magnetic field, below T{sub N}=33 K and down to T{sub m}{sup ND}=15 K Tb{sub 3}Ni{sub 2}Ge{sub 3} shows an ac-antiferromagnetic ordering with the C2′/c magnetic space group, a K{sub 0}=[0, 0, 0] propagation vector and a a{sub Tb3Ni2Ge3}×b{sub Tb3Ni2Ge3}×c{sub Tb3Ni2Ge3} magnetic unit cell. Below T{sub m}{sup ND}=15 K, its magnetic structure is a sum of the ac-antiferromagnetic component with the C2′/c magnetic space group of the K{sub 0} vector and a sine-modulated a

  14. Properties of Si{sub n}, Ge{sub n}, and Si{sub n}Ge{sub n} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Yi; Rehman, Habib ur; Springborg, Michael [Physical and Theoretical Chemistry, University of Saarland, 66123 Saarbrücken (Germany)

    2015-01-22

    The structures of Si{sub n}, Ge{sub n}, and Si{sub n}Ge{sub n} clusters with up to 44 atoms have been determined theoretically using an unbiased structure-optimization method in combination with a parametrized, density-functional description of the total energy for a given structure. By analyzing the total energy in detail, particularly stable clusters are identified. Moreover, general trends in the structures are identified with the help of specifically constructed descriptors.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-25

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

  16. On ternary intermetallic aurides. CaAu{sub 2}Al{sub 2}, SrAu{sub 2-x}Al{sub 2+x} and Ba{sub 3}Au{sub 5+x}Al{sub 6-x}

    Energy Technology Data Exchange (ETDEWEB)

    Stegemann, Frank [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Benndorf, Christopher [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Institut fuer Physikalische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Institut fuer Mineralogie, Kristallographie und Materialwissenschaften, Universitaet Leipzig (Germany); Zhang, Yuemei; Fokwa, Boniface P.T. [Department of Chemistry, University of California, Riverside, CA (United States); Bartsch, Manfred; Zacharias, Helmut [Physikalisches Institut, Westfaelische Wilhelms-Universitaet Muenster (Germany); Eckert, Hellmut [Institut fuer Physikalische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos, SP (Brazil); Janka, Oliver [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Institut fuer Chemie, Carl von Ossietzky Universitaet Oldenburg (Germany)

    2017-11-17

    The intermetallic compound CaAu{sub 2}Al{sub 2}, and the members of the solid solutions SrAu{sub 2-x}Al{sub 2+x} (0 ≤ x ≤ 0.33) and Ba{sub 3}Au{sub 5+x}Al{sub 6-x} (x = 0, 0.14, 0.49) were synthesized from the elements in sealed tantalum ampoules. The Ca compound crystallizes with the orthorhombic ThRu{sub 2}P{sub 2} type structure, whereas the targeted SrAu{sub 2}Al{sub 2} was found to form a solid solution according to SrAu{sub 2-x}Al{sub 2+x}. For the Ba system no ''BaAu{sub 2}Al{sub 2}'' was found, however, Ba{sub 3}Au{sub 5+x}Al{sub 6-x} was discovered to crystallize in the monoclinic space group C2/c with its own structure type. The samples were investigated by powder X-ray diffraction and their crystal structures were refined on the basis of single-crystal X-ray diffraction data. All compounds were characterized furthermore by susceptibility measurements. The crystallographic aluminum sites of CaAu{sub 2}Al{sub 2} and Ba{sub 3}Au{sub 5}Al{sub 6} can be differentiated by {sup 27}Al solid state NMR spectra on the basis of their different electric field gradients, in agreement with theoretical calculations. The electron transfer from the alkaline earth metals and the aluminum atoms onto the gold atoms was investigated by X-ray photoelectron spectroscopy (XPS) classifying these intermetallics as aurides, in full agreement with the calculated Bader charges. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-15

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

  18. Li{sub 35}Ln{sub 9}Si{sub 30}N{sub 59}O{sub 2}F with Ln = Ce, Pr - highly condensed nitridosilicates

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-10-15

    The isotypic nitridosilicates Li{sub 35}Ln{sub 9}Si{sub 30}N{sub 59}O{sub 2}F (Ln = Ce, Pr) were synthesized by reaction of LnF{sub 3} and LiN{sub 3} with Si(NH){sub 2} in liquid lithium flux in weld shut tantalum ampoules. The crystal structures of the isotypic compounds were solved and refined on the basis of single-crystal X-ray diffraction (P anti 3c1 (no. 165), Z = 2; Li{sub 35}Ce{sub 9}Si{sub 30}N{sub 59}O{sub 2}F:, a = 1479.9(2), c = 1538.3(3) pm, R{sub 1} = 0.0526, 1671 data, 175 parameters; Li{sub 35}Pr{sub 9}Si{sub 30}N{sub 59}O{sub 2}F: a = 1477.3(2), c = 1533.9(3) pm, R{sub 1} = 0.0441, 1331 data, 175 parameters). The silicate substructure represents a 3D network of all side corner sharing SiN{sub 4} tetrahedra. At one discrete and not condensed mixed anion position an atomic ratio O:F = 2:1 is assumed in order to achieve charge neutrality. With an atomic ratio Si:N = 30:59, the degree of condensation of the silicate substructure is slightly above κ = 1/2. Accordingly, there are triply crosslinking N{sup [3]} atoms in the silicate substructure. The obtained structures prove that by employing the lithium flux technique not only nitridosilicates with a low degree of condensation can be obtained by using rather mild reaction conditions at low temperatures. Lattice energy calculations (MAPLE) and EDX measurements confirmed the electrostatic bonding interactions and the chemical composition. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Is alpha-V<sub>2sub>O>5sub> a cathode material for Mg insertion batteries?

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-01

    When designing a high energy density battery, one of the critical features is a high voltage, high capacity cathode material. In the development of Mg batteries, oxide cathodes that can reversibly intercalate Mg, while at the same time being compatible with an electrolyte that can deposit Mg reversibly are rare. Herein, we report the compatibility of Mg anodes with a-V<sub>2sub>O>5sub> by employing magnesium bis(trifluoromethane sulfonyl)imide in diglyme electrolytes at very low water levels. Electrolytes that contain a high water level do not reversibly deposit Mg, but interestingly these electrolytes appear to enable much higher capacities for an a-V<sub>2sub>O>5sub> cathode. Solid state NMR indicates that the major source of the higher capacity in high water content electrolytes originates from reversible proton insertion. In contrast, we found that lowering the water level of the magnesium bis(trifluoromethane sulfonyl)imide in diglyme electrolyte is critical to achieve reversible Mg deposition and direct evidence for reversible Mg intercalation is shown. Findings we report here elucidate the role of proton intercalation in water-containing electrolytes and clarify numerous conflicting reports of Mg insertion into a-V<sub>2sub>O>5sub>.

  20. The structure of Na sub 3 H sub 2 As sub 3 O sub 10. Structure d'un triarseniate: Na sub 3 H sub 2 As sub 3 O sub 10

    Energy Technology Data Exchange (ETDEWEB)

    Driss, A.; Jouini, T. (Tunis Univ. (Tunisia). Dept. de Chimie)

    1990-07-15

    Na{sub 3}H{sub 2}As{sub 3}O{sub 10}, M{sub r}=455.75, monoclinic, C2/c, a=10.860 (3), b=9.323 (3), c=18.270 (5) A, {beta}=103.00 (2)deg, V=1802 (1) A{sup 3}, Z=8, D{sub x}=3.27, D{sub m} (in bromobenzene) = 3.30 Mg m{sup -3}, {lambda}(Mo K anti {alpha})=0.7107 A, {mu}=11.5 mm{sup -1}, F(000)=1712, room temperature, final R=0.035 and wR=0.038 for 578 reflections. This structure contains a triarsenate anion H{sub 2}As{sub 3}O{sub 10}{sup 3-} formed from three AsO{sub 4} tetrahedra pointing in the same direction. They are connected by hydrogen bonds to form layers parallel to held (10anti 1) together by interleaved Na{sup +} cations. Only few triarsenate structures are known. The corresponding phosphate is unknown. An explanation is proposed. (orig.).

  1. Non-conventional magnetic order in Fe-substituted La sub 0 sub . sub 7 Sr sub 0 sub . sub 3 MnO sub 3 giant-magnetoresistance manganites

    CERN Document Server

    Barandiaran, J M; Hernandez, T; Plazaola, F; Rojo, T

    2002-01-01

    Magnetization measurements and Moessbauer spectrometry have been performed on La sub 0 sub . sub 7 Sr sub 0 sub . sub 3 Mn sub 1 sub - sub x Fe sub x O sub 3 (x = 0.01, 0.05, 0.1, 0.2, 0.30), to clarify the local magnetic order around Fe sup 3 sup + ions. As Mn atoms are substituted for with Fe, the magnetic structure dramatically changes, because the ferromagnetic double-exchange chain is broken. At 4.2 K all compounds are magnetically ordered with large hyperfine fields. For x = 0.05 ferromagnetic and paramagnetic phases coexist over a large temperature range. Magnetic ordering occurs in a double step. Superparamagnetic effects are observed, and can explain part of this atypical ordering process, but there is evidence of segregation and clustering of Fe, even at this low concentration.

  2. Ferroelectric TGS ((NH sub 2 CH sub 2 COOH) sub 3 centre dot H sub 2 SO sub 4) under high pressure

    CERN Document Server

    Kobayashi, Y; Furuta, H; Endo, S; Deguchi, K

    2002-01-01

    The ferroelectric transition temperature T sub c of (NH sub 2 CH sub 2 COOH) sub 3 centre dot H sub 2 SO sub 4 (TGS), which is a typical order-disorder-type ferroelectric, was determined by dielectric constant and Raman scattering measurements under high pressure. T sub c increased, passed through a maximum and then decreased slightly with increasing pressure, and then abruptly dropped at about 2.5 GPa, where a transition to a new high-pressure phase was confirmed to exist. A tentative p-T phase diagram was proposed for TGS.

  3. 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.

  4. Electronic structure and vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Adichtchev, S.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Bazarov, B.G.; Bazarova, Zh.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Gavrilova, T.A. [Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Grossman, V.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, Novosibirsk, 630090 (Russian Federation); Meng, G.S. [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Key Laboratory of Quantum Information, University of Science and Technology of China, Chinese Academy of Sciences, Hefei, Anhui 230026 (China); Lin, Z.S., E-mail: zslin@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Surovtsev, N.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2013-03-15

    Graphical abstract: With the KRbAl{sub 2}B{sub 2}O{sub 7} powder formed by solid state synthesis (left), Raman spectrum (right upper) and XPS valence electronic states (right lower) were measured, agreed with the first-principles results. Highlights: ► KRbAl{sub 2}B{sub 2}O{sub 7} powder was obtained by solid state synthesis. ► Vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7} were determined by unpolarized Raman spectrum. ► Electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} were measured by XPS. ► Experimental electronic structure is consistent with the first-principles result. ► KRbAl{sub 2}B{sub 2}O{sub 7} has a noticeable refractive indices increase and small NLO effects decrease compared to K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. - Abstract: The physical properties of KRbAl{sub 2}B{sub 2}O{sub 7} have been considered in comparison with those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7} and Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The vibrational parameters of KRbAl{sub 2}B{sub 2}O{sub 7} have been measured by Raman spectroscopy as very similar to those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} have been evaluated by X-ray photoelectron spectroscopy and ab initio computations using CASTEP package. A noticeable refractive indices increase and small decrease of nonlinear optical properties have been found in KRbAl{sub 2}B{sub 2}O{sub 7} in reference to optical parameters of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}.

  5. Luminescence and luminescence quenching of Sr{sub 3}Lu{sub 2}(Si{sub 3}O{sub 9}){sub 2}:Ce{sup 3+} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Mikalauskaite, I.; Raudonyte-Svirbutaviciene, E. [Institute of Chemistry, Faculty of Chemistry and Geosciences, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania); Linkeviciute, A. [State Research Institute, Centre for Physical Sciences and Technology, Sauletekio Avenue 3, LT-10257 Vilnius (Lithuania); Urbonas, M. [Institute of Chemistry, Faculty of Chemistry and Geosciences, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania); Katelnikovas, A., E-mail: arturas.katelnikovas@chf.vu.lt [Institute of Chemistry, Faculty of Chemistry and Geosciences, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania)

    2017-04-15

    A series of near-UV to blue emitting Sr{sub 3}Lu{sub 2}(Si{sub 3}O{sub 9}){sub 2}:Ce{sup 3+} phosphors were prepared by a solid state reaction. The optical properties of synthesized phosphors were investigated as a function of Ce{sup 3+} concentration and temperature. These luminescent materials strongly absorb UV radiation shorter than 360 nm. The optimal Ce{sup 3+} concentration was 0.1% (external quantum efficiency ca. 45%). Temperature dependent measurements showed that Sr{sub 3}Lu{sub 2}(Si{sub 3}O{sub 9}){sub 2}:Ce{sup 3+} phosphors possess good thermal stability and loses only about 40% to 50% of initial intensity in the temperature range of 77–500 K depending on activator concentration.

  6. Photoluminescence and optical absorption spectra of {gamma}{sub 1}-(Ga{sub x}In{sub 1-x}){sub 2}Se{sub 3} mixed crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kranjcec, M. [Department of Geotechnics, University of Zagreb, 7 Hallerova Aleja, Varazdin, 42000 (Croatia); Ruder Boskovic Institute, 54 Bijenicka Cesta, Zagreb, 10000 (Croatia); Studenyak, I.P. [Uzhhorod National University, 46 Pidhirna Str., Uzhhorod, 88000 (Ukraine); Azhniuk, Yu. M. [Institute of Electron Physics, Ukr. Nat. Acad. Sci., 21 Universytetska Str., Uzhhorod, 88000 (Ukraine)

    2005-08-01

    Temperature and compositional studies of photoluminescence and optical absorption edge spectra of {gamma}{sub 1}-(Ga{sub x}In{sub 1-x}){sub 2}Se{sub 3} mixed crystals with x=0.1-0.4 are performed. Exciton and impurity-related photoluminescence bands are revealed at low temperatures and Urbach shape of the absorption edge is observed in the temperature range 77-300 K. Temperature and compositional dependences of the photoluminescence band spectral positions and halfwidths as well as optical pseudogap and absorption edge energy width are investigated. Mechanisms of radiative recombination and optical absorption as well as crystal lattice disordering processes in {gamma}{sub 1}-(Ga{sub x}In{sub 1-x}){sub 2}Se{sub 3} solid solutions are studied. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-03-15

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

  8. {sup 57}Fe Mössbauer spectroscopic studies of single-crystalline K{sub x}Fe{sub 2-y}S{sub 2} and K{sub x}Fe{sub 2-y}Se{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tsuchiya, Yuu, E-mail: tsuchiya.yuu1990@gmail.com; Ikeda, Shugo; Kobayashi, Hisao [University of Hyogo (Japan)

    2016-12-15

    We have investigated the physical properties of single-crystalline K{sub x}Fe{sub 2-y}S{sub 2} and K{sub x}Fe{sub 2-y}Se{sub 2} samples using {sup 57}Fe Mössbauer spectroscopy. The observed {sup 57}Fe Mössbauer spectra were reconstructed using a major antiferromagnetic ordered K{sub 2}Fe{sub 4}Se{sub 5} phase and a minor paramagnetic phase down to 5 K, despite being superconducting below 32.2 K in K{sub x}Fe{sub 2-y}Se{sub 2}. The analysis of {sup 57}Fe Mössbauer spectrum for K{sub x}Fe{sub 2-y}S{sub 2} at 290 K confirms the presence of a major antiferromagnetic ordered K{sub 2}Fe{sub 4}S{sub 5} phase and a minor paramagnetic phase in the K{sub x}Fe{sub 2-y}S{sub 2} single crystal. The derived hyperfine interaction parameters of the paramagnetic phase in K{sub x}Fe{sub 2-y}S{sub 2} suggest that the microstructure of this phase in K{sub x}Fe{sub 2-y}S{sub 2} is similar to that of the superconducting phase in K{sub x}Fe{sub 2-y}Se{sub 2} although the K{sub x}Fe{sub 2-y}S{sub 2} single crystals exhibit no superconductivity down to 5 K.

  9. Measurement of the B0<sub>s> lifetime using the semileptonic decay channel B0<sub>s> → D-<sub>s>μ+vX

    Energy Technology Data Exchange (ETDEWEB)

    Lizarraga, Marco Antonio Carrasco [National Polytechnic Inst. (IPN), Zacatenco (Mexico). Centre for Research and Advanced Studies (CINVESTAV)

    2009-11-01

    We report a measurement of the B0<sub>s> lifetime in the semileptonic decay channel BB0<sub>s> → D-<sub>s>μ+vX (and its charge conjugate), using approximately 0.4 fb-1 of data collected with the DØ detector during 2002–2004. Using 5176 reconstructed D-<sub>s> μ+ signal events, we have measured the B0<sub>s> lifetime to be τ (B0<sub>s>) = 1.398 ± 0.044 (stat)+0.028 <sub>-0.025sub> (syst) ps. This is the most precise measurement of the B0<sub>s> lifetime to date.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-05-15

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

  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. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-12-13

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

  14. Anti-bombing insensitivity life of molybdenum cathode doped with La{sub 2}O{sub 3} and Y{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Wang Jinshu [School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022 (China)]. E-mail: wangjsh@bjut.edu.cn; Wang Yiman [School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022 (China); Zhou Meiling [School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022 (China)

    2006-03-15

    Anti-bombing insensitivity of La{sub 2}O{sub 3}-Y{sub 2}O{sub 3}-Mo secondary emitter has been studied in this paper. The variation of maximum secondary emission coefficient {delta} {sub max} with time was measured. The cathode after life experiment was analyzed by means of HRM, SEM, EDS and XRD. The results showed that {delta} {sub max} of La{sub 2}O{sub 3}-Y{sub 2}O{sub 3}-Mo cathode operating at 1100 deg. C under continuous electron bombardment of 300 W/cm{sup 2} was still about 2.5 after 1000 h operation, indicating that this kind of cathode had good anti-bombing insensitivity. In the internal part of the cathode, RE{sub 2}O{sub 3} (rare earth oxide) and molybdenum grains distributed alternately and there existed a certain relationship between crystallographic orientation of RE{sub 2}O{sub 3} and that of molybdenum. It was found that a RE{sub 2}O{sub 3} layer was formed on the surface after operation. The high {delta} {sub max} of La{sub 2}O{sub 3}-Y{sub 2}O{sub 3}-Mo cathode was related to the RE{sub 2}O{sub 3} layer on the surface and the amount of nanosized La{sub 2}O{sub 3} particles on the Y{sub 2}O{sub 3} layer.

  15. Critical currents of Y sub 1 Ba sub 2 Cu sub 3 O sub 7-. delta. ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Vasiliev, B V; Obukhov, Yu V [Joint Inst. for Nuclear Research, Low Temperature Physics Dept., Moscow (USSR)

    1991-12-01

    The magnetization measurements on a ceramic YBaCuO sample were carried out. The M(H,T) dependence has demonstrated some peculiarities which we suppose to be connected with H{sub j1}, H{sub j2}, H{sub C1} fields. By analizing the magnetization in the field region between H{sub j1} and H{sub j2} within the frame of the critical state model one can found the dependence of the intergranular critical current density on field and temperature. (orig.).

  16. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

  18. Synthesis, structure and electronic configuration of [Rh{sub 6}Te{sub 8}(PPh{sub 3}){sub 6}].4C{sub 6}H{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Thiele, Guenther; Balmer, Markus [Marburg Univ. (Germany). Fachbereich Chemie; Dehnen, Stefanie [Marburg Univ. (Germany). Fachbereich Chemie and Wissenschaftliches Zentrum fuer Materialwissenschaften

    2016-08-01

    [Rh{sub 6}Te{sub 8}(PPh{sub 3}){sub 6}].4C{sub 6}H{sub 6}, the first compound with a molecular Chevrel-type [Rh{sub 6}Te{sub 8}] cluster core has been synthesized and structurally characterized. By means of quantum chemical calculation, the close relationship of its electronic configuration to that of the lighter homologue has been demonstrated. The different crystal solvent content prevents an isostructural crystallization.

  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. 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.

  1. Evolution of the pi g sub 9 sub / sub 2 x nu h sub 1 sub 1 sub / sub 2 configuration in the neutron-rich sup 1 sup 1 sup 0 sup , sup 1 sup 1 sup 2 sub 4 sub 5 Rh and sup 1 sup 1 sup 4 sup , sup 1 sup 1 sup 6 sub 4 sub 7 Ag isotopes

    CERN Document Server

    Porquet, M G; Deloncle, I; Venkova, T; Astier, A; Buforn, N; Meyer, M; Prevost, A; Redon, N; Stezowski, O; Donadille, L; Dorvaux, O; Gall, B J P; Schulz, N; Lalkovski, S; Lucas, R; Minkova, A

    2003-01-01

    The sup 1 sup 1 sup 0 sup , sup 1 sup 1 sup 2 Rh and sup 1 sup 1 sup 4 sup , sup 1 sup 1 sup 6 Ag nuclei have been produced as fission fragments in the fusion reaction sup 1 sup 8 O+ sup 2 sup 0 sup 8 Pb at 85 MeV. Their level schemes have been built from gamma-rays detected using the Euroball IV array. High-spin states of these neutron-rich nuclei have been identified for the first time. The yrast structures consist of rotational bands in which the odd proton occupies the pi g sub 9 sub / sub 2 sub-shell and the odd neutron the nu h sub 1 sub 1 sub / sub 2 sub-shell. The evolution of the pi g sub 9 sub / sub 2 x nu h sub 1 sub 1 sub / sub 2 band structure is analyzed as a function of the neutron number.

  2. Photocatalytic activity of Bi{sub 2}WO{sub 6}/Bi{sub 2}S{sub 3} heterojunctions: the facilitation of exposed facets of Bi{sub 2}WO{sub 6} substrate

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Long [School of Chemistry and Chemical Engineering, Yulin University, Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization, Yulin 71900 (China); School of Chemistry and Chemical Engineering, Yan’an University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan’an 716000 (China); Wang, Yufei [School of Chemistry and Chemical Engineering, Yulin University, Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization, Yulin 71900 (China); Shen, Huidong; Zhang, Yu [School of Chemistry and Chemical Engineering, Yan’an University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan’an 716000 (China); Li, Jian [School of Chemistry and Chemical Engineering, Yulin University, Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization, Yulin 71900 (China); Wang, Danjun, E-mail: yulyanlong@aliyun.com [School of Chemistry and Chemical Engineering, Yan’an University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan’an 716000 (China)

    2017-01-30

    Highlights: • Bi{sub 2}S{sub 3}/Bi{sub 2}WO{sub 6} hybrids with exposed (020) Bi{sub 2}WO{sub 6} facets have been synthesized. • X-ray photoelectron spectroscopy reveals that a small amount of Bi{sub 2}S{sub 3} was formed. • The enhanced photoactivity of hybrids is due to heterojunction and (020) facets. • A possible photocatalytic degradation mechanism is proposed. - Abstract: Bi{sub 2}S{sub 3}/Bi{sub 2}WO{sub 6} hybrid architectures with exposed (020) Bi{sub 2}WO{sub 6} facets have been synthesized via a controlled anion exchange approach. X-ray photoelectron spectroscopy (XPS) reveals that a small amount of Bi{sub 2}S{sub 3} was formed on the surface of Bi{sub 2}WO{sub 6} during the anion exchange process, thus leading to the transformation from the Bi{sub 2}WO{sub 6} to Bi{sub 2}S{sub 3}/Bi{sub 2}WO{sub 6}. A rhodamine B (RhB) aqueous solution was chosen as model organic pollutants to evaluate the photocatalytic activities of the Bi{sub 2}S{sub 3}/Bi{sub 2}WO{sub 6} catalysts. Under visible light irradiation, the Bi{sub 2}S{sub 3}/Bi{sub 2}WO{sub 6}-TAA displayed the excellent visible light photoactivities compared with pure Bi{sub 2}S{sub 3}, Bi{sub 2}WO{sub 6} and other composite photocatalysts. The efficient photocatalytic activity of the Bi{sub 2}S{sub 3}/Bi{sub 2}WO{sub 6}-TAA composite microspheres was ascribed to the constructed heterojunctions and the inner electric field caused by the exposed (020) Bi{sub 2}WO{sub 6} facets. Active species trapping experiments revealed that h{sup +} and O{sub 2}·{sup −} are the main active species in the photocatalytic process. Furthermore, the as-obtained photocatalysts showed good photocatalytic activity after four recycles. The results presented in this study provide a new concept for the rational design and development of highly efficient photocatalysts.

  3. 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.

  4. 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).

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-10-15

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

  6. Carbonate hydrates of the heavy alkali metals: preparation and structure of Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O; Carbonat-Hydrate der schweren Alkalimetalle: Darstellung und Struktur von Rb{sub 2}CO{sub 3} . 1,5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Cirpus, V.; Wittrock, J.; Adam, A. [Koeln Univ. (Germany). Inst. fuer Anorganische Chemie

    2001-03-01

    Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O and Cs{sub 2}CO{sub 3} . 3 H{sub 2}O were prepared from aqueous solution and by means of the reaction of dialkylcarbonates with RbOH and CsOH resp. in hydrous alcoholes. Based on four-circle diffractometer data, the crystal structures were determined (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O: C2/c (no. 15), Z = 8, a = 1237.7(2) pm, b = 1385.94(7) pm, c = 747.7(4) pm, {beta} = 120.133(8) , V{sub EZ} = 1109.3(6) . 10{sup 6} pm{sup 3}; Cs{sub 2}CO{sub 3} . 3 H{sub 2}O: P2/c (no. 13), Z = 2, a = 654.5(2) pm, b = 679.06(6) pm, c = 886.4(2) pm, {beta} = 90.708(14) , V{sub EZ} = 393.9(2) . 10{sup 6} pm{sup 3}). Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O is isostructural with K{sub 2}CO{sub 3} . 1.5 H{sub 2}O. In case of Cs{sub 2}CO{sub 3} . 3 H{sub 2}O no comparable structure is known. Both structures show {sub {infinity}}{sup 1}[(CO{sub 3}{sup 2-})(H{sub 2}O)]-chains, being connected via additional H{sub 2}O forming columns (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O) and layers (Cs{sub 2}CO{sub 3} . 3 H{sub 2}O), respectively. (orig.)

  7. Microstrucural characterization of gas atomized Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} and Fe{sub 97}Si{sub 3} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Escorial, A., E-mail: age@cenim.csic.es [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lieblich, M. [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lopez, M.; Marin, P. [Instituto de Magnetismo Aplicado, P.O. Box 155, 28230 Madrid (Spain)

    2011-06-15

    Research highlights: > Two FeSi-base alloys as precursors for small dimension soft magnets. > Small particles rapidly solidified by gas atomisation. > Increase effective magnetic anisotropy constant by alloying segregation. > Magnetic hardenning due to volume decrease. - Abstract: Powder particles of Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} and Fe{sub 97}Si{sub 3} soft magnetic alloys have been prepared by gas atomization. The gas atomized powder was microstructurally characterized and the dependence of coercivity with the composition and powder particle size investigated. As-atomized powder particles of both compositions were constituted by a bcc {alpha}-Fe (Si) solid solution. The Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} powder particles presented a grain microstructure with dendrite structure, which dendrite arms were enriched in Nb. The coercivity increased as the particle size decreased, with a minimum coercivity, of 5 Oe, measured in the Fe{sub 97}Si{sub 3} alloy in the range of 50-100 {mu}m powder particle size. The coercive fields were quite higher in the Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} than in the Fe{sub 97}Si{sub 3} powder, due to the Nb addition, which produced a phase segregation that leads to a noticeable magnetic hardening.

  8. 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.

  9. Enhancing visible light photocatalytic and photocharge separation of (BiO){sub 2}CO{sub 3} plate via dramatic I{sup −} ions doping effect

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Lei [College of Chemistry and Materials Science, Huaibei Normal University, Huaibei, 235000, Anhui (China); Cao, Jing [College of Chemistry and Materials Science, Huaibei Normal University, Huaibei, 235000, Anhui (China); Anhui Collaborative Innovation Center of Advanced Functional Composite, Huaibei, 235000, Anhui (China); Lin, Haili, E-mail: linhaili@mail.ipc.ac.cn [College of Chemistry and Materials Science, Huaibei Normal University, Huaibei, 235000, Anhui (China); Guo, Xiaomin; Zhang, Meiyu [College of Chemistry and Materials Science, Huaibei Normal University, Huaibei, 235000, Anhui (China); Chen, Shifu, E-mail: chshifu@chnu.edu.cn [College of Chemistry and Materials Science, Huaibei Normal University, Huaibei, 235000, Anhui (China); College of Chemistry and Materials Engineering, Anhui Science and Technology University, Fengyang, 233100, Anhui (China)

    2016-08-15

    Highlights: • Novel I-(BiO){sub 2}CO{sub 3} was prepared by a facile chemical precipitation method. • I{sup −} ions impurity level located on the top of valence band of (BiO){sub 2}CO{sub 3}. • I{sup −} ions doping largely improved photocatalytic activity of I-(BiO){sub 2}CO{sub 3}. • I-(BiO){sub 2}CO{sub 3} displayed excellent photocharge separation efficiency. - Abstract: Novel I{sup −} ions doped (BiO){sub 2}CO{sub 3} (I-(BiO){sub 2}CO{sub 3}) photocatalysts were successfully synthesized via a facile chemical precipitation method. Under visible light (λ > 400 nm), I-(BiO){sub 2}CO{sub 3} displayed much higher activity for rhodamine B and dichlorophenol degradation than the undoped (BiO){sub 2}CO{sub 3}. The pseudo-first-order rate constant k{sub app} of RhB degradation over 15.0% I-(BiO){sub 2}CO{sub 3} was 0.54 h{sup −1}, which is 11.3 times higher than that of (BiO){sub 2}CO{sub 3}. The doped I{sup −} ions formed an impurity level on the top of valence band of (BiO){sub 2}CO{sub 3} and induced much more visible light to be absorbed. The enhanced photocurrent and surface photovoltage properties were detected, which strongly ensures the efficient separation of electrons and holes in I-(BiO){sub 2}CO{sub 3} system under visible light. It provides a facile way to improve the photocatalytic activity of the wide-band-gap (BiO){sub 2}CO{sub 3} via intense doping effect of I{sup −} ions.

  10. Microwave dielectric properties of CaCu{sub 3}Ti{sub 4}O{sub 12}-Al{sub 2}O{sub 3} composite

    Energy Technology Data Exchange (ETDEWEB)

    Rahman, Mohd Fariz Ab; Abu, Mohamad Johari; Zaman, Rosyaini Afindi; Ahmad, Zainal Arifin [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Karim, Saniah Ab; Mohamed, Julie Juliewatty, E-mail: juliewatty.m@umk.edu.my [Advance Materials Research Cluster, Faculty of Earth Sciences, Universiti Malaysia Kelantan, Jeli Campus, 17600 Jeli, Kelantan (Malaysia); Ain, Mohd Fadzil [School of Electrical and Electronic Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia)

    2016-07-19

    (1-x)CaCu{sub 3}Ti{sub 4}O{sub 12} + (x)Al{sub 2}O{sub 3} composite (0 ≤ x ≤0.25) was prepared via conventional solid-state reaction method. The fabrication of sample was started with synthesizing stoichiometric CCTO from CaCO{sub 3}, CuO and TiO{sub 2} powders, then wet-mixed in deionized water for 24 h. The process was continued with calcined CCTO powder at 900 °C for 12 h before sintered at 1040 °C for 10 h. Next, the calcined CCTO powder with different amount of Al{sub 2}O{sub 3} were mixed for 24 h, then palletized and sintered at 1040 °C for 10. X-ray diffraction analysis on the sintered samples showed that CCTO powder was in a single phase, meanwhile the trace of secondary peaks which belong to CaAl{sub 2}O{sub 4} and Corundum (Al{sub 2}O{sub 3}) could be observed in the other samples Scanning electron microscopy analysis showed that the grain size of the sample is firstly increased with addition of Al{sub 2}O{sub 3} (x = 0.01), then become smaller with the x > 0.01. Microwave dielectric properties showed that the addition of Al{sub 2}O{sub 3} (x = 0.01) was remarkably reduced the dielectric loss while slightly increased the dielectric permittivity. However, further addition of Al{sub 2}O{sub 3} was reduced both dielectric loss and permittivity at least for an order of magnitude.

  11. Kinetic Study of Oxygen Adsorption over Nanosized Au/γ-Al<sub>2sub>O>3sub> Supported Catalysts under Selective CO Oxidation Conditions

    Directory of Open Access Journals (Sweden)

    George Karaiskakis

    2012-04-01

    Full Text Available O<sub>2sub> adsorption is a key process for further understanding the mechanism of selective CO oxidation (SCO on gold catalysts. Rate constants related to the elementary steps of O<sub>2sub> adsorption, desorption and surface bonding, as well as the respective activation energies, over a nanosized Au/γ-Al<sub>2sub>O>3sub> catalyst, were determined by Reversed-Flow Inverse Gas Chromatography (RF-IGC. The present study, carried-out in a wide temperature range (50–300 °C, both in excess as well as in the absence of H<sub>2sub>, resulted in mechanistic insights and kinetic as well as energetic comparisons, on the sorption processes of SCO reactants. In the absence of H<sub>2sub>, the rate of O<sub>2sub> binding, over Au/γ-Al<sub>2sub>O>3sub>, drastically changes with rising temperature, indicating possible O<sub>2sub> dissociation at elevated temperatures. H<sub>2sub> facilitates stronger O<sub>2sub> bonding at higher temperatures, while low temperature binding remains practically unaffected. The lower energy barriers observed, under H<sub>2sub> rich conditions, can be correlated to O<sub>2sub> dissociation after hydrogenation. Although, H<sub>2sub> enhances both selective CO reactant’s desorption, O<sub>2sub> desorption is more favored than that of CO, in agreement with the well-known mild bonding of SCO reactant’s at lower temperatures. The experimentally observed drastic change in the strength of CO and O<sub>2sub> binding is consistent both with well-known high activity of SCO at ambient temperatures, as well as with the loss of selectivity at higher temperatures.

  12. Kinetics of the Formation and Dissociation of Gas Hydrates from CO<sub>2sub>-CH>4sub> Mixtures

    Directory of Open Access Journals (Sweden)

    Devinder Mahajan

    2012-07-01

    Full Text Available Sequestration of carbon dioxide (CO<sub>2sub> in the form of its hydrates in natural methane (CH<sub>4sub> hydrate reservoirs, via CO<sub>2sub>/CH>4sub> exchange, is an attractive pathway that also yields valuable CH<sub>4sub> gas as product. In this paper, we describe a macroscale experiment to form CO<sub>2sub> and CH<sub>4sub>-CO>2sub> hydrates, under seafloor-mimic conditions, in a vessel fitted with glass windows that provides visualization of hydrates throughout formation and dissociation processes. Time resolved pressure and temperature data as well as images of hydrates are presented. Quantitative gas conversions with pure CO<sub>2sub>, calculated from gas chromatographic measurements yielded values that range from 23 – 59% that correspond to the extent of formed hydrates. In CH<sub>4sub>-rich CH<sub>4sub>-CO>2sub> mixed gas systems, CH<sub>4sub> hydrates were found to form preferentially.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-11-15

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

  14. A neutron diffraction study of the superionic transition in (Ca sub 1 sub - sub x Y sub x)F sub 2 sub + sub x with x=0.06

    CERN Document Server

    Hofmann, M; Wilson, C C; McIntyre, G J

    1997-01-01

    We have investigated the high-temperature superionic transition of the anion-excess fluorite (Ca sub 1 sub - sub x Y sub x)F sub 2 sub + sub x with x=0.06 using both monochromatic and time-of-flight Laue single-crystal neutron diffraction. The measured Bragg intensities indicate that the cuboctahedral defect clusters found at ambient temperature start to break up into smaller fragments even below the superionic transition temperature, T sub c approx 1200 K. Information concerning the local defect configuration at T = 1173 K has been provided by modelling the measured distribution of the coherent elastic diffuse scattering within the (11-bar0) plane of reciprocal space. The high-temperature defects are of the 'Willis' type and strongly resemble the short-lived Frenkel clusters found in the pure fluorites such as CaF sub 2 above T sub c. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-08-12

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

  16. Synthesis and characterization of Cu{sub 3}TaIn{sub 3}Se{sub 7} and CuTa{sub 2}InTe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Calderon, E.; Munoz-Pinto, M.; Duran-Pina, S.; Quintero, M.; Quintero, E.; Morocoima, M. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida (Venezuela); Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida (Venezuela); Romero, H. [Laboratorio de Magnetismo, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida (Venezuela); Briceno, J.M.; Fernandez, J. [Laboratorio de Analisis Quimico y Estructural (LAQUEM), Departamento de Fisica, Facultad de Ciencias, Merida (Venezuela); Grima-Gallardo, P.

    2008-07-15

    Polycrystalline samples of Cu{sub 3}TaIn{sub 3}Se{sub 7} and CuTa{sub 2}InTe{sub 4} were synthesized by the usual melt and anneal technique. X-ray powder diffraction showed a single phase behavior for both samples with tetragonal symmetry and unit cell parameter values a=5.794{+-}0.002 A, c=11.66{+-}0.01 A, c/a=2.01, V=391{+-}1 A{sup 3} and a=6.193{+-}0.001 A, c=12.400 {+-}0.002A, c/a=2.00, V=475{+-}1 A{sup 3}, respectively. Differential thermal analysis (DTA) measurements suggested a complicated behavior near the melting point with several thermal transitions observed in the heating and cooling runs. From the shape of the DTA peaks it was deduced that the melting is incongruent for both materials. Magnetic susceptibility measurements (zero-field cooling and field cooling) indicated an antiferromagnetic character with transition temperatures of T=70 K (Cu{sub 3}TaIn{sub 3}Se{sub 7}) and 42 K (CuTa{sub 2}InTe{sub 4}). A spin-glass transition was observed in Cu{sub 3}TaIn{sub 3}Se{sub 7} with T{sub f}{approx}50 K. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Effect of iron content on the structure and mechanical properties of Al{sub 25}Ti{sub 25}Ni{sub 25}Cu{sub 25} and (AlTi){sub 60-x}Ni{sub 20}Cu{sub 20}Fe{sub x} (x=15, 20) high-entropy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Fazakas, É., E-mail: eva.fazakas@bayzoltan.hu [WPI-Advaced Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan); Wigner Research Center for Physics, Hungarian Academy of Sciences, H-1525, P.O.B. 49 (Hungary); Bay Zoltán Nonprofit Ltd., For Applied Research H-1116 Budapest, Fehérvári út 130 (Hungary); Zadorozhnyy, V. [National University of Science and Technology «MISIS», Leninsky prosp., 4, Moscow 119049 (Russian Federation); Louzguine-Luzgin, D.V. [WPI-Advaced Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan)

    2015-12-15

    Highlights: • Three new refractory alloys namely: Al{sub 25}Ti{sub 25}Ni{sub 25}Cu{sub 25}, Al{sub 22.5}Ti{sub 22.5}Ni{sub 20}Cu{sub 20}Fe{sub 15} and Al{sub 20}Ti{sub 20}Ni{sub 20}Cu{sub 20}Fe{sub 20}, were produced by induction-melting and casting. • This kind of alloys exhibits high resistance to annealing softening. • Most the alloys in the annealed state possess even higher Vickers microhardness than the as-cast alloys. • The Al{sub 22.5}Ti{sub 22.5}Ni{sub 20}Cu{sub 20}Fe{sub 15} and Al{sub 20}Ti{sub 20}Ni{sub 20}Cu{sub 20}Fe{sub 20} alloys annealed at 973 K show the highest compressive stress and ductility values. - Abstract: In this work, we investigated the microstructure and mechanical properties of Al{sub 25}Ti{sub 25}Ni{sub 25}C{sub u25} Al{sub 22.5}Ti{sub 22.5}Ni{sub 20}Cu{sub 20}Fe{sub 15} and Al{sub 20}Ti{sub 20}Ni{sub 20}Cu{sub 20}Fe{sub 20} high entropy alloys, produced by arc melting and casting in an inert atmosphere. The structure of these alloys was studied by X-ray diffractometry and scanning electron microscopy. The as-cast alloys were heat treated at 773, 973 and 1173 K for 1800 s to investigate the effects of aging on the plasticity, hardness and elastic properties. Compared to the conventional high-entropy alloys the Al{sub 25}Ti{sub 25}Ni{sub 25}Cu{sub 25}, Al{sub 22.5}Ti{sub 22.5}Ni{sub 20}Cu{sub 20}Fe{sub 15} and Al{sub 20}Ti{sub 20}Ni{sub 20}Cu{sub 20}Fe{sub 20} alloys are relatively hard and ductile. Being heat treated at 973 K the Al{sub 22.5}Ti{sub 22.5}Ni{sub 20}Cu{sub 20}Fe{sub 15} alloy shows considerably high strength and relatively homogeneous deformation under compression. The plasticity, hardness and elastic properties of the studied alloys depend on the fraction and intrinsic properties of the constituent phases. Significant hardening effect by the annealing is found.

  18. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-15

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

  20. Influence of Rare Earth Elements on Microstructure and Mechanical Properties of Mg{sub 97}Zn{sub 1}Y{sub 1}RE{sub 1} Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jonghyun, E-mail: joindoc@kumamoto-u.ac.jp [Department of Material Science, Magnesium Research Center (MRC), Kumamoto University, Kumamoto, 860-8555 (Japan); Kawamura, Y. [Department of Material Science, Magnesium Research Center (MRC), Kumamoto University, Kumamoto, 860-8555 (Japan)

    2013-06-20

    Mg{sub 97}Zn{sub 1}Y{sub 1}RE{sub 1} (RE=La, Ce, Nd and Sm, at. %) alloys were prepared by high-frequency induction melting in an Ar atmosphere. Rods were extruded at 623 K and a ram speed of 2.5 mm·s{sup −1} using a circular die with an extrusion ratio of 10. The microstructure and mechanical properties of the extruded alloys were investigated. The Mg{sub 97}Zn{sub 1}Y{sub 1}Nd{sub 1} and Mg{sub 97}Zn{sub 1}Y{sub 1}Sm{sub 1} alloys consisted of only two phases: α-Mg and a Mg-RE intermetallic compound. The Mg{sub 97}Zn{sub 1}Y{sub 1}La{sub 1} and Mg{sub 97}Zn{sub 1}Y{sub 1}Ce{sub 1} alloys consisted of three phases: α-Mg, a Mg-RE intermetallic compound, and a Mg{sub 12}ZnY phase with a long-period stacking ordered (LPSO) phase. Additionally, after extrusion, the three-phase Mg{sub 97}Zn{sub 1}Y{sub 1}RE{sub 1} alloys, i.e., those with an LPSO phase, had a stratified microstructure and exhibited better mechanical properties than those without an LPSO. At room temperature, the yield strength and ultimate tensile strength of the three-phase Mg{sub 97}Zn{sub 1}Y{sub 1}La{sub 1} and Mg{sub 97}Zn{sub 1}Y{sub 1}Ce{sub 1} alloys were 381–384 MPa and 427–429 MPa, respectively, and yield strengths greater than 280 MPa were observed at the elevated temperature of 523 K.

  1. Synthesis, crystal structure, optical, and electronic study of the new ternary thorium selenide Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Prakash, Jai [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Mesbah, Adel [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule-Bât. 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Beard, Jessica [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036), Institut Jean Barriol, Université de Lorraine, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy (France); Malliakas, Christos D. [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States)

    2015-11-15

    The compound Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. Its crystal structure features one-dimensional chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. Each Th atom in these chains is coordinated to two Se–Se single-bonded pairs and four Se atoms to give rise to a pseudooctahedral geometry around Th. The Th–Se distances are consistent with Th{sup 4+} and hence charge balance of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is achieved as 3×Ba{sup 2+}, 1×Th{sup 4+}, 3×Se{sup 2−}, and 2×Se{sub 2}{sup 2−}. From optical measurements the band gap of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is 1.96(2) eV. DFT calculations indicate that the compound is a semiconductor. - Graphical abstract: Local coordination environment of Th atoms in the Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} structure. - Highlights: • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. • The structure features chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is a semiconductor with a band gap of 1.96(2) eV.

  2. Formation of Self-Assembled Ba<sub>2sub>YNbO>6sub> Nanocolumns and their Contribution to Flux-Pinning and J<sub>c> in Nb-doped YBa<sub>2sub>Cu>3sub>O>7- sub> Films

    Energy Technology Data Exchange (ETDEWEB)

    Wee, Sung Hun [ORNL; Goyal, Amit [ORNL; Zuev, Yuri L [ORNL; Cantoni, Claudia [ORNL; Selvamanickam, V. [SuperPower Incorporated, Schenectady, New York; Specht, Eliot D [ORNL

    2010-01-01

    Ba{sub 2}RENbO{sub 6} (RE = rare earth elements including Y) compounds are considered new additives for superior flux-pinning in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} (YBCO) films due to their excellent chemical inertness to and large lattice mismatches with YBCO. Simultaneous laser ablation of a YBCO target and a Nb metal foil attached to the surface of the target resulted in epitaxial growth of YBCO films having columnar defects comprised of self-aligned Ba{sub 2}YNbO{sub 6} (BYNO) nanorods parallel to the c-axis of the film. Compared to pure YBCO, YBCO+BYNO films exhibited no T{sub c} reduction as well as superior J{sub c} performance with higher self- and in-field J{sub c} by a factor of 1.5-7 and also exhibited a strong J{sub c} peak for H {parallel} c indicative of strong c-axis correlated flux-pinning.

  3. 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.

  4. Hexagonal perovskites with cationic vacancies. 21. Structure of Ba/sub 4/Nb/sub 2/WvacantO/sub 12/ and Ba/sub 3/LaNb/sub 3/vacantO/sub 12/

    Energy Technology Data Exchange (ETDEWEB)

    Rother, H J; Kemmler-Sack, S; Treiber, U; Cyris, W R [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1980-07-01

    Compounds of type Ba/sub 4/M/sub 2/sup(V)WvacantO/sub 12/ and Ba/sub 3/LaM/sub 3/sup(V)vacantO/sub 12/ with Msup(V) = Nb, Ta belong to the group of rhombohedral 12 L stacking polytypes (space group R-3m, sequence (hhcc)/sub 3/). The structure determinations on powder patterns for the Nb compounds gave a refined, intensity related R' value of 6.3% (Ba/sub 4/Nb/sub 2/WvacantO/sub 12/) and 6.6% (Ba/sub 3/LaNb/sub 3/vacantO/sub 12/). The octahedral net consists of blocks of three face connected octahedra with a central void (M/sub 2/vacantO/sub 12/ unit), which are linked to each other through single corner sharing octahedra. In both compounds the M atoms in the M/sub 2/vacantO/sub 12/ groups are displaced in the direction of the central void. The A atoms move in the same direction but the dislocation for A in the hexagonal packed sheets (neighbouring the vacancies) is stronger than in the cubic packed AO/sub 3/ sheets. The results of the vibrational spectroscopic investigations are reported for Ba/sub 4/Nb/sub 2/WvacantO/sub 12/, Ba/sub 4/Ta/sub 2/WvacantO/sub 12/, Ba/sub 3/LaNb/sub 3/vacantO/sub 12/ and Ba/sub 4/CeW/sub 2/vacantO/sub 12/; they are discussed in connection with the factor group analysis.

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

    CSIR Research Space (South Africa)

    Wen, L

    2015-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-10-01

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

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

    CERN Document Server

    Hiraoka, K; Tomiyoshi, S

    2003-01-01

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

  8. CO{sub 2} separation

    Energy Technology Data Exchange (ETDEWEB)

    Hakuta, Toshikatu [National Inst. of Materials and Chemical Research, Ibaraki (Japan)

    1993-12-31

    The climate change induced by CO{sub 2} and other greenhouse gases is probably the most serious environmental threat that mankind has ever experienced. Nowadays fossil fuels occupy the majority of the world commercial energy supply. Most nations will be dependent on fossil fuels even in the first half of the next century. Around 30 % of CO{sub 2} in the world is emitted from thermal power plants. Recovering CO{sub 2} from energy conversion processes and storing it outside the atmosphere is a promising option for the mitigation of global warming. CO{sub 2} fixation and storage include CO{sub 2} disposal into oceans and underground, and utilization of CO{sub 2}. CO{sub 2} separation process will be used in any CO{sub 2} storage system, and is estimated to consume almost half the energy of the total system. Research and development of highly efficient CO{sub 2} separation process is most important from the viewpoint of practical application of CO{sub 2} fixation system.

  9. Facile synthesis of Ba<sub>1-xsub>Kx>Fe₂As₂ superconductors via hydride route

    Energy Technology Data Exchange (ETDEWEB)

    Zaikina, Julia V. [Univ. of California at Davis, Davis, CA (United States); Batuk, Maria [Univ. of Antwerp, Antwerp (Belgium); Abakumov, Artem M. [Univ. of Antwerp, Antwerp (Belgium); Navrotsky, Alexandra [Univ. of California at Davis, Davis, CA (United States); Kauzlarich, Susan M. [Univ. of California at Davis, Davis, CA (United States)

    2014-12-03

    We have developed a fast, easy, and scalable synthesis method for Ba<sub>1-xsub>Kx>Fe₂As₂ (0 ≤ x ≤ 1) superconductors using hydrides BaH₂ and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba<sub>1-xsub>Kx>Fe₂As₂ obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature T<sub>c> upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction.

  10. Determination of the enthalpy of fusion of K{sub 3}TaF{sub 8} and K{sub 3}TaOF{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Kosa, L. [Institute of Inorganic Chemistry, Slovak Academy of Sciences, SK-845 36 Bratislava (Slovakia)]. E-mail: uachkosa@savba.sk; Mackova, I. [Institute of Inorganic Chemistry, Slovak Academy of Sciences, SK-845 36 Bratislava (Slovakia)

    2006-08-15

    The areas of the fusion and crystallization peaks of K{sub 3}TaF{sub 8} and K{sub 3}TaOF{sub 6} have been measured using the DSC mode of the high-temperature calorimeter (SETARAM 1800 K). On the basis of these quantities and the temperature dependence of the used calorimetric method sensitivity, the values of the enthalpy of fusion of K{sub 3}TaF{sub 8} at temperature of fusion 1039 K: {delta}{sub fus} H {sub m}(K{sub 3}TaF{sub 8}; 1039 K) = (52 {+-} 2) kJ mol{sup -1} and of K{sub 3}TaOF{sub 6} at temperature of fusion 1055 K: {delta}{sub fus} H {sub m}(K{sub 3}TaOF{sub 6}; 1055 K) = (62 {+-} 3) kJ mol{sup -1} have been determined.

  11. Al{sub 2}O{sub 3} reinforced nanoparticle ZrO{sub 2} (3at%?Y{sub 2}O{sub 3}); Al{sub 2}O{sub 3} reforcado com nanoparticulas de ZrO{sub 2}(3%mol Y{sub 2}O{sub 3})

    Energy Technology Data Exchange (ETDEWEB)

    Cossu, C.M.F.A.; Alves, M.F.R.P.; Campos, L.Q.B.; Magnago, R.O.; Santos, C., E-mail: caio.cossu@usp.br [Universidade do Estado do Rio de Janeiro (UERJ), Resende, RJ (Brazil). Faculdade de Tecnologia; Simba, B.G. [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Guaratingueta, SP (Brazil). Faculdade de Engenharia

    2016-07-01

    This work developed a composite Al{sub 2}O{sub 3}-based reinforced with nanoparticles of ZrO{sub 2} (Y{sub 2}O{sub 3}), to evaluate the effect of the content of ZrO{sub 2} nanoparticles (Y{sub 2}O{sub 3}) on the mechanical properties. Mixtures containing a matrix of Al{sub 2}O{sub 3} with fractions in weight of 3%, 5%, 10% and 15%, ZrO{sub 2} (Y{sub 2}O{sub 3}), and were mixed in mortar mill. Mixtures received 5% polymeric binder (PVA); and after adding the binder, the material was pressed uniaxially to 50MPa, and then sintered at a temperature of 1600 ° C - 2h. The sintered products were characterized by X-ray diffraction, scanning electron microscopy (SEM), relative density, hardness and fracture toughness. The results of X-ray diffraction showed that Al{sub 2}O{sub 3} and tetragonal ZrO{sub 2} as crystal phases found after sintering. Furthermore, the relative green density of 55% was predominant in the compact; and after sintering, varied depending on the ZrO{sub 2} content, reaching 97% in sintered compositions with 3% ZrO{sub 2} nanoparticles (Y{sub 2O}3). The hardness of the samples showed values of 1670HV and the maximum toughness of 3.2 MPa × m{sup 1/2}, directly influenced by the presence of nanoparticles ZrO{sub 2} uniformly dispersed in the matrix Al{sub 2}O{sub 3}, which results in at least two main mechanisms tenacifiers: transformation of tetragonal-monoclinic phase of zirconia, and compressive residual strain between the two phases present, Al{sub 2}O{sub 3} and tetragonal ZrO{sub 2}. (author)

  12. Synthesis, characterization, and comparative gas-sensing properties of Fe{sub 2}O{sub 3} prepared from Fe{sub 3}O{sub 4} and Fe{sub 3}O{sub 4}-chitosan

    Energy Technology Data Exchange (ETDEWEB)

    Cuong, Nguyen Duc [Faculty of Hospitality and Tourism, Hue University, 22 Lam Hoang, Vy Da Ward, Hue City (Viet Nam); College of Sciences, Hue University, 77 Nguyen Hue, Phu Nhuan Ward, Hue City (Viet Nam); International Training Institute for Materials Science (ITIMS), Hanoi University of Science and Technology (HUST), Hanoi (Viet Nam); Hoa, Tran Thai; Khieu, Dinh Quang [College of Sciences, Hue University, 77 Nguyen Hue, Phu Nhuan Ward, Hue City (Viet Nam); Lam, Tran Dai [Institute of Materials Science, Vietnamese Academy of Science and Technology, Hanoi (Viet Nam); Hoa, Nguyen Duc [International Training Institute for Materials Science (ITIMS), Hanoi University of Science and Technology (HUST), Hanoi (Viet Nam); Van Hieu, Nguyen, E-mail: hieu@itims.edu.vn [International Training Institute for Materials Science (ITIMS), Hanoi University of Science and Technology (HUST), Hanoi (Viet Nam)

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer We have demonstrated a facile method to prepare Fe{sub 3}O{sub 4} nanoparticles and chitosan-coated Fe{sub 3}O{sub 4} nanoparticles. Black-Right-Pointing-Pointer {alpha}-Fe{sub 2}O{sub 3} sensors prepared from those Fe{sub 3}O{sub 4} materials have been investigated and compared. Black-Right-Pointing-Pointer The results show potential application of {alpha}-Fe{sub 2}O{sub 3} for CO sensors in environmental monitoring. - Abstract: In this paper, Fe{sub 3}O{sub 4} and chitosan (CS)-coated Fe{sub 3}O{sub 4} nanoparticles were synthesized via co-precipitation method and subsequent covalent binding of CS onto the surface for functionalization, respectively. Characterization of the crystal structures and morphologies of as-synthesized nanoparticles by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy demonstrated that Fe{sub 3}O{sub 4} had a cubic spinal structure with irregular shapes and average diameters of 10-20 nm. The surface states and magnetic properties of Fe{sub 3}O{sub 4}-CS nanoparticles were characterized by Fourier transform infrared spectra and vibrating sample magnetometry. Results showed that Fe{sub 3}O{sub 4}-CS nanoparticles possessed super-paramagnetic properties, with saturated magnetization up to 60 emu/g. In addition, Fe{sub 3}O{sub 4} and CS-coated Fe{sub 3}O{sub 4} nanoparticles were used in the fabrication of {alpha}-Fe{sub 2}O{sub 3} based gas sensors. Gas sensing measurements revealed that the {alpha}-Fe{sub 2}O{sub 3} gas sensor prepared from Fe{sub 3}O{sub 4}-CS had a better response to H{sub 2}, CO, C{sub 2}H{sub 5}OH, and NH{sub 3} compared with the device prepared from pristine Fe{sub 3}O{sub 4}. Furthermore, the {alpha}-Fe{sub 2}O{sub 3} sensor prepared from Fe{sub 3}O{sub 4}-CS nanoparticles exhibited the highest response to CO among the test gases, suggesting that it has great potential for practical applications in environmental monitoring.

  13. Mercury vacancies as divalent acceptors in Hg{sub y}Te{sub 1} {sub –} {sub y}/Cd{sub x}Hg{sub 1} {sub –} {sub x}Te structures with quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Kozlov, D. V., E-mail: dvkoz@ipmras.ru; Rumyantsev, V. V.; Morozov, S. V.; Kadykov, A. M.; Fadeev, M. A. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Varavin, V. S.; Mikhailov, N. N.; Dvoretsky, S. A. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation); Gavrilenko, V. I. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Teppe, F. [Laboratoire Charles Coulomb (L2C) (France)

    2016-12-15

    A long-wavelength band caused by transitions between states related to the valence band is detected in the photoconductivity spectra of Hg{sub y}Te{sub 1–y}/Cd{sub x}Hg{sub 1–x}Te (CMT) structures with quantum wells. The energy states of mercury vacancies in quantum wells of CMT structures is calculated taking into account a chemical shift. It is shown that the long-wavelength band observed in the photoconductivity spectra of these structures is associated with the ionization of divalent acceptor centers which are such vacancies.

  14. M<sub>5sub>Si>3sub>(M=Ti, Nb, Mo) Based Transition-Metal Silicides for High Temperature Applications

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhihong [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    Transition metal silicides are being considered for future engine turbine components at temperatures up to 1600 C. Although significant improvement in high temperature strength, room temperature fracture toughness has been realized in the past decade, further improvement in oxidation resistance is needed. Oxidation mechanism of Ti<sub>5sub>Si>3sub>-based alloys was investigated. Oxidation behavior of Ti<sub>5sub>Si>3sub>-based alloy strongly depends on the atmosphere. Presence of Nitrogen alters the oxidation behavior of Ti<sub>5sub>Si>3sub> by nucleation and growth of nitride subscale. Ti<sub>5sub>Si>3.2sub>and Ti<sub>5sub>Si>3sub>C>0.5sub> alloys exhibited an excellent oxidation resistance in nitrogen bearing atmosphere due to limited dissolution of nitrogen and increased Si/Ti activity ratio. MoSi<sub>2sub> coating developed by pack cementation to protect Mo-based Mo-Si-B composites was found to be effective up to 1500 C. Shifting coating composition to T1+T2+Mo<sub>3sub>Si region showed the possibility to extend the coating lifetime above 1500 C by more than ten times via formation of slow growing Mo<sub>3sub>Si or T2 interlayer without sacrificing the oxidation resistance of the coating. The phase equilibria in the Nb-rich portion of Nb-B system has been evaluated experimentally using metallographic analysis and differential thermal analyzer (DTA). It was shown that Nb<sub>ss> (solid solution) and NbB are the only two primary phases in the 0-40 at.% B composition range, and the eutectic reaction L {leftrightarrow} Nb<sub>SS> + NbB was determined to occur at 2104 ± 5 C by DTA.

  15. 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

  16. Sub-micron filter

    Science.gov (United States)

    Tepper, Frederick [Sanford, FL; Kaledin, Leonid [Port Orange, FL

    2009-10-13

    Aluminum hydroxide fibers approximately 2 nanometers in diameter and with surface areas ranging from 200 to 650 m.sup.2/g have been found to be highly electropositive. When dispersed in water they are able to attach to and retain electronegative particles. When combined into a composite filter with other fibers or particles they can filter bacteria and nano size particulates such as viruses and colloidal particles at high flux through the filter. Such filters can be used for purification and sterilization of water, biological, medical and pharmaceutical fluids, and as a collector/concentrator for detection and assay of microbes and viruses. The alumina fibers are also capable of filtering sub-micron inorganic and metallic particles to produce ultra pure water. The fibers are suitable as a substrate for growth of cells. Macromolecules such as proteins may be separated from each other based on their electronegative charges.

  17. Fuel sub-assembly

    International Nuclear Information System (INIS)

    Jolly, R.

    1988-01-01

    A nuclear fuel sub-assembly includes a hexagonal bundle of parallel, spaced apart fuel pins coupled at one end to an end-holding grid comprising a number of transverse spaced apart rails to each of which is connected a series of pin-receiving cells which render the pins axially captive with the rails. The series of cells are defined by a pair of metal strips each of which has a series of pocket formations such that when the pocket formations are in registry they define cylindrical shaped cells provided with internal projections which engage annular recesses in the end caps of the fuel pins to effect axial constraint of the pins. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-05-01

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

  19. Thermal analysis of chalcogenide glasses of the system (As/sub/2Se/sub/3)/sub/(1-x):(Tl/sub/2Se)/sub/x

    International Nuclear Information System (INIS)

    Majid, C.A.

    1987-01-01

    In this paper differential thermal analysis (DTA) measurements of chalcogenide glasses of the system (As/sub/2Se/sub/3)/sub/(1-x): (Tl/sub/2Se)/sub/x, with x=0, 0.125, 0.25 and 0.50 are reported. The glass-forming tendencies of these materials have been calculated. The glass-forming tendency of As/sub/2Se/sub/3 has been found to be the highest among the member glasses of this family of chalcogenides. It was found that the glass-forming tendency of As/sub/2Se/sub/3 decreasing gradually at the Tl/sub/2/Se concentration increases. Tl/sub/2Se additions lower the glass transition temperature T/sub/q and the area under the endothermic peak for glass transition temperature, suggesting a tendency for relatively weaker bonding and hence less stability of Tl-rich glass compositions. These studies show that Tl/sub/2Se concentrations result in glasses with progressively higher crystallization tendencies. (author)

  20. 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.

  1. Bi{sub 2}O{sub 3} cocatalyst improving photocatalytic hydrogen evolution performance of TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Difa; Hai, Yang; Zhang, Xiangchao; Zhang, Shiying; He, Rongan, E-mail: hslra@tom.com

    2017-04-01

    Highlights: • Bi-Bi{sub 2}O{sub 3}-anatase-rutile TiO{sub 2} multijunction photocatalyst was prepared. • Bi{sub 2}O{sub 3} quantum dots with size of 2–3 nm were uniformly distributed. • Improved H{sub 2} evolution was noticed in glycerol-water mixture. • Optimal amount of Bi{sub 2}O{sub 3} was found to be 0.89 mol%. - Abstract: Photocatalytic hydrogen production using water splitting is of potential importance from the viewpoint of renewable energy development. Herein, Bi{sub 2}O{sub 3}-TiO{sub 2} composite photocatalysts presented as Bi-Bi{sub 2}O{sub 3}-anatase-rutile TiO{sub 2} multijunction were first fabricated by a simple impregnation-calcination method using Bi{sub 2}O{sub 3} as H{sub 2}-production cocatalysts. The obtained multijunction samples exhibit an obvious enhancement in photocatalytic H{sub 2} evolution activity in the presence of glycerol. The effect of Bi{sub 2}O{sub 3} amount on H{sub 2}-evolution activity of TiO{sub 2} was investigated and the optimal Bi{sub 2}O{sub 3} content was found to be 0.89 mol%, achieving a H{sub 2}-production rate of 920 μmol h{sup −1}, exceeding that of pure TiO{sub 2} by more than 73 times. The enhanced mechanism of photocatalytic H{sub 2}-evolution activity is proposed. This study will provide new insight into the design and fabrication of TiO{sub 2}-based hydrogen-production photocatalysts using low-cost Bi{sub 2}O{sub 3} as cocatalyst.

  2. A comparative study of low-field magnetoresistance for La sub 2 sub / sub 3 Ca sub 1 sub / sub 3 Mn sub 1 sub - sub x Cu sub x O sub 3 (x = 0% and 4%) synthesized at different temperatures

    CERN Document Server

    Yuan, S L; Xia, Z C; Zhao, L F; Liu, L; Chen, W; Zhang, G H; Zhang, L J; Feng, W; Zhong, Q H; Liu, S

    2003-01-01

    Polycrystalline samples of nominal La sub 2 sub / sub 3 Ca sub 1 sub / sub 3 Mn sub 1 sub - sub x Cu sub x O sub 3 (x 0% and 4%) were fabricated by a sol-gel method following sintering treatments at temperature T sub s ranging between 1000 deg. C and 1300 deg. C. Experiments indicate that doping Cu does not cause a change in crystalline structure, but strongly affects transport and magnetoresistance (MR) properties. For lower T sub s , when a low magnetic field of H = 0.3 T, is applied, the x = 0 samples show typical intergrain MR behaviour with a monotonic increase in MR sub 0 (ident to DELTA rho/rho(H = 0)) on cooling; while for the x = 4% samples, in addition to intergrain MR, a characteristic feature similar to colossal MR (CMR) is observed near the insulator-metal transition. The maximum MR with a value approx 80% of that for H = 0.3 T is obtained in the sample prepared at 1100 deg. C, which is comparable to the intrinsic CMR response usually observed in large fields of the order of several teslas.

  3. Crystal structures of KM(AsF{sub 6}){sub 3} (M{sup 2+} = Mg, Co, Mn, Zn), KCu(SbF{sub 6}){sub 3} and [Co(HF){sub 2}]Sr[Sr(HF)]{sub 2}-[Sr(HF){sub 2}]{sub 2}[AsF{sub 6}]{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Mazej, Zoran; Goreshnik, Evgeny [Jozef Stefan Institute, Ljubljana (Slovakia). Dept. of Inorganic Chemisrty and Technology

    2015-05-01

    The KM(AsF{sub 6}){sub 3} (M{sup 2+} = Mg, Co, Mn, Zn) and KCu(SbF{sub 6}){sub 3} compounds crystallize isotypically to previously known KNi(AsF{sub 6}){sub 3}. The main features of the structure of these compounds are rings of MF{sub 6} octahedra sharing apexes with AsF{sub 6} octahedra connected into infinite tri-dimensional frameworks. In this arrangement cavities are formed where K{sup +} cations are placed. Single crystals of CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF were obtained as one of the products after the crystallization of 3KF/CoF{sub 2}/SrF{sub 2} mixture in the presence of AsF{sub 5} in anhydrous HF. The CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF is monoclinic, C/2c (No.15), with a = 26.773(5) Aa, b = 10.087(2) Aa, c = 21.141(5) Aa, β = 93.296(13) {sup circle}, V = 5699.9(19) Aa{sup 3} at 200 K, and Z = 4. There are three crystallographically non-equivalent Sr{sup 2+} cations in the crystal structure of CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF. The Sr1 is coordinated by ten fluorine atoms from eight different [AsF{sub 6}]- anions, meanwhile Sr2 and Sr3 are bound to nine fluorine atoms provided by one HF and eight AsF{sub 6} units or by two HF and six AsF{sub 6} units, respectively. The Co{sup 2+} is coordinated distorted-octahedrally by six fluorine atoms from two HF molecules and four different AsF{sub 6} units. All those moieties in the crystal structure of [Co(HF){sub 2}]Sr[Sr(HF)]{sub 2}[Sr(HF){sub 2}]{sub 2}[AsF{sub 6}]{sub 12} are connected into tridimensional framework. The CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF is a unique example of compound where HF molecules are directly bound via fluorine atoms to two different metal centres.

  4. Nb/sub 2/Te/sub 2/O/sub 9/ and Ta/sub 2/Te/sub 2/O/sub 9/: Two new mixed oxides of Te(IV)

    International Nuclear Information System (INIS)

    Gaitan, M.; Jerez, A.; Pico, C.; Veiga, M.L.

    1987-01-01

    Nb/sub 2/Te/sub 2/O/sub 9/ and Ta/sub 2/Te/sub 2/O/sub 9/ were prepared by solid state reactions between amorphous TeO/sub 3/(s) and metallic pentoxides of Nb and Ta. A crystallographic analysis carried out by X-ray diffraction showed that these compounds are isostructural (space group: P2/sub 1//C. a = 6.883 A, b = 7.853 A, c = 14.591 A, β = 103.66 for Nb/sub 2/Te/sub 2/O/sub 9/ and a = 7.10 A, b = 7.48 A, c = 14.62 A, β = 102.9 for Ta/sub 2/Te/sub 2/O/sub 9/). The IR spectra and thermal decomposition processes of both mixed oxides were studied

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1987-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-01-15

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

  7. Optimizing Blue Persistent Luminescence in (Sr <sub>1-δsub> Ba <sub>δ> ) <sub>2sub> MgSi <sub>2sub> O <sub>7:sub> Eu 2+ ,Dy 3+ via Solid Solution for Use in Point-of-Care Diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Finley, Erin; Cobb, Angelica; Duke, Anna; Paterson, Andrew; Brgoch, Jakoah (Luminostics); (Houston)

    2016-11-04

    Inorganic persistent luminescent phosphors are an excellent class of optical reporters for enabling sensitive point-of-care diagnostics, particularly with smartphone-based biosensing devices in testing formats such as the lateral flow assay (LFA). Here, the development of persistent phosphors for this application is focused on the solid solution (Sr<sub>1-δsub>Baδ)>2sub>MgSi>2sub>O>7sub>:Eu2+,Dy3+ (δ = 0, 0.125, 0.25, 0.375), which is prepared using a high-temperature solid-state reaction as confirmed by synchrotron X-ray powder diffraction. The substitution of barium for strontium enables control over the Eu2+ 5d-orbital crystal field splitting (CFS) as a tool for tuning the emission wavelength while maintaining luminescence lifetimes >9 min across the composition range. Thermoluminescence measurements of the solid solution provide evidence that trap states contribute to the persistent lifetimes with the trap depths also remaining constant as a function of composition. Time-gated luminescence images of these compounds are captured on a smartphone arranged in a layout to mimic a point-of-care test and demonstrate the viability of using these materials as optical reporters. Moreover, comparing the blue-emitting (Sr<sub>0.625sub>Ba>0.375sub>)>2sub>MgSi>2sub>O>7sub>:Eu2+,Dy3+ and the green-emitting SrAl<sub>2sub>O>4:sub>Eu2+,Dy3+ in a single LFA-type format shows these two compounds can be detected and resolved simultaneously, thereby permitting the development of a multiplexed LFA.

  8. Interfacial reactions of Ba{sub 2}YCu{sub 3}O{sub 6+z} with coated conductor buffer layer, LaMnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, G. [Ceramics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Wong-Ng, W., E-mail: winnie.wong-ng@nist.go [Ceramics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Kaduk, J.A. [Poly Crystallography Inc., Naperville, IL 60540 (United States); Cook, L.P. [Ceramics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

    2010-03-01

    Chemical interactions between the Ba{sub 2}YCu{sub 3}O{sub 6+x} superconductor and the LaMnO{sub 3} buffer layers employed in coated conductors have been investigated experimentally by determining the phases formed in the Ba{sub 2}YCu{sub 3}O{sub 6+x}-LaMnO{sub 3} system. The Ba{sub 2}YCu{sub 3}O{sub 6+x}-LaMnO{sub 3} join within the BaO-(Y{sub 2}O{sub 3}-La{sub 2}O{sub 3})-MnO{sub 2}-CuO{sub x} multi-component system is non-binary. At 810 deg. C (p{sub O2} = 100 Pa) and at 950 deg. C in purified air, four phases are consistently present along the join, namely, Ba{sub 2-x}(La{sub 1+x-y}Y{sub y})Cu{sub 3}O{sub 6+z}, Ba(Y{sub 2-x}La{sub x})CuO{sub 5}, (La{sub 1-x}Y{sub x})MnO{sub 3}, (La,Y)Mn{sub 2}O{sub 5}. The crystal chemistry and crystallography of Ba(Y{sub 2-x}La{sub x})CuO{sub 5} and (La{sub 1-x}Y{sub x})Mn{sub 2}O{sub 5} were studied using the X-ray Rietveld refinement technique. The Y-rich and La-rich solid solution limits for Ba(Y{sub 2-x}La{sub x})CuO{sub 5} are Ba(Y{sub 1.8}La{sub 0.2})CuO{sub 5} and Ba(Y{sub 0.1}La{sub 1.9})CuO{sub 5}, respectively. The structure of Ba(Y{sub 1.8}La{sub 0.2})CuO{sub 5} is Pnma (No. 62), a = 12.2161(5) A, b = 5.6690(2) A, c = 7.1468(3) A, V = 494.94(4) A{sup 3}, and D{sub x} = 6.29 g cm{sup -3}. YMn{sub 2}O{sub 5} and LaMn{sub 2}O{sub 5} do not form solid solution at 810 deg. C (p{sub O2} = 100 Pa) or at 950 deg. C (in air). The structure of YMn{sub 2}O{sub 5} was confirmed to be Pbam (No. 55), a = 7.27832(14) A, b = 8.46707(14) A, c = 5.66495(10) A, and V = 349.108(14) A{sup 3}. A reference X-ray pattern was prepared for YMn{sub 2}O{sub 5}.

  9. Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}, and Cs{sub 7}[Fe{sub 4}Se{sub 8}]. Missing links of known chalcogenido ferrate series

    Energy Technology Data Exchange (ETDEWEB)

    Stueble, Pirmin; Roehr, Caroline [Institut fuer Anorganische und Analytische Chemie, Universitaet Freiburg (Germany)

    2017-11-17

    The three cesium selenido ferrate title compounds with an Se:Fe ratio of 2:1 were synthesized from stoichiometric samples reacting elemental Cs either (A) with Fe and Se in a double-crucible setup (Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}) or (B) with previously prepared FeSe{sub 2} (Cs{sub 3}[FeSe{sub 2}]{sub 2}, Cs{sub 7}[Fe{sub 4}S{sub 8}]) (T{sub max} = 800-1000 C). The pure Fe{sup III} ferrate Cs[FeSe{sub 2}] crystallizes in the Tl[FeSe{sub 2}] type [monoclinic, space group C2/m, a = 1392.95(10), b = 564.43(3), c = 737.44(6) pm, β = 119.163(5) , Z = 4, R{sub 1} = 0.0550]. It is thus not isotypic to all other alkali ferrates(III) A[FeS{sub 2}] and A[FeSe{sub 2}] containing chains of edge-sharing tetrahedra, but crystallizes in a t2 subgroup of the Immm structure of Cs[FeS{sub 2}]. The mixed-valent chain compound Cs{sub 3}[FeSe{sub 2}]{sub 2} is isotypic to its sulfido analogue [orthorhombic, space group Pnma, a = 777.88(6), b = 1151.02(6), c = 1341.61(7) pm, Z = 4, R{sub 1} = 0.0470]. In contrast to the isopunctal Na{sub 3}[FeSe{sub 2}]{sub 2} type K/Rb compounds the chains are only slightly corrugated. The monoclinic, likewise mixed-valent Fe{sup II/III} selenido ferrate Cs{sub 7}[Fe{sub 4}Se{sub 8}] [monoclinic, space group C2/c, a = 1953.79(10), b = 879.71(5), c = 1717.03(10) pm, β = 117.890(2) , Z = 4, R{sub 1} = 0.0816] is isostructural both to the cesium sulfido and tellurido compound. The structure contains oligomeric moieties of four edge sharing [FeSe{sub 4}] tetrahedra forming slightly distorted tetrahedral clusters [Fe{sub 4}Se{sub 8}]{sup 7-}, which are surrounded by a cube of 26 Cs cations. Based on a structure map, the crystal chemistry of the three title compounds is discussed together with all chain/cluster ferrates of the general series A{sub 1+x}[Fe{sup III}{sub 1-x}Fe{sup II}{sub x}Q{sub 2}] (x = 0-1; A = Na, K, Rb, Cs; Q = S, Se, Te). (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Cyclotron resonance and De Haas-Van Alphen effect in (BEDT-TTF) sub 8 Hg sub 4 Cl sub 1 sub 2 (C sub 6 H sub 5 Cl) sub 2 organic conductor

    CERN Document Server

    Voskobojnikov, I B; Samarin, N A; Cluchanko, N E; Lyubovskaya, R N; Moshchalkov, V V

    2002-01-01

    Within 0.33-1.44 K temperature range at B <= 50 T magnetic field values one measured the De Haas-Van Alphen effect for (BEDT-TTF) sub 8 Hg sub 4 Cl sub 1 sub 2 (C sub 6 H sub 5 Cl) sub 2 organic quasi-two-dimensional conductor. Analysis of quantum oscillations with regard to data on cyclotron resonance derived for 40-120 GHz frequency interval enabled to determine that a complex spectrum of quantum oscillations was formed by alpha approx 256 T and beta approx 670-610 T fundamental frequencies as well as, by combination and multiple frequencies. It is shown that nature of temperature rearrangement of oscillation spectrum may be interpreted in terms of model taking account of occurrence of magnetic phase transition at T sub c approx 0.9 K and proximity of a fundamental frequency with m* = 1.48m sub 0 efficient mass to the spin dumping condition

  11. V{sub 18}P{sub 9}C{sub 2}. A complex phosphide carbide

    Energy Technology Data Exchange (ETDEWEB)

    Boller, Herbert [Linz Univ. (Austria). Inst. fuer Anorganische Chemie; Effenberger, Herta [Wien Univ. (Austria). Inst. fuer Mineralogie und Kristallographie

    2016-08-01

    V{sub 18}P{sub 9}C{sub 2} crystallizes in the orthorhombic space group Pmma with the lattice parameters a = 17.044(3), b = 3.2219(7), and c = 13.030(2) Aa, Z = 2. The crystal structure is composed of 19 symmetry-independent atoms. The crystal structure is considered as a network formed by the transition metal atoms exhibiting cubic, trigonal prismatic, and octahedral voids centered by V, P, and C atoms, respectively. Vice versa, the V and P atoms form a three-dimensional network. The two CV{sub 6} octahedra are edge- and corner-connected to chains running parallel to [010]. The five unique P atoms are trigonal prismatically coordinated by V atoms with one to three faces capped again by a V atom. The V atoms have mainly cubic environments formed solely by V or by V and P atoms. V{sub 18}P{sub 9}C{sub 2} exhibits some structural relations to other compounds of the ternary system V-P-C as well as to other intermetallic phases. Despite the low carbon content, V{sub 18}P{sub 9}C{sub 2} is considered as a ternary compound rather than an interstitially stabilized (binary) phosphide in view of its special structural features.

  12. Synthesis and photocatalytic property for H{sub 2} production of H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} nanosheets

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Bing [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Li, Yingxuan, E-mail: yxli@ms.xjb.ac.cn [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011 (China); Luo, Jianmin [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Xinjiang Uygur Autonomous Region Academy of Instrument Analysis, Urumqi, 830011 (China); Zhao, He [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhao, Jie; Dong, Guohui; Zhu, Yunqing [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011 (China); Wang, Chuanyi, E-mail: cywang@ms.xjb.ac.cn [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011 (China)

    2017-01-01

    Highlights: • Ultrathin HSN Ns were first synthesized based on molten salt synthesis method. • HSN Ns Exhibit 5.5 times higher activity than that of the HSN Ps. • The enhanced photocatalytic activity of HSN Ns is due to the reduction in thickness. - Abstract: The SrBi{sub 2}Nb{sub 2}O{sub 9} platelets with a thickness of about 600 nm were synthesized by molten salt synthesis method. The treatment of the SrBi{sub 2}Nb{sub 2}O{sub 9} platelets with hydrochloric acid resulted in the formation of the protonated H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} platelets. Through a top–down approach in ethylamine solution, the H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} platelets were exfoliated into H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} nanosheets with a thickness of about 2.6 nm. The evolution of the structure, composition, morphology, optical, and photocatalytic properties of SrBi{sub 2}Nb{sub 2}O{sub 9} platelets was studied as it is converted into H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} platelets and subsequently exfoliated into H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} nanosheets. The absorption edge shifts to a lower wavelength accompanied by the protonation and exfoliation. The photocatalytic H{sub 2} evolution of the three samples were evaluated under the irradiation of a 300 W Xenon lamp from CH{sub 3}OH/H{sub 2}O solution, indicating that H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} nanosheets Exhibit 5.5 and 26.2 times higher activity than that of the H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} and SrBi{sub 2}Nb{sub 2}O{sub 9} platelets, respectively. The enhanced activity for the H{sub 1.78}Sr{sub 0.78}Bi{sub 0.22}Nb{sub 2}O{sub 7} nanosheets is mainly attributed to the higher separation efficiency of the photogenerated carriers and the larger specific surface area caused by the significant reduction in thickness.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-04-04

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

  14. Ab-initio electronic structure calculations and properties of [Si{sub x}Sn{sub 1−x}]{sub 3}N{sub 4} ternary nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Pavloudis, Th. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Zervos, M. [Nanostructured Materials and Devices Laboratory, Department of Mechanical and Manufacturing Engineering, PO Box 20537, Nicosia 1678 (Cyprus); Komninou, Ph. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Kioseoglou, J., E-mail: sifisl@auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece)

    2016-08-31

    We carry out ab initio electronic structure calculations of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} using density functional theory with projector augmented-wave potentials under the generalized gradient approximation. We find that the energetically favorable structure of Sn{sub 3}N{sub 4} is the face-centered cubic spinel structure, followed by the hexagonal structure which has energy band gaps of 1.85 eV and 1.44 eV respectively. The (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} ternary compound can exhibit both cubic and hexagonal crystal structures over the full range of x. However, the cubic structure is found to be energetically favorable for x < 0.3 above which the hexagonal structure of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} dominates. The energy band gap can be tuned continuously from 1.44 eV up to 5.8 eV in the case of the hexagonal crystal structure of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} and from 1.85 eV to 4.82 eV in the case of cubic (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}. Nevertheless the energy gap of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} is direct only for x < 0.3 when it is cubic and for x < 0.5 when hexagonal. - Highlights: • (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} exhibits both cubic and hexagonal crystal structures. • The cubic structure is favorable for x < 0.3 and the hexagonal structure for x > 0.3. • The bandgap of hexagonal (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} may be tuned from 1.44 eV up to 5.8 eV. • The bandgap may be tuned from 1.85 eV to 4.82 eV for the cubic (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}. • Bandgaps are direct for x < 0.3 (cubic) and for x < 0.5 3 (hexagonal (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}).

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-15

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

  16. Bright green phosphor, Y/sub 3/Al/sub 5-x/Ga/sub x/O/sub 12/:Tb, for projection CRT

    International Nuclear Information System (INIS)

    Ohno, K.; Abe, T.

    1987-01-01

    A remarkably improved high brightness phosphor, Y/sub 3/Al/sub 5-x/Ga/sub x/O/sub 12/:Tb (x = 0 -- 5) was developed and has been adopted for the projection CRT. The replacement of a portion of Al with Ga in YAG improved the brightness and the saturation characteristics. While the brightness of Y/sub 3/Al/sub 3/Ga/sub 2/O/sub 12/:Tb is almost the same as that of Y/sub 3/Al/sub 5/O/sub 12/:Tb at low cathode current densities, the former becomes about two times greater than the latter at high cathode current densities. The brightness of the Y/sub 3/Al/sub 5-x/Ga/sub x/O/sub 12/:Tb phosphor and its saturation characteristics are presented and compared with other green phosphors which have been used for the projection CRT

  17. Sub-Saharan Africa Report

    National Research Council Canada - National Science Library

    1985-01-01

    .... This report from Sub-Saharan Africa, Benin, Botswana, Burkina, Cameroon, Chad, Comoros, Ethiopia, Ghana, Guinea, Kenya, Liberia, Madagascar, Mauritius, Mozambique, Sierra Leone, Somalia, South Africa...

  18. Sub-Saharan Africa Report

    National Research Council Canada - National Science Library

    1985-01-01

    .... This report on Sub-Saharan Africa, Angola, Botswana, Burkina, Cameroon, Ghana, Ivory Coast, Liberia, Madagascar, Malawi, Mali, Mozambique, Namibia, Senegal, South Africa, and Swaziland, contains...

  19. Sub-Saharan Africa Report

    National Research Council Canada - National Science Library

    1985-01-01

    .... This report from Sub-Saharan Africa, Angola, Benin, Botswana, Burundi, Ghana, Lesoto, Liberia, Malawi, Namibia, Nigeria, Senegal, Seychelles, South Africa, Tanzania and Zimbabwe, contains articles...

  20. Electronic structure of single crystalline Bi sub 2 (Sr,Ca,La) sub 3 Cu sub 2 O sub 8

    Energy Technology Data Exchange (ETDEWEB)

    Lindberg, P A.P.; Shen, Z X; Dessau, D S; Wells, B O; Borg, A; Mitzi, D B; Lindau, I; Spicer, W E; Kapitulnik, A [Stanford Electronics Labs. and Dept. of Applied Physics, Stanford Univ., CA (USA)

    1989-12-01

    Angle-resolved photoemission experiments on single crystals of Bi{sub 2}(Sr,Ca,La){sub 3}Cu{sub 2}O{sub 8} are reported. The data show a dispersionless behaviour of the valence band states as a function of the perpendicular component of the wave vector (along the c-axis), while as a function of the parallel component (in the a-b plane) clear dispersion occurs. Furthermore, polarization-dependent excitations reveal information on the symmetry of the unoccupied states. (orig.).

  1. Fullerene C[sub 60

    Energy Technology Data Exchange (ETDEWEB)

    Koruga, D; Hameroff, S; Sundareshan, M [Univ. of Arizona, Tucson, AZ (United States); Withers, J; Loutfy, R [MER Corp., Tucson, AZ (United States)

    1993-01-01

    This book, one of the first to be published in the exciting field of fullerenes, includes a short history of scientific discovery, as well as one possible answer to the question: for what purposes can C[sub 60] be utilized. The book opens with a review of the life of Buckminster Fuller. Modern history of fivefold symmetry and the icosahedron began between 1984 and 1985, when Shechtman and his research team opened a new branch in crystallography (fivefold symmetry) and when the Kroto/Smalley research team discovered the C[sub 60] molecule (truncated icosahedron). Production of solid C[sub 60] by the Huffman/Kraeschner research team in 1990 provided a new stimulus for research by producing C[sub 60] in macroscopic amounts for use by the scientific and technological community. This achievement led to developments such as Koruga's August 1992 creation of the dimer C[sub 116] using scanning tunneling engineering and Loutfy's hydrogenation of C[sub 60] and construction of the first Ni/C[sub 60] rechargeable batteries in December 1992. New inventions based on C[sub 60] will continue to be forthcoming, particularly in the areas of superconductivity, quantum devices, and molecular electronic devices. Discovery of the C[sub 60] molecule (Kroto/Smalley), production of solid C[sub 60] (Huffman/Kraeschmer) and technological inventions such as C[sub 116] (Koruga) have been chance discoveries. A short history of these discoveries is detailed in the book along with the results of the authors' Fullerene research efforts, including atomic resolution images of Fullerene C[sub 60], Ni/C[sub 60] batteries, nanotechnology of C[sub 60], comparison of C[sub 60] with biological systems, and others. As Fullerene C[sub 60] will require control engineering, an overview of control systems, in particular, general and optimal control of the Schroedinger equation, is contained. Some experimental and theoretical work of other researchers are also presented. 140 figs., 4 tabs., 342 refs.

  2. Sub-Saharan Africa Report

    National Research Council Canada - National Science Library

    1986-01-01

    .... This report contains articles from Sub-Saharan Africa, Angola, Ethiopia, Ghana, Mozambique, Namibia, Sierra Leone, Togo, Zambia, and South Africa, the articles deal mainly with Politics, Sociology...

  3. Sub-Saharan Africa Report

    National Research Council Canada - National Science Library

    1987-01-01

    Partial Contents: Sub Saharan Africa, Military Exercise, Radio Commentary, Stock Exchange, Prime Minister, Economic, Domestic Service, Armed Forces, Health, Organizations, Death, International Service, Foreign Policy...

  4. Sub-Saharan Africa Report

    National Research Council Canada - National Science Library

    1985-01-01

    .... This report from Sub-Sahara Africa, Angola, Cameroon, Equatorial Guinea, Ethiopia, Gambia, Kenya, Malawi, Namibia, Mozambique, Niger, Nigeria, Senegal, Sierra Leone, South Africa, Tanzania, Uganda...

  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<sub>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. 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.)

  7. Amorphous and nanocrystalline fraction calculus for the Fe{sub 73.5}Si{sub 3.5}Ge{sub 10}Nb{sub 3}B{sub 9}Cu{sub 1} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Muraca, D. [Laboratorio de Solidos Amorfos, Departamento de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires (Argentina); Moya, J. [Laboratorio de Solidos Amorfos, Departamento de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires (Argentina); Carrera del Investigador, CONICET (Argentina); Cremaschi, V.J. [Laboratorio de Solidos Amorfos, Departamento de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires (Argentina) and Carrera del Investigador, CONICET (Argentina)]. E-mail: vcremas@fi.uba.ar; Sirkin, H.R.M. [Laboratorio de Solidos Amorfos, Departamento de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires (Argentina); Carrera del Investigador, CONICET (Argentina)

    2007-09-01

    We studied the relationship between the saturation magnetization (M {sub S}) of the Fe{sub 73.5}Si{sub 3.5}Ge{sub 10}Nb{sub 3}B{sub 9}Cu{sub 1} alloy and its nanocrystalline structure. Amorphous ribbons obtained by the melt spinning technique were heat-treated for 1 h at different temperatures. The optimal treatment to obtain a homogeneous structure of Fe{sub 3}(Si,Ge) nanocrystals with a grain size of around 10 nm embedded in an amorphous matrix involved heating at 540 C for 1 h. We calculated the magnetic contribution of the nanocrystals to the heat treated alloy using a linear model and measured the M {sub S} of the Fe{sub 73.5}Si{sub 3.5}Ge{sub 10}Nb{sub 3}B{sub 9}Cu{sub 1} nanocrystalline and of an amorphous alloy of the same composition of the amorphous matrix: Fe{sub 58}Si{sub 0.5}Ge{sub 3.5}Cu{sub 3}Nb{sub 9}B{sub 26}. Using experimental data and theoretical calculations, we obtained the amorphous and crystalline fraction of the heat-treated ribbons.

  8. 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)

  9. Magnetotransport in La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/CuCr{sub 2}O{sub 4}/Fe{sub 3}O{sub 4} magnetic junctions

    Energy Technology Data Exchange (ETDEWEB)

    Iwata-Harms, Jodi M.; Suzuki, Yuri [Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States); Department of Applied Physics and Geballe Laboratory for Advanced Materials, Stanford University, Stanford, California 94305 (United States); Chopdekar, Rajesh V. [Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States); School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853 (United States); Wong, Franklin J. [Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Nelson-Cheeseman, Brittany B. [Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States); Jenkins, Catherine A.; Arenholz, Elke [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-01-05

    We demonstrate distinct magnetic and resistive switching with junction magnetoresistance up to −6% in magnetic tunnel junctions with a CuCr{sub 2}O{sub 4} barrier. Junction magnetoresistance is inversely related to barrier thickness and reveals a maximum at a finite applied bias that converges to zero bias at low temperatures for all barrier thicknesses. The non-monotonic bias dependence is attributed to a charge gap from the Fe{sub 3}O{sub 4} electrode and possible spin filtering from the spin-split conduction band of the ferrimagnetic CuCr{sub 2}O{sub 4} barrier.

  10. Simulation of CO<sub>2sub> Storage

    Energy Technology Data Exchange (ETDEWEB)

    McNabb, W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Myers, K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-10-26

    This report is a compilation of Lawrence Livermore National Laboratory’s (LLNL) accomplishments on CO<sub>2sub> storage simulation and modeling research, performed for the US-­China Clean Energy Research Center (CERC). Within the CERC project management structure, this work is referred to as Subtask 6.4.a Simulation and Modeling. The task falls under CERC’s Advanced Coal Technology Consortium (ACTC) Research Theme 6—CO<sub>2sub> Sequestration Capacity and Near-­Term Opportunities. The goals of the task were to develop new CO<sub>2sub> sequestration simulation approaches and tools, then apply them to CO<sub>2sub> storage projects in the U.S. and China. Work on this task paused when funding was redirected to CERC’s other efforts. Two sections of this report provide valuable snapshot of LLNL’s progress when funding was curtailed: 1) Section 5.2.2 is a 14-­page presentation written January 8, 2013; and 2) Section 5.1.3 is a progress report from the first quarter of Fiscal year 2013.

  11. Impact of air exposure and surface chemistry on Li-Li<sub>7sub>La>3sub>Zr>2sub>O>12sub> interfacial resistance

    Energy Technology Data Exchange (ETDEWEB)

    Sharafi, Asma [Univ. of Michigan, Ann Arbor, MI (United States); Yu, Seungho [Univ. of Michigan, Ann Arbor, MI (United States); Naguib, Michael [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Marcus [Univ. of Michigan, Ann Arbor, MI (United States); Ma, Cheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meyer, Harry M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nanda, Jagjit [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Chi, Maiofang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Siegel, Donald J. [Univ. of Michigan, Ann Arbor, MI (United States); Sakamoto, Jeff [Univ. of Michigan, Ann Arbor, MI (United States)

    2017-06-15

    Li<sub>7sub>La>3sub>Zr>2sub>O>12sub> (LLZO) is a promising solid-state electrolyte that could enable solid-state-batteries (SSB) employing metallic Li anodes. For a SSB to be viable, the stability and charge transfer kinetics at the Li–LLZO interface should foster facile plating and stripping of Li. Contrary to these goals, recent studies have reported high Li–LLZO interfacial resistance which was attributed to a contamination layer that forms upon exposure of LLZO to air. This study clarifies the mechanisms and consequences associated with air exposure of LLZO; additionally, strategies to minimize these effects are described. First-principles calculations reveal that LLZO readily reacts with humid air; the most favorable reaction pathway involves protonation of LLZO and formation of Li2CO3. X-ray photoelectron spectroscopy, scanning electron microscopy, Raman spectroscopy, and transmission electron microscopy were used to characterize the surface and subsurface chemistry of LLZO as a function of relative humidity and exposure time. Additionally, electrochemical impedance spectroscopy was used to measure the Li–LLZO interfacial resistance as a function of surface contamination. These data indicate that air exposure-induced contamination impacts the interfacial resistance significantly, when exposure time exceeds 24 h. The results of this study provide valuable insight into the sensitivity of LLZO to air and how the effects of air contamination can be reversed.

  12. Thermoelectric properties of p-type (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} fabricated by mechanical alloying process

    Energy Technology Data Exchange (ETDEWEB)

    Jung, B Y; Choi, J S; Oh, T S; Hyun, D B

    1997-07-01

    Thermoelectric properties of polycrystalline (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} (0.75 {le} x {le} 0.85), fabricated by mechanical alloying and hot pressing methods, have been investigated. Formation of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloy powder was completed by mechanical alloying for 5 hours at ball-to-material ratio of 5:1, and processing time for (Bi{sub 1{minus}sub x}Sb{sub x}){sub 2}Te{sub 3} formation increased with Sb{sub 2}Te{sub 3} content x. When (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} was hot pressed at temperatures ranging from 300 C to 550 C for 30 minutes, figure-of-merit increased with hot pressing temperature and maximum value of 2.8 x 10{sup {minus}3}/K could be obtained by hot pressing at 550 C. When hot pressed at 550 C, (Bi{sub 0.2}Sb{sub 0.8}){sub 2}Te{sub 3} exhibited figure-of-merit of 2.92 x 10{sup {minus}3}/K, which could be improved to 2.97 x 10{sup {minus}3}/K with addition of 1 wt% Sb as acceptor dopant.

  13. Reaction of ReH sub 7 (PPh sub 3 ) sub 2 with silanes: Preparation and characterization of the first silyl polyhydride complexes, ReH sub 6 (SiR sub 3 )(PPh sub 3 ) sub 2 (SiR sub 3 = SiPh sub 3 , SiEt sub 3 , SiHEt sub 2 )

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Xiaoliang; Baudry, D.; Boydell, P.; Charpin, P.; Nierlich, M.; Ephritikhine, M.; Crabtree, R.H. (Yale Univ., New Haven, CT (USA) CEA-CEN Saclay, Gif-sur-Yvette (France))

    1990-04-18

    Reaction of silanes with ReH{sub 7}(PPh{sub 3}){sub 2} (1) gives the novel rhenium silyl hexahydride complexes ReH{sub 6}(SiR{sub 3})(PPh{sub 3}){sub 2} (SiR{sub 3} = SiPh{sub 3} (2a), SiEt{sub 3} (2b), SiHEt{sub 2} (2c)), which have been fully characterized by IR and {sup 1}H, {sup 31}P, and {sup 13}C NMR spectroscopy and, in the case of 2a, by single-crystal x-ray crystallography. The spectroscopic and x-ray diffraction data suggest that 2a-c probably have a classical nine-coordinate tricapped trigonal-prismatic structure with the two phosphine ligands and the silyl group occupying the three equatorial sites and the six hydride ligands occupying the six axial positions. 2a has been obtained in two crystalline forms, one solvated (CH{sub 2}Cl{sub 2}) and the other unsolvated, and structures were determined on both. The crystal structures of crystals of unsolvated 2a and 2a {times} CH{sub 2} Cl{sub 2} are reported. The Re-Si bond lengths, 2.474 (4) {angstrom} (2a) and 2.475 (4) {angstrom} (2a {times} CH{sub 2}Cl{sub 2}), are shorter than the sum of the covalent radii of the Re and Si atoms (2.65 {angstrom}), which is unusual for a transition-metal silyl complex with a formal d{sup 0} configuration. 35 refs., 2 figs., 4 tabs.

  14. Defect model of a tetragonal Sm sup 3 sup + center found from EPR measurements in CaF sub 2 and SrF sub 2 crystals

    CERN Document Server

    Zheng Wen Chen; Wu Shao Yi; Tang Sheng

    2003-01-01

    The EPR parameters (g factors g sub p sub a sub r sub a sub l sub l sub e sub l , g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r sub t sub o and hyperfine structure constants A sub p sub a sub r sub a sub l sub l sub e sub l , A sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r sub t sub o) of a tetragonal (C sub 4 sub v) Sm sup 3 sup + center in CaF sub 2 and SrF sub 2 crystals are calculated by considering the crystal-field J-mixing among the ground sup 6 H sub 5 sub / sub 2 , the first excited sup 6 H sub 7 sub / sub 2 and second excited sup 6 H sub 9 sub / sub 2 state multiplets. In the calculations the free-ion and crystal-field parameters of the tetragonal Sm sup 3 sup + -F sup - center obtained from polarized laser-selective excitation spectroscopy are used. The calculated results suggest that the tetragonal Sm sup 3 sup + -F sup - center is the Sm sup 3 sup + center found by later EPR measurements. The g factors g sub p sub a sub r sub a sub...

  15. Atomic disorder in Gd{sub 2}Zr{sub 2}O{sub 7} pyrochlore

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, F. X. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, Hebei 066004 (China); Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, Michigan 48109 (United States); Lang, M. [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Ewing, R. C. [Department of Geological and Environmental Sciences, Stanford University, Stanford, California 94305 (United States)

    2015-05-11

    Gd{sub 2}Zr{sub 2}O{sub 7} pyrochlore with different degrees of cation disorder were synthesized by isothermal annealing at various temperatures (1100–1550 °C), and the related changes in the structure were investigated by ambient and high pressure x-ray diffraction (XRD) measurements. Unit cell parameters increase almost linearly with increasing treatment temperature. The degree of cation order in pyrochlore also increases with the increase of temperature, but saturates at ∼60%. The compressibility of the pyrochlore structures decreases when the degree of cation order increases. High pressure XRD measurements also indicate that the phase stability of Gd{sub 2}Zr{sub 2}O{sub 7} is not very sensitive to the degree of atomic disorder in the pyrochlore structure.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-18

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

  17. Y/sub 1/Ba/sub 2/Cu/sub 3/O/sub 7-//sub delta/ thin films grown by a simple spray deposition technique

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, A.; Koren, G.; Giess, E.A.; Moore, N.R.; O' Sullivan, E.J.M.; Cooper, E.I.

    1988-01-11

    The preparation of high T/sub c/ superconducting thin films of Y/sub 1/Ba/sub 2/Cu/sub 3/O/sub 7-//sub delta/ on (100) single crystals of MgO, ZrO/sub 2/ with 9% Y/sub 2/O/sub 3/ (yttria stabilized zirconia, or YSZ), and SrTiO/sub 3/ using a simple spray deposition technique is described. Typical film growth procedure involves (a) the spraying of a stoichiometric solution of the nitrate precursors on the heated substrate (180 /sup 0/C), (b) prebaking in air of the sprayed film (20 min at 500 /sup 0/C), and (c) oven annealing of the film under flowing O/sub 2/ (900--950 /sup 0/C followed by slow cooling to 200 /sup 0/C in about 3 h). X-ray diffraction analysis of the films after each of the growing steps mentioned above shows primarily the presence of crystalline phases of the nitrates, the oxides, and the orthorhombic superconducting phase, respectively. Resistivity versus temperature measurements show that the onset and completion of the superconductive transition occur at 92 and 87 K, respectively, in films on YSZ substrate; at 95 and 80 K, respectively, in films on SrTiO/sub 3/ substrate; and at 82 and 77 K, respectively, in films on MgO substrate.

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

    CERN Document Server

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

    2001-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-11

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

  20. Development of mathematical model of H{sub 2}O-HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2}-TBP-Diluent System

    Energy Technology Data Exchange (ETDEWEB)

    Ochkin, A.; Gladilov, D.; Nekhaevskiy, S.; Merkushkin, A. [D. Mendeleev University of Chemical Technology of Russia, 9 Miusskay Sqr., Moscow, 125047 (Russian Federation)

    2016-07-01

    The nuclear fuel reprocessing is based on the PUREX process. Usually 30% TBP in hydrocarbon diluents is applied, then the composition of the organic phase can be expressed as H{sub 2}O-HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2}-Pu(NO{sub 3}){sub 4}-TBP-diluent. The mathematical model of H{sub 2}O-HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2}-TBP-dodecane system has been elaborated. Mole fractions and volume ones and rational activity coefficients have been used in order to create the system of equations on the base of mass action law. The method for calculating activity coefficients was provided. The formation constants of uranyl nitrate di-solvate and mono-solvate and di-solvate of acid have been determined. Interaction between uranyl nitrate di-solvate and dodecane and between TBP and dodecane was taken into account. Activity coefficients of nitric acid and uranyl nitrate in mixed solutions were considered. Errors of adequacy have been determined for the systems containing 30% and 12% TBP concentrations.

  1. Measurement of |V sub c sub b | using (bar B) sup 0 -> D* sup + (ell) sup - (bar nu) sub e sub l sub l Decays

    CERN Document Server

    Della Ricca, G

    2003-01-01

    A preliminary measurement of |V sub c sub b | and the branching fraction BETA((bar B) sup 0 -> D* sup + (ell) sup - (bar nu) sub e sub l sub l) has been performed based on a sample of about 55,700 (bar B) sup 0 -> D* sup + (ell) sup - (bar nu) sub e sub l sub l decays recorded with the BABAR detector. The decays are identified in the D* sup + -> D sup 0 pi sup + final state, with the D sup 0 reconstructed in three different decay modes. The differential decay rate is measured as a function of the relativistic boost of the D* sup + in the (bar B) sup 0 rest frame. The value of the differential decay rate at ''zero recoil'', namely the point at which the D* sup + is at rest in the (bar B) sup 0 frame, is predicted in Heavy Quark Effective Theory as a kinematic factor times F(1)|V sub c sub b |, where F is the unique form factor governing the decay. We extrapolate the measured differential decay rate to the zero recoil point and obtain F(1)|V sub c sub b | = (34.03 +- 0.24 +- 1.31) x 10 sup - sup 3. Using a theo...

  2. Northern California CO<sub>2sub> Reduction Project

    Energy Technology Data Exchange (ETDEWEB)

    Hymes, Edward [C6 Resources LLC, Houston, TX (United States)

    2010-06-16

    C6 Resources LLC, a wholly owned subsidiary of Shell Oil Company, worked with the US Department of Energy (DOE) under a Cooperative Agreement to develop the Northern California CO<sub>2sub> Reduction Project. The objective of the Project is to demonstrate the viability of using Carbon Capture and Sequestration (CCS) to reduce existing greenhouse gas emissions from industrial sources on a large-scale. The Project will capture more than 700,000 metric tonnes of CO<sub>2sub> per year, which is currently being vented to the atmosphere from the Shell Martinez Refinery in Contra Costa County. The CO<sub>2sub> will be compressed and dehydrated at the refinery and then transported via pipeline to a sequestration site in a rural area in neighboring Solano County. The CO<sub>2sub> will be sequestered into a deep saline formation (more than two miles underground) and will be monitored to assure secure, long-term containment. The pipeline will be designed to carry as much as 1,400,000 metric tonnes of CO<sub>2sub> per year, so additional capacity will be available to accommodate CO<sub>2sub> captured from other industrial sources. The Project is expected to begin operation in 2015. The Project has two distinct phases. The overall objective of Phase 1 was to develop a fully definitive design basis for the Project. The Cooperative Agreement with the DOE provided cost sharing for Phase 1 and the opportunity to apply for additional DOE cost sharing for Phase 2, comprising the design, construction and operation of the Project. Phase 1 has been completed. DOE co-funding is provided by the American Recovery and Reinvestment Act (ARRA) of 2009. As prescribed by ARRA, the Project will stimulate the local economy by creating manufacturing, transportation, construction, operations, and management jobs while addressing the need to reduce greenhouse gas emissions at an accelerated pace. The Project, which will also assist in meeting the CO<sub>2sub> reduction requirements set

  3. B{sub 2}S{sub 2}O{sub 9}. A boron sulfate with phyllosilicate topology

    Energy Technology Data Exchange (ETDEWEB)

    Logemann, Christian; Wickleder, Mathias S. [Carl von Ossietzky University, Institute for Chemistry, Oldenburg (Germany)

    2013-12-23

    The condensation of [BO{sub 4}] and [SO{sub 4}] tetrahedra in the first binary boron sulfate B{sub 2}S{sub 2}O{sub 9}, leads to a structure with typical layered phyllosilicate topology. The compound is obtained from the hydrolysis of B(OH){sub 3} and HSO{sub 3}Cl. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Femtosecond optical detection of quasiparticle dynamics in high- T sub c YBa sub 2 Cu sub 3 O sub 7 minus. delta. superconducting thin films

    Energy Technology Data Exchange (ETDEWEB)

    Han, S.G.; Vardeny, Z.V.; Wong, K.S.; Symko, O.G. (Department of Physics, University of Utah, Salt Lake City, UT (USA)); Koren, G. (Department of Physics, Technion, 32000 Haifa (Israel))

    1990-11-19

    Femtosecond dynamics of photogenerated quasiparticles in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} superconducting thin films shows, at {ital T}{le}{ital T}{sub {ital c}}, two main electronic processes: (i) quasiparticle avalanche production during hot-carrier thermalization, which takes about 300 fsec; (ii) recombination of quasiparticles to form Cooper pairs, which is completed within 5 psec. In contrastr, nonsuperconducting epitaxial films such as PrBa{sub 2}Cu{sub 2}O{sub 7} and YBa{sub 2}Cu{sub 3}O{sub 6} show regular picosecond electronic response.

  5. Static susceptibility and heat capacity studies on V{sub 3}O{sub 7}.H{sub 2}O{sub 7} nanobelts

    Energy Technology Data Exchange (ETDEWEB)

    Hellmann, I., E-mail: i.hellmann@ifw-dresden.d [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung (IFW) Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany); Zakharova, G.S.; Volkov, V.L. [Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaiskaya ul. 91, Yekaterinburg 620219 (Russian Federation); Taeschner, C.; Leonhardt, A.; Buechner, B.; Klingeler, R. [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung (IFW) Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany)

    2010-04-15

    V{sub 3}O{sub 7}.H{sub 2}O nanobelts were prepared by a hydrothermal method at 190 deg. C using V{sub 2}O{sub 5}.nH{sub 2}O gel and H{sub 2}C{sub 2}O{sub 4}.2H{sub 2}O as starting agents. The obtained nanobelts have diameters ranging from 40 to 70 nm with lengths up to several micrometers. Measurements of the static magnetic susceptibility and the specific heat show a discontinuous phase transition at around T=145 K, which separates two regions of paramagnetic behavior.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-01

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

  7. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-08-15

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

  9. f-f Magnetic polaron Wigner glass and anomalous superconductivity in U sub 1 sub - sub x Th sub x Be sub 1 sub 3

    CERN Document Server

    Kasuya, T

    2000-01-01

    Mechanisms of the anomalous properties in the heavy fermion superconductor UBe sub 1 sub 3 and its alloys, in particular for the Th dopings, are studied in detail based on the fundamental electronic states to be consistent with all the crucial experimental results. As the reference systems for the magnetic polaron formation, Ce monopnictides, as well as USb and UTe, are mentioned. From detailed systematic studies of the dilute alloy systems, it is postulated that the 5f states in UBe sub 1 sub 3 split into the well-localized core 5f GAMMA sup 2 sub 7 singlet state and other delocalized 5f states situated around the Fermi energy forming the f-f magnetic polarons through the strong intra-atomic ferromagnetic f-f exchange interaction. The accompanied lattice polarons are also shown to play important roles. In the p-d band states, the f-f exchange interaction and the intersite p-f mixing interactions for the p-f Kondo state are of nearly equal strengths causing a rich variety of delicately balanced states. For th...

  10. Effects of hydrostatic pressure and temperature on the electron paramagnetic resonance spectrum of off-centre Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal

    CERN Document Server

    Ulanov, V A; Hoffmann, S K; Zaripov, M M

    2003-01-01

    Pressure and temperature variations of the spin-Hamiltonian parameters and electron paramagnetic resonance (EPR) linewidths of non-central Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal were studied by continuous-wave EPR. It was found that the static spin-Hamiltonian parameters, found at T = 85 K and at normal pressure (g sub | sub | = 2.491, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub p sub a sub r sub a sub l sub l sub e sub l = 360, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 26, A sub x sub ' sub ' = 96, A sub y sub ' sub ' = 99, A sub z sub ' sub ' = 403 and beta sub e sub x sub p = 17 diameter), are slightly changed with hydrostatic pressure and, at T = 85 K and P = 550 MPa, become equal to g sub | sub | = 2.489, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub | sub | 348, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l s...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2018-04-01

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

  12. Electronic structure determination of R{sub 3}T{sub 4}Sn{sub 13}

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xiaoye; Tan, HongEn; Klintberg, Lina E.; Tompsett, David A.; Grosche, F. Malte; Sutherland, Michael [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); Goh, Swee K. [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); The Chinese University of Hong Kong, Department of Physics, Hong Kong (China); Friedemann, Sven [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); University of Bristol, HH Wills Physics Laboratory, Bristol (United Kingdom); Yang, Jinhu; Chen, Bin [Hangzhou Normal University, Department of Physics, Hangzhou (China); Kyoto University, Department of Chemistry, Kyoto (Japan); Yoshimura, Kazuyoshi [Kyoto University, Department of Chemistry, Kyoto (Japan); Yu, Wing Chi [The Chinese University of Hong Kong, Department of Physics, Hong Kong (China)

    2016-07-01

    The quasi-skutterudite superconducting material family R{sub 3}T{sub 4}Sn{sub 13} (R = Ca, Sr, T = Ir, Rh) was recently shown to have a composition and pressure induced structural quantum phase transition. The end member material Sr{sub 3}Ir{sub 4}Sn{sub 13} at ambient pressure and above T* = 147 K adopts a simple cubic structure (I phase, Pm-3n). Below this temperature, the compound enters the I* phase, thought to result from a superlattice distortion of the I phase with twice the original lattice constant. We compare our quantum oscillation data for Sr{sub 3}Ir{sub 4}Sn{sub 13}, measured at a wide range of angles, with DFT calculations for the I and I* phases, as well as other proposed possibilities such as merohedral twining domains. We complement this comparison with thermal conductivity measurements of other materials in the family to provide important insights into the nature of the superlattice distortion.

  13. Growth of ultrathin twin-free b-oriented YBa{sub 2}Cu{sub 3}O{sub 7} {sub –} {sub x} films

    Energy Technology Data Exchange (ETDEWEB)

    Stepantsov, E. A., E-mail: stepantsov@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation); Arpaia, R.; Lombardi, F. [Chalmers University of Technology, Department of Microtechnology and Nanoscience (Sweden)

    2017-01-15

    Twin-free b-oriented YBa{sub 2}Cu{sub 3}O{sub 7–x} films with a thickness less than 40 nm have been epitaxially grown on (100)SrLaGaO{sub 4} crystals. Based on the temperature dependence of resistance, the onset temperature of the transition to the superconducting state is found to be 90 K; the transition width is 4 K. The film growth has been performed in two stages. A (100)PrBa{sub 2}Cu{sub 3}O{sub 7–x} buffer layer was previously grown on a (100)SrLaGaO{sub 4} substrate by rf magnetron sputtering in an Ar–O{sub 2} gas mixture at a continuous and monotonic increase in temperature from 660 to 830°C. The main YBa{sub 2}Cu{sub 3}O{sub 7–x} film was grown on the buffer layer surface by pulsed laser deposition in an oxygen medium at a fixed temperature (800°C). The above processes were implemented in different chambers, which were connected by a vacuum channel for transporting samples. Both films were grown in situ, without contacting atmosphere in all growth stages. An X-ray diffraction study has shown that the YBa{sub 2}Cu{sub 3}O{sub 7–x} films are single-crystal and free of precipitates of other phases and domains of other orientations.

  14. Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24}: A new anode material for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Chunfu, E-mail: linchunfu@hainu.edu.cn [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228, Hainan (China); Deng, Shengjue; Shen, Hong; Wang, Guizhen; Li, Yanfang; Yu, Lei; Lin, Shiwei; Li, Jianbao [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228, Hainan (China); Lu, Li, E-mail: luli@nus.edu.sg [Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore 117576 (Singapore)

    2015-11-25

    Li{sub 4}Ti{sub 5}O{sub 12} suffers from its small theoretical capacity and low conductivity, limiting its practical applications in lithium-ion batteries. Although its conductivity has been improved, its theoretical capacity has not been increased so far. Here, for the first time, the capacity of Li{sub 4}Ti{sub 5}O{sub 12} is increased by combining Ti{sup 3+}/Ti{sup 4+} and Cr{sup 2+}/Cr{sup 3+} redox couples. Spinel Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} with a larger theoretical capacity of 323 mAh g{sup −1} is designed and fabricated through a facile solid-state reaction method. The as-fabricated Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} delivers a large initial discharge capacity of 311 mAh g{sup −1} between 3 and 0.001 V (vs. Li/Li{sup +}) at a current density of 62.5 mA g{sup −1}, which is larger than that of Li{sub 4}Ti{sub 5}O{sub 12}. Furthermore, it exhibits good (electronic and ionic) conductivity and a high rate performance. - Highlights: • Capacity of Li{sub 4}Ti{sub 5}O{sub 12} is increased by combining Ti{sup 3+}/Ti{sup 4+} and Cr{sup 2+}/Cr{sup 3+} couples. • Spinel Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} with a larger theoretical capacity of 323 mAh g{sup −1} is prepared. • Discharge and charge capacities of Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} are larger than those of Li{sub 4}Ti{sub 5}O{sub 12}. • Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} shows a large electronic conductivity and Li{sup +} diffusion coefficient. • Li{sub 5}Cr{sub 9}Ti{sub 4}O{sub 24} further exhibits an ultra-high rate performance and good cyclability.

  15. Magnetic order of Y{sub 3}NiSi{sub 3}-type R{sub 3}NiSi{sub 3} (R=Gd–DY) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Faculty of Geology, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India); Malik, S.K.; Quezado, S. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil); Yao, Jinlei; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Nigam, A.K. [Tata Institute of Fundamental Research, Mumbai 400005 (India); Isnard, O. [Université Grenoble Alpes, Inst NEEL, BP166, F-38042 Grenoble (France); CNRS, Institut NEEL, 25 rue des martyrs, F-38042 Grenoble (France)

    2016-01-15

    Magnetic measurements and neutron powder diffraction investigations on the Y{sub 3}NiSi{sub 3}-type R{sub 3}NiSi{sub 3} compounds (R=Gd, Tb, Dy) reveal their complex antiferromagnetic ordering. Magnetic measurements on Gd{sub 3}NiSi{sub 3}, Tb{sub 3}NiSi{sub 3} and Dy{sub 3}NiSi{sub 3} indicate antiferromagnetic-like transition at temperatures 260 K, 202 K and 140 K, respectively. Also, the Tb{sub 3}NiSi{sub 3} and Dy{sub 3}NiSi{sub 3} compounds show spin-reorientation transition at 132 K and 99 K, respectively. Below the spin-reorientation transition, the isothermal magnetization curves indicate the metamagnetic-like behavior of Tb{sub 3}NiSi{sub 3} and Dy{sub 3}NiSi{sub 3}. The magnetocaloric effect of Dy{sub 3}NiSi{sub 3} is calculated in terms of isothermal magnetic entropy change and it reaches a maximum value of −1.2 J/kg K and −1.1 J/kg K for a field change of 50 kOe near 146 K and 92 K, respectively. The neutron diffraction studies of Tb{sub 3}NiSi{sub 3} suggest the magnetic ordering of the Tb2 4j sublattice and no magnetic ordering of the Tb1 2a sublattice. Tb{sub 3}NiSi{sub 3} transforms from the high temperature paramagnetic state to the commensurate high-temperature a- and c-axis antiferromagnet of I′2/m magnetic space group below 250 K. Below 150 K, the high-temperature antiferromagnet transforms into the low-temperature a-, b- and c-axis antiferromagnet of I′i magnetic space group. At 1.5 K, the terbium magnetic moment in Tb2 sublattice and its a-, b- and c-axis components reach the values of M{sub Tb2}=8.2(1) μ{sub B}, M{sub aTb2}=5.9(1) μ{sub B}, M{sub bTb2}=4.3(2) μ{sub B} and M{sub cTb2}=3.7(2) μ{sub B}, respectively. - Highlights: • Gd{sub 3}NiSi{sub 3}, Tb{sub 3}NiSi{sub 3} and Dy{sub 3}NiSi{sub 3} have Neel points of 260. 202 and 140 K. • Tb{sub 3}NiSi{sub 3} and Dy{sub 3}NiSi{sub 3} show spin-reorientation transition at 132 and 99 K. • Tb{sub 3}NiSi{sub 3} exhibits the commensurate magnetic ordering of Tb2 4j sublattice

  16. LaCu<sub>6-xsub>Agx>: A promising host of an elastic quantum critical point

    Energy Technology Data Exchange (ETDEWEB)

    Poudel, Lekh [ORNL; Dela Cruz, Clarina R. [ORNL; Koehler, Michael R. [University of Tennessee, Knoxville (UTK); McGuire, Michael A. [ORNL; Keppens, Veerle [University of Tennessee, Knoxville (UTK); Mandrus, David [ORNL; Christianson, Andrew D. [ORNL

    2018-05-01

    Structural properties of LaCu<sub>6-xsub>Agx> have been investigated using neutron and x-ray diffraction, and resonant ultrasound spectroscopy (RUS) measurements. Diffraction measurements indicate a continuous structural transition from orthorhombic (Pnma) to monoclinic (P2₁/C) structure. RUS measurements show softening of natural frequencies at the structural transition, consistent with the elastic nature of the structural ground state. The structural transition temperatures in LaCu<sub>6-xsub>Agx> decrease with Ag composition until the monoclinic phase is completely suppressed at x<sub>c>=0.225. All of the evidence is consistent with the presence of an elastic quantum critical point in LaCu<sub>6-xsub>Agx>.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-09-01

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

  18. Thermal transport properties of MoS <sub>2sub> and MoSe <sub>2sub> monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Kandemir, Ali; Yapicioglu, Haluk; Kinaci, Alper; Çağın, Tahir; Sevik, Cem

    2016-01-11

    Isolation of single to few layer transition metal dichalgogenides open alternate venues in application of 2 dimensional materials to nanoelectronics. Either for general overheating issues or specific application in thermoelectric devices, the characterization of the thermal transport in these new low dimensional materials is needed for their efficient implementation. In this study, lattice thermal conductivities of single layer MoS<sub>2sub> and MoSe<sub>2sub> are evaluated using classical molecular dynamics method. The interactions between atoms are defined by Stillinger-Weber type empirical potentials that are developed to represent structural, mechanical, and vibrational properties of the given materials. In parameterization of the potentials, a stochastic optimization algorithm, namely particle swarm optimization is utilized. The final parameter sets produce quite consistent results with DFT in terms of lattice parameters, bond distances, elastic constants and vibrational properties of both single layer MoS<sub>2sub> and MoSe<sub>2sub>. The predicted thermal properties of both materials are in very good agreement with earlier first principles calculations. The discrepancies between calculations and experimental measurements are most likely to be caused by pristine nature of the structures in our simulations.

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

    CERN Document Server

    Smirnov, L S; Savenko, B N

    2002-01-01

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

  20. 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.

  1. Superconductivity, carrier concentration, and the ionic model of Sn/sub 4/P/sub 3/ and Sn/sub 4/As/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Van Maaren, M H

    1969-06-01

    Superconductivity is reported for Sn/sub 4/P/sub 2.65/ at T/sub c/ 1.2/sup 0/K. Hall constant and reflectivity measurements indicate a mixed type of conduction for Sn/sub 4/P/sub 2.65/ and Sn/sub 3.80/ As/sub 3/. The ionic model of Geller and Hull is not applicable.

  2. Molecular mechanism of pancreatic tumor metastasis inhibition by Gd@C<sub>82sub>(OH)>22sub> and its implication for de novo design of nanomedicine

    Energy Technology Data Exchange (ETDEWEB)

    Kang, S. -g.; Zhou, G.; Yang, P.; Liu, Y.; Sun, B.; Huynh, T.; Meng, H.; Zhao, L.; Xing, G.; Chen, C.; Zhao, Y.; Zhou, R.

    2012-09-18

    Pancreatic adenocarcinoma is the most lethal of the solid tumors and the fourth-leading cause of cancer-related death in North America. Matrix metalloproteinases (MMPs) have long been targeted as a potential anticancer therapy because of their seminal role in angiogenesis and extracellular matrix (ECM) degradation of tumor survival and invasion. However, the inhibition specificity to MMPs and the molecular-level understanding of the inhibition mechanism remain largely unresolved. Here, we found that endohedral metallofullerenol Gd@C<sub>82sub>(OH)>22sub> can successfully inhibit the neoplastic activity with experiments at animal, tissue, and cellular levels. Gd@C<sub>82sub>(OH)>22sub> effectively blocks tumor growth in human pancreatic cancer xenografts in a nude mouse model. Enzyme activity assays also show Gd@C<sub>82sub>(OH)>22sub> not only suppresses the expression of MMPs but also significantly reduces their activities. We then applied large-scale molecular-dynamics simulations to illustrate the molecular mechanism by studying the Gd@C<sub>82sub>(OH)>22sub>–MMP-9 interactions in atomic detail. Our data demonstrated that Gd@C<sub>82sub>(OH)>22sub> inhibits MMP-9 mainly via an exocite interaction, whereas the well-known zinc catalytic site only plays a minimal role. Steered by nonspecific electrostatic, hydrophobic, and specific hydrogen-bonding interactions, Gd@C<sub>82sub>(OH)>22sub> exhibits specific binding modes near the ligand-specificity loop S1', thereby inhibiting MMP-9 activity. Both the suppression of MMP expression and specific binding mode make Gd@C<sub>82sub>(OH)>22sub> a potentially more effective nanomedicine for pancreatic cancer than traditional medicines, which usually target the proteolytic sites directly but fail in selective inhibition. Finally, our findings provide insights for de novo design of nanomedicines for fatal diseases such as pancreatic cancer.

  3. Relaxation of photogenerated carriers under He, H sub 2 , CO sub 2 and O sub 2 on ZnO

    CERN Document Server

    Han, C S; Jun, J

    1998-01-01

    The relaxation process of photogenerated carriers was investigated using conductivity measurement on ZnO under He,H sub 2 ,CO sub 2 and O sub 2. The process was well explained with the rate constant of reaction or recombination of hole and electron, k sub h and k sub e (k sub h >k sub e), respectively. Generally, k sub h increased with the pressure of the gases. The slope of k sub h with respect to the pressure increased in the order of H sub 2<=Hesub 2 , while k sub h of O sub 2 was sensitive to the history of the sample. The relaxation process on ZnO which was exposed to oxygen at 298 K and 573 K was observed during the illumination time. From the result, it was suggested that the rate constant of photo generated excess carriers was affected by the surface barrier of the semiconductor.

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

    Energy Technology Data Exchange (ETDEWEB)

    Stuerzer, Tobias

    2015-04-13

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

  5. 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

  6. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-05-01

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

  8. Permanent magnets prepared from Sm{sub 10.5}Fe{sub 88.5}Zr{sub 1.0}N{sub y} without homogenization

    Energy Technology Data Exchange (ETDEWEB)

    Gebel, B.; Kubis, M.; Mueller, K.-H. [Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany). Inst. fuer Metallische Werkstoffe

    1997-10-01

    In as-cast Sm{sub 2}Fe{sub 17} the high amount of {alpha}-Fe caused by a peritectic reaction can be considerably reduced by a small addition of about 1 at% Zr. X-ray diffraction showed that as-cast Sm{sub 10.5}Fe{sub 88.5}Zr{sub 1.0} mainly consists of a phase with the Th{sub 2}Zn{sub 17}-type structure and SmFe{sub 3}. Non-homogenized Sm{sub 10.5}Fe{sub 88.5}Zr{sub 1.0} was milled and (i) annealed in vacuum or (ii) treated with a hydrogenation-disproportionation-desorp tion-recombination (HDDR) process. The annealed and subsequently nitrogenated powder is magnetically anisotropic and has a coercivity {mu}{sub 0J}H{sub C} up to 2.0 T and an energy product (BH){sub max} up to 136 kJ/m{sup 3}. HDDR-treated and nitrogenated powder is isotropic and exhibits values of {mu}{sub 0J}H{sub C} = 3.1 T and (BH){sub max} 103 kJ/m{sup 3}. Consequently, Sm{sub 10.5}Fe{sub 88.5}Zr{sub 1.0}N{sub y} (y {approx} 16) permanent magnets with very good properties can be prepared without the time-consuming homogenization procedure. (orig.). 11 refs.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-05-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1981-05-01

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

  11. The Dopants and Doping Level Dependence of the Structure and Magnetic Properties of the Eu (BA<sub>1-xsub>LRx)>2sub>Cu>3sub>O>7+δsub>

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Yu [Iowa State Univ., Ames, IA (United States)

    2002-12-31

    Eu(Ba<sub>1-xsub>LRx)>2sub>Cu>3sub>O>7+δsub> were systematically studied in order to understand how the valence of the rear earth elements, ionic sizes and magnetic moment affect the crystal structure and magnetic and electrical properties. Differential thermal analyses were carried out to check the phase purity, X-ray data were least-squares fitted to determine the lattice parameters, and DC-SQUID magnetometry was used to characterize the superconducting properties. These results showed that the crystallography is consistent with other EuLR123ss series, LR = La, Pr, Eu. The lattice parameters vary with the ionic radii of the rare earth ions. Unlike the uniform change in lattice parameter, the superconducting transition did not vary systematically with the ionic size of the dopants. Although the general trend was for T<sub>c> to decrease with decreasing ionic size of the dopant, for the same doping level, Pr was anomalous, depressing T<sub>c> faster. Although the exact mechanism is not clear, this result is consistent with the depression of T<sub>c> for Pr substitution for the rare earth in R123. The critical current J<sub>c> was determined using the Bean model from magnetization versus field measurements as a function of temperature and field. The effect of the dopants on J<sub>c> with the increasing of temperature or applied field was determined. For T < 77 K and small values of x, the value of J<sub>c> was increased over that of the x = 0 sample. In addition, the smaller the substituting atom, the higher the J<sub>c> becomes. For instance, at x = 0.025, Eu123 < EuLa.025 < EuPr.025 < EuNd.025 < EuEu.025. The enhancement of J<sub>c> disappears for x > 0.05 and T > 0.5T<sub>c>.

  12. Preparation mechanism of (Bi{sub 2}O{sub 3}){sub 0.75}(Dy{sub 2}O{sub 3}){sub 0.25} nano-crystalline solid electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Li Rong [Nano-science and Nano-technology Research Center, School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); UCCS: Unite de Catalyse et de Chimie du Solide - UMR CNRS 8181, ENSCL, Batiment C7, BP 90108, 59652 Villeneuve d' Ascq Cedex (France); Zhen Qiang, E-mail: zhenqiang@263.ne [Nano-science and Nano-technology Research Center, School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); Drache, Michel; Rubbens, Annick; Vannier, Rose-Noelle [UCCS: Unite de Catalyse et de Chimie du Solide - UMR CNRS 8181, ENSCL, Batiment C7, BP 90108, 59652 Villeneuve d' Ascq Cedex (France)

    2010-04-02

    (Bi{sub 2}O{sub 3}){sub 0.75}(Dy{sub 2}O{sub 3}){sub 0.25} nanopowder was prepared by reverse chemical titration co-precipitation method. The reaction mechanism during the precipitation process was discussed by thermodynamic analysis. Thermal decomposition behavior of the precursor was investigated using X-ray diffractometry and TG-MS analysis. The precursor was calcined at 500 {sup o}C for 3 h to obtain (Bi{sub 2}O{sub 3}){sub 0.75}(Dy{sub 2}O{sub 3}){sub 0.25} nanopowder. Using the nanopowder, pellets with relative density higher than 94% were obtained at 700 {sup o}C for 2 h by pressureless sintering, and the grains remained at the nano-scale with size of 72 nm.

  13. Critical current density of strained multilayer thin films of Nd sub 1. 83 Ce sub 0. 17 CuO sub x /YBa sub 2 Cu sub 3 O sub 7 minus. delta

    Energy Technology Data Exchange (ETDEWEB)

    Gross, R.; Gupta, A.; Olsson, E.; Segmueller, A.; Koren, G. (IBM T. J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598 (USA))

    1990-07-09

    The superconducting transport properties of strained multilayer thin films of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}/ Nd{sub 1.83}Ce{sub 0.17}CuO{sub {ital x}}, grown heteroepitaxially by laser ablation deposition, are reported. For individual layer thicknesses below a critical layer thickness of about 250 A, coherency strain removes the orthorhombic distortion in the YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} layers and makes them twin-free. Zero-field critical current densities as high as 1.1{times}10{sup 7} A/cm{sup 2} at 77 K have been measured for the YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} layers. Flux pinning energies at zero temperature and zero magnetic field in the range of 80--140 meV have been found.

  14. Study of UO{sub 2}F{sub 2} - H{sub 2}O - HF compounds; Etude des composes UO{sub 2}F{sub 2} - H{sub 2}O - HF

    Energy Technology Data Exchange (ETDEWEB)

    Neveu, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1961-07-01

    We study various compounds resulting from the interaction of UO{sub 2}F{sub 2} with H{sub 2}O and HF (gas), and various triple compounds UO{sub 2}F{sub 2} - H{sub 2}O - HF; the conditions of decomposition and the thermodynamic limits of stability are specified. (author) [French] Nous etudions divers composes formes par reaction de UO{sub 2}F{sub 2} avec H{sub 2}O et HF (gaz) et divers composes triples UO{sub 2}F{sub 2} - H{sub 2}O - HF, en essayant de preciser les decompositions et domaines d'exisfence thermodynamiques de ces corps. (auteur)

  15. Activity of RE/sub 2/O/sub 3/ in liquid La/sub 2/O/sub 3/-Al/sub 2/O/sub 3/-CaF/sub 2/ and Ce/sub 2/O/sub 3/-CaO-CaF/sub 2/ slags

    International Nuclear Information System (INIS)

    Changzhen, W.; Shuqing, Y.; Qieng, D.

    1985-01-01

    In the course of electro-slag refining, if the slag contains rare earth oxides, the amount of rare earth introduced to the steel depends on the composition of the slag and other conditions. The main aim of this investigation is to study the activity of RE/sub 2/O/sub 3/ in the electro-slags of various compositions. One is the La/sub 2/O/sub 3/-CaO-CaF/sub 2/ ternary slag system and the other is the Ce/sub 2/O/sub 3/-CaO-CaF/sub 2/ slag system. The iso-activity diagram for RE/sub 2/O/sub 3/ and the liquid boundary for slags system were estimated

  16. Interfacial microstructure of Si{sub 3}N{sub 4}/Si{sub 3}N{sub 4} brazing joint with Cu-Zn-Ti filler alloy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)], E-mail: hitzhangjie@hit.edu.cn; Zhang, X.M.; Zhou, Y. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Naka, M. [Joining and Welding Research Institute, Osaka University, Ibaraki, Osaka 567-0047 (Japan); Svetlana, Atroshenko [Faculty of Mathematics and Mechanics, Saint-Petersburg State University (Russian Federation)

    2008-11-15

    In this study, Si{sub 3}N{sub 4} ceramic was jointed by a brazing technique with a Cu-Zn-Ti filler alloy. The interfacial microstructure between Si{sub 3}N{sub 4} ceramic and filler alloy in the Si{sub 3}N{sub 4}/Si{sub 3}N{sub 4} joint was observed and analyzed by using electron-probe microanalysis, X-ray diffraction and transmission electron microscopy. The results indicate that there are two reaction layers at the ceramic/filler interface in the joint, which was obtained by brazing at a temperature and holding time of 1223 K and 15 min, respectively. The layer nearby the Si{sub 3}N{sub 4} ceramic is a TiN layer with an average grain size of 100 nm, and the layer nearby the filler alloy is a Ti{sub 5}Si{sub 3}N{sub x} layer with an average grain size of 1-2 {mu}m. Thickness of the TiN and Ti{sub 5}Si{sub 3}N{sub x} layers is about 1 {mu}m and 10 {mu}m, respectively. The formation mechanism of the reaction layers was discussed. A model showing the microstructure from Si{sub 3}N{sub 4} ceramic to filler alloy in the Si{sub 3}N{sub 4}/Si{sub 3}N{sub 4} joint was provided as: Si{sub 3}N{sub 4} ceramic/TiN reaction layer/Ti{sub 5}Si{sub 3}N{sub x} reaction layer/Cu-Zn solution.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-18

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

  19. Color suppressed contributions to the decay modes B{sub d,s}{yields}D{sub s,d}D{sub s,d}, B{sub d,s}{yields}D{sub s,d}D{sup *}{sub s,d}, and B{sub d,s}{yields}D{sup *}{sub s,d} D{sup *}{sub s,d}

    Energy Technology Data Exchange (ETDEWEB)

    Eeg, J.O. [University of Oslo, Department of Physics, Blindern, Oslo (Norway); Fajfer, S. [University of Ljubljana, Department of Physics, Ljubljana (Slovenia); J. Stefan Institute, Ljubljana (Slovenia); Prapotnik, A. [J. Stefan Institute, Ljubljana (Slovenia)

    2005-07-01

    The amplitudes for decays of the type B{sub d,s}{yields}D{sub s,d}D{sub s,d}, have no factorizable contributions, while B{sub d,s}{yields}D{sub s,d}D{sup *}{sub s,d}, and B{sub d,s}{yields}D{sup *}{sub s,d}D{sup *}{sub s,d} have relatively small factorizable contributions through the annihilation mechanism. The dominant contributions to the decay amplitudes arise from chiral loop contributions and tree level amplitudes which can be obtained in terms of soft gluon emissions forming a gluon condensate. We predict that the branching ratios for the processes anti B{sup 0}{sub d}{yields}D{sub s}{sup +}D{sub s}{sup -}, anti B{sup 0}{sub d}{yields}D{sub s}{sup +*} D{sub s}{sup -} and anti B{sup 0}{sub d}{yields}D{sub s}{sup +}D{sub s}{sup -*} are all of order (2-3) x 10{sup -4}, while anti B{sup 0}{sub s}{yields}D{sub d}{sup +}D{sub d}{sup -}, anti B{sup 0}{sub s}{yields}D{sub d}{sup +*}D{sub d}{sup -} and anti B{sup 0}{sub s}{yields}D{sub d}{sup +}D{sub d}{sup -*} are of order (4-7) x 10{sup -3}. We obtain branching ratios for two D{sup *}'s in the final state of order two times bigger. (orig.)

  20. Preparation and characterization of Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3} composite oxide formed by cathodic electroplating and anodizing

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Joo-Hee; Kim, Tae-Yoo; Kim, Nam-Jeong; Lee, Chang-Hyoung; Park, Eun-Mi [School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Park, Chan [Division of Materials Science and Engineering, Pukyong National University, Busan 608-739 (Korea, Republic of); Suh, Su-Jeong, E-mail: suhsj@skku.ac.kr [School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Advanced Materials and Process Research Center for IT, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2011-11-15

    Highlights: > We fabricate Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3}/Al film for high performance thin film capacitor. > The optimum condition of electrolyte composition will coat NbO{sub x} on Al without corrosion of Al during the cathodic electroplating. > Increasing annealing temperature will form Nb{sub 2}O{sub 5} crystalline. > The Al{sub 2}O{sub 3} layer will form between Nb{sub 2}O{sub 5} layer and metal Al after anodizing and the thin film capacitor with Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3}/Al improve dielectric properties. - Abstract: Al foil was coated with niobium oxide by cathodic electroplating and anodized in a neutral boric acid solution to achieve high capacitance in a thin film capacitor. X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) revealed the niobium oxide layer on Al to be a hydroxide-rich amorphous phase. The film was crystalline and had stoichiometric stability after annealing at temperatures up to 600 deg. C followed by anodizing at 500 V, and the specific capacitance of the Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3} composite oxide was approximately 27% higher than that of Al{sub 2}O{sub 3} without a Nb{sub 2}O{sub 5} layer. The capacitance was quite stable to the resonance frequency. Overall, the Nb{sub 2}O{sub 5}-Al{sub 2}O{sub 3} composite oxide film is a suitable material for thin film capacitors.

  1. 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}.

  2. HYPERDIRE. HYPERgeometric functions DIfferential REduction. MATHEMATICA based packages for differential reduction of generalized hypergeometric functions {sub p}F{sub p-1}, F{sub 1}, F{sub 2}, F{sub 3}, F{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Bytev, Vladimir V.; Kalmykov, Mikhail Yu. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Joint Institute for Nuclear Research, Dubna (Russian Federation); Kniehl, Bernd A. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik

    2013-05-15

    HYPERDIRE is a project devoted to the creation of a set of Mathematica based programs for the differential reduction of hypergeometric functions. The current version includes two parts: one, pfq, is relevant for manipulations of hypergeometric functions {sub p+1}F{sub p}, and the second one, AppellF1F4, for manipulations with Appell hypergeometric functions F{sub 1}, F{sub 2}, F{sub 3}, F{sub 4} of two variables.

  3. Structural relaxation and embrittlement of Cu/sub 59/Zr/sub 41/ and Fe/sub 80/B/sub 20/ glasses

    International Nuclear Information System (INIS)

    Deng, D.; Argon, A.S.

    1986-01-01

    The effect of physical aging at 0.92 T/sub c/, on phase separation, crystallization, distributed shear relaxations, hardness, and strain to fracture was investigated in Cu/sub 59/Zr/sub 41/ and Fe/sub 80/B/sub 20/ glasses. In Cu/sub 59/Zr/sub 41/ glass, aging resulted in phase separation prior to crystallization, rather than the expected polymorphous crystallization. In Fe/sub 80/B/sub 20/ in the as-quenched alloys a prominent second-order Curie transition was found at 613K, which was recovered by aging. Apart from a nearly four-fold acceleration of the aging process in Fe/sub 80/B/sub 20/ over the Cu/sub 59/Zr/sub 41/ alloy, their mechanical responses to the aging were very similar in alterations of the internal friction spectrum, evolution of hardness, and strain to fracture

  4. Hexagonal perovskites with cationic vacancies. 12. Structure determination on Ba/sub 6/W/sub 4/vacant/sub 2/O/sub 18/

    Energy Technology Data Exchange (ETDEWEB)

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

    1979-08-01

    The stacking polytype Ba/sub 6/W/sub 4/vacant/sub 2/O/sub 18/ is the first oxide variant of the Cs/sub 3/Tl/sub 2/Cl/sub 9/-type. The structure determination gave for the space group R3c with the sequence (h)/sub 6/, Z = 3, the refined, intensity related R' value of 6.8%. The octahedral net consists of groups of two face sharing WO/sub 6/ octahedra (W/sub 2/ Osub(6/2)O/sub 6/), which are in the (110) plane displaced against each other. In the double octahedra the tungsten atoms are shifted away from their ideal central position (W-W:2.32/sub 7/ A) with the result, that the W-W distance has increased to 2.90/sub 5/ A.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-15

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

  6. 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.

  7. Nanocrystalline SiC and Ti<sub>3sub>SiC>2sub> Alloys for Reactor Materials: Diffusion of Fission Product Surrogates

    Energy Technology Data Exchange (ETDEWEB)

    Henager, Charles H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Jiang, Weilin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-11-01

    MAX phases, such as titanium silicon carbide (Ti<sub>3sub>SiC>2sub>), have a unique combination of both metallic and ceramic properties, which make them attractive for potential nuclear applications. Ti<sub>3sub>SiC>2sub> has been suggested in the literature as a possible fuel cladding material. Prior to the application, it is necessary to investigate diffusivities of fission products in the ternary compound at elevated temperatures. This study attempts to obtain relevant data and make an initial assessment for Ti<sub>3sub>SiC>2sub>. Ion implantation was used to introduce fission product surrogates (Ag and Cs) and a noble metal (Au) in Ti<sub>3sub>SiC>2sub>, SiC, and a dual-phase nanocomposite of Ti<sub>3sub>SiC>2sub>/SiC synthesized at PNNL. Thermal annealing and in-situ Rutherford backscattering spectrometry (RBS) were employed to study the diffusivity of the various implanted species in the materials. In-situ RBS study of Ti<sub>3sub>SiC>2sub> implanted with Au ions at various temperatures was also performed. The experimental results indicate that the implanted Ag in SiC is immobile up to the highest temperature (1273 K) applied in this study; in contrast, significant out-diffusion of both Ag and Au in MAX phase Ti<sub>3sub>SiC>2sub> occurs during ion implantation at 873 K. Cs in Ti<sub>3sub>SiC>2sub> is found to diffuse during post-irradiation annealing at 973 K, and noticeable Cs release from the sample is observed. This study may suggest caution in using Ti<sub>3sub>SiC>2sub> as a fuel cladding material for advanced nuclear reactors operating at very high temperatures. Further studies of the related materials are recommended.

  8. Spin reorientation phenomena in (R{sub 1-x}R`{sub x}){sub 2}Co{sub 14}B (R = La, R` = Dy and Ho)

    Energy Technology Data Exchange (ETDEWEB)

    Myojin, T. [Takamatsu Nat. Coll. of Technol. (Japan); Ohno, T. [Tokushima Univ. (Japan). Faculty of Engineering; Mizuno, K. [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Tsujimura, A. [Faculty of Engineering, Tokushima Bunri Univ., Kagawa Shido (Japan); Kojima, K. [Hiroshima Univ. (Japan). Faculty of Integrated Arts and Sciences

    1997-07-01

    The variations of magnetization with temperature in (La{sub 1-x}R`{sub x}){sub 2}Co{sub 14}B (R` = Dy and Ho) have been measured to determine spin reorientation temperature T{sub SR} of these compounds. The phase diagrams of spin arrangement thus obtained indicate monotonous increase in T{sub SR} with R` concentration x. Also, T{sub SR}`s of R{sub 2}Co{sub 14}B(R = Tb, Dy and Ho) are found to vary linearly with the Stevens factor {alpha} of R. (orig.). 4 refs.

  9. Lattice contraction and lattice deformation of UO{sub 2} and ThO{sub 2} doped with Gd{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Baena, Angela [Belgian Nuclear Research Centre (SCK-CEN), Institute for Nuclear Materials Science, Boeretang 200, B-2400 Mol (Belgium); KU Leuven, Department of Chemistry, Celestijnenlaan 200F, P.O. Box 2404, B-3001 Heverlee (Belgium); Cardinaels, Thomas; Govers, Kevin; Pakarinen, Janne [Belgian Nuclear Research Centre (SCK-CEN), Institute for Nuclear Materials Science, Boeretang 200, B-2400 Mol (Belgium); Binnemans, Koen [KU Leuven, Department of Chemistry, Celestijnenlaan 200F, P.O. Box 2404, B-3001 Heverlee (Belgium); Verwerft, Marc, E-mail: marc.verwerft@sckcen.be [Belgian Nuclear Research Centre (SCK-CEN), Institute for Nuclear Materials Science, Boeretang 200, B-2400 Mol (Belgium)

    2015-12-15

    The lattice deformations in two doped fluorite systems, (U{sub 1−x}Gd{sub x})O{sub 2.00} and (Th{sub 1−x}Gd{sub x})O{sub 2−x/2}, have been reassessed by precise X-ray and electron diffraction investigations and the results were interpreted using the Bond Valence Sum (BVS) approach. For the (U{sub 1−x}Gd{sub x})O{sub 2.00} system, the experimental findings and theoretical assessment confirm earlier work: the lattice keeps its fluorite structure with a unit cell parameter that contracts linearly with dopant concentration. The lattice contraction in the (Th{sub 1−x}Gd{sub x})O{sub 2−x/2} system has for the first time been analyzed up to the solubility limit. Similar as for (U{sub 1−x}Gd{sub x})O{sub 2.00}, the (Th{sub 1−x}Gd{sub x})O{sub 2−x/2} solid solution contracts linearly as a function of dopant concentration but additionally, it develops a superstructure which is closely related to the parent fluorite structure. An excess anion bixbyite trial model is proposed to describe this superstructure. - Highlights: • Lattice deformations of (U{sub 1−x}Gd{sub x})O{sub 2.00} & (Th{sub 1−x}Gd{sub x})O{sub 2−x/2} are not identical. • (U{sub 1−x}Gd{sub x})O{sub 2.00} retains its fluorite structure. • (Th{sub 1−x}Gd{sub x})O{sub 2−x/2} forms an excess-anion bixbyite structure. • (U{sub 1−x}Gd{sub x})O{sub 2.00} and (Th{sub 1−x}Gd{sub x})O{sub 2−x/2} contractions were evaluated with high precision.

  10. Effect of rutile TiO{sub 2} on the photocatalytic performance of g-C{sub 3}N{sub 4}/brookite-TiO{sub 2-x}N{sub y} photocatalyst for NO decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Li, Huihui, E-mail: lihh@lzu.edu.cn [Key Laboratory for Magnetism Magnetic Materials of the Ministry of Education, Lanzhou University, 222 south Tianshui Road, Lanzhou, 730000 (China); Wu, Xiaoyong [Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070 (China); Yin, Shu [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Katsumata, Kenichi [Photocatalysis International Research Center, Research Institute for Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba, 278-8510 (Japan); Wang, Yuhua [Key Laboratory for Magnetism Magnetic Materials of the Ministry of Education, Lanzhou University, 222 south Tianshui Road, Lanzhou, 730000 (China)

    2017-01-15

    Graphical abstract: g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}Ny forms a Z-scheme photocatalytic system, which shows improvement on the photocatalytic activity than that of g-C{sub 3}N{sub 4}/single brookite TiO{sub 2-x}N{sub y}. - Highlights: • g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}N{sub y} forms a Z-scheme photocatalytic system. • Photogenerated electrons can efficiently transfer from rutile TiO{sub 2} to g-C{sub 3}N{sub 4}. • Single brookite TiO{sub 2-x}N{sub y} shows lower photo-utilization efficiency than rutile-brookite mixed one. • DeNO{sub x} activities of brookite TiO{sub 2-x}N{sub y} hybrids decrease with g-C{sub 3}N{sub 4} amount increase. - Abstract: Novel g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}N{sub y} composite photocatalysts were fabricated through a facile solvothermal approach. The effect of rutile phase TiO{sub 2} with brookite TiO{sub 2} and g-C{sub 3}N{sub 4} on the photocatalytic activity of g-C{sub 3}N{sub 4}/nitrogen-doped TiO{sub 2} composite was studied. The photocatalytic performance of the photocatalyst was evaluated by measuring the degradation of NO gas under visible and UV light irradiation. It is suggested that g-C{sub 3}N{sub 4}/rutile-brookite TiO{sub 2-x}N{sub y} forms a Z-scheme photocatalytic system, which shows improvement on the photocatalytic activity than that of g-C{sub 3}N{sub 4}/single brookite TiO{sub 2-x}N{sub y}. By importing rutile phase TiO{sub 2-x}N{sub y}, the photogenerated electrons can efficiently transfer from rutile TiO{sub 2} to g-C{sub 3}N{sub 4}, which results in the separation of electron and hole pairs, enhancing the photocatalytic ability. However, single brookite TiO{sub 2-x}N{sub y} can not remove the photogenerated electrons efficiently and the photocatalytic performances of composites decrease with g-C{sub 3}N{sub 4} amount increase.

  11. Dispersion of CEF levels in Nd{sub 2}CuO{sub 4} and Pr{sub 0.86}Ce{sub 0.14}CuO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Henggeler, W.; Furrer, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Chattopadyay, T.; Roessli, B. [Institut Max von Laue - Paul Langevin, 75 - Paris (France)

    1997-09-01

    We performed inelastic scattering experiments to determine the dispersion of the {Gamma}{sub 6}{sup (1)}-{Gamma}{sub 6}{sup (2)}-Nd crystal field excitation in Nd{sub 2}CuO{sub 4} and of the {Gamma}{sub 4}-{Gamma}{sub 5} Pr CEF excitation in Pr{sub 1.86}Ce{sub 0.14}CuO{sub 4}. Our results can be described within the random phase approximation model. (author) 4 figs.

  12. 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

  13. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-11-15

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

  15. Microstructure and thermochromic properties of VO{sub X}-WO{sub X}-VO{sub X} ceramic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Khamseh, S.; Ghahari, M. [Institute for Color Science and Technology, Department of Nanomaterial and Nanocoatings, Tehran (Iran, Islamic Republic of); Araghi, H. [Islamic Azad University, Department of Materials Engineering, Science and Research Branch, Tehran (Iran, Islamic Republic of); Faghihi Sani, M.A. [Sharif University of Technology, Department of Materials Science and Engineering, Tehran (Iran, Islamic Republic of)

    2016-03-15

    W-doped VO{sub 2} films have been synthesized via oxygen annealing of V-W-V (vanadium-tungsten-vanadium) multilayered films. The effects of middle layer's thickness of V-W-V multilayered film on structure and properties of VO{sub X}-WO{sub X}-VO{sub X} ceramic thin films were investigated. The as-deposited V-W-V multilayered film showed amorphous-like structure when mixed structure of VO{sub 2} (M) and VO{sub 2} (B) was formed in VO{sub X}-WO{sub X}-VO{sub X} ceramic thin films. Tungsten content of VO{sub X}-WO{sub X}-VO{sub X} ceramic thin films increased with increasing middle layer's thickness. With increasing middle layer's thickness, room temperature square resistance (R{sub sq}) of VO{sub X}-WO{sub X}-VO{sub X} ceramic thin films increased from 65 to 86 kΩ/sq. The VO{sub X}-WO{sub X}-VO{sub X} ceramic thin film with the thinnest middle layer showed significant SMT (semiconductor-metal transition) when SMT became negligible on increasing middle layer's thickness. (orig.)

  16. Electrochemical fabrication, microstructure and magnetic properties of Sm{sub 2}Co{sub 17}/Fe{sub 7}Co{sub 3} dual phase nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Chunxiang, E-mail: hutcui@hebut.edu.cn [Key Lab. for New Type of Functional Materials in Hebei Province, Hebei University of Technology, No.8, Road No.1, Dingzigu, Hongqiao District, Tianjin 300130 (China); Chen, Fenghua [Tianjin Sanhuan Lucky New Materials Inc., Tianjin Economical-Technological Development Area (TEDA), Tianjin 300457 (China); Yang, Wei; Li, Hongfang; Liu, Qiaozhi; Sun, Jibing [Key Lab. for New Type of Functional Materials in Hebei Province, Hebei University of Technology, No.8, Road No.1, Dingzigu, Hongqiao District, Tianjin 300130 (China)

    2015-06-15

    By utilizing alternate electrochemical reaction, atomic migration and deposition of Fe, Co, Sm and other chemical substances in the electrochemical solution, a large number of Sm{sub 2}Co{sub 17}/Fe{sub 7}Co{sub 3} dual phase nanowire arrays were carried out in the anodic aluminum oxide (AAO) template with highly uniform and orderly. The Sm{sub 2}Co{sub 17}/Fe{sub 7}Co{sub 3} dual phase nanowire arrays with diameter of 50 nm and length of 12 μm have the smooth surface and uniform diameter. The morphology and microstructure of annealed Sm{sub 2}Co{sub 17}/Fe{sub 7}Co{sub 3} dual phase nanowires were observed and analyzed using SEM, TEM and HRTEM. Compared with single-phase nanowires, dual phase magnetic nanowires have higher coercivity and saturation magnetization. In this composite system, both the hard and the soft phases have a high Curie temperature, therefore, we believe that the Sm{sub 2}Co{sub 17}/Fe{sub 7}Co{sub 3} dual phase nanowire arrays is a new type of high-temperature magnetic composites. - Highlights: • Sm{sub 2}Co{sub 17}/Fe{sub 7}Co{sub 3} dual phase nanowires were prepared by electrochemical method. • The interface pinning is the main factor to improve anisotropy field of the nanowires. • The dual phase magnetic nanowires have higher coercivity and saturation magnetization.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-02-15

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

  18. Thermodynamic properties of Y/sub 3/Fe/sub 5/O/sub 12/ and TbFeO/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Shchelkotunov, V A; Danilov, V N; Reznitskii, L A; Korobeinikova, A V [Moskovskij Gosudarstvennyj Univ. (USSR)

    1975-01-01

    Two types of chemical compounds-garnets and perovskites - exist in Fe/sub 2/O/sub 3/-Y/sub 2/O/sub 3/ and Fe/sub 2/O/sub 3/-Tb/sub 2/..omega../sub 3/ systems. Both of them are noncompensated antiferromagnetics. Thermal-physical properties of TbFeO/sub 3/ were determined. Values of Csub(p),(Hsub(t)-Hsub(o)) and Ssub(T) in the temperature range 298 to 700 deg K for Y/sub 3/Fe/sub 5/O/sub 12/ and in the range 298 to 600 deg K for TbFeO/sub 3/ were calculated using the experimental data on TbFeO/sub 3/ and Y/sub 3/Fe/sub 5/O/sub 12/ thermal capacity. Magnetic contribution for Y/sub 3/Fe/sub 5/O/sub 12/ Usub(mag)=1617 cal/mol and ..delta..S=3.44 cal/mol.deg. was determined.

  19. Study of the structure and ferroelectric behavior of BaBi{sub 4-x}La{sub x}Ti{sub 4}O{sub 15} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Khokhar, Anita, E-mail: mails4anita@gmail.com; Sreenivas, K. [Department of Physics & Astrophysics, University of Delhi, Delhi-110 007 (India); Goyal, Parveen K. [Department of Physics, ARSD College, University of Delhi, Dhaula Kuan, New Delhi-110 021 (India); Thakur, O. P. [Electroceramics Group, Solid State Physics Laboratory, Lucknow Road, Delhi 110 054 (India)

    2015-06-24

    The structure and ferroelectric properties of Lanthanum substituted barium bismuth titanate BaBi{sub 4-x}La{sub x}Ti{sub 4}O{sub 15} (0 ≤ x ≤ 0.5) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material. The distribution of lanthanum into the perovskite layers and (Bi{sub 2}O{sub 2}){sup 2+} layers of BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics have been revealed through Raman spectroscopy. At lower value of x, it is seen that La{sup 3+} ions prefer to substitute A-site Bi{sup 3+} ions in the perovskite layers while for higher x values, La{sup 3+} ions get incorporated into the (Bi{sub 2}O{sub 2}){sup 2+} layers. A critical La content of x ∼ 0.2 in BaBi{sub 4-x}La{sub x}Ti{sub 4}O{sub 15} is seen to exhibit a large remnant polarization (P{sub r}) with low coercive field (E{sub c}). The improvement in the ferroelectric properties of La substituted BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of lanthanum ion.

  20. B<sub>12sub>P>2sub>: Improved Epitaxial Growth and Evaluation of Alpha Irradiation on its Electrical Transport Properties

    Energy Technology Data Exchange (ETDEWEB)

    Frye, Clint D. [Kansas State Univ., Manhattan, KS (United States)

    2016-10-17

    The wide bandgap (3.35 eV) semiconductor icosahedral boron phosphide (B<sub>12sub>P>2sub>) has been reported to self-heal from radiation damage from β particles (electrons) with energies up to 400 keV by demonstrating no lattice damage using transmission electron microscopy. This property could be exploited to create radioisotope batteries–semiconductor devices that directly convert the decay energy from a radioisotope to electricity. Such devices potentially have enormous power densities and decades-long lifetimes. To date, the radiation hardness of B<sub>12sub>P>2sub> has not been characterized by electrical measurements nor have B<sub>12sub>P>2sub> radioisotope batteries been realized. Therefore, this study was undertaken to evaluate the radiation hardness of B<sub>12sub>P>2sub> after improving its epitaxial growth, developing ohmic electrical contacts, and reducing the residual impurities. Subsequently, the effects of radiation from a radioisotope on the electrical transport properties of B<sub>12sub>P>2sub> were tested.

  1. RE{sub 2}B{sub 8}O{sub 15} (RE = La, Pr, Nd). Syntheses of three new rare earth borates isotypic to Ce{sub 2}B{sub 8}O{sub 15}

    Energy Technology Data Exchange (ETDEWEB)

    Glaetzle, Matthias; Hoerder, Gregor J.; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2016-08-01

    The rare earth borates RE{sub 2}B{sub 8}O{sub 15} (RE = La, Pr, Nd) were synthesized in a Walker-type multianvil apparatus under conditions of 5.5 GPa and 1100 C. Starting from the corresponding rare earth oxides and boron oxide, the syntheses yielded crystalline products of all new compounds that allowed crystal structure analyses based on single-crystal X-ray diffraction data for La{sub 2}B{sub 8}O{sub 15} and Nd{sub 2}B{sub 8}O{sub 15}. The compound Pr{sub 2}B{sub 8}O{sub 15} could be characterized via X-ray powder diffractometry. The results show that the new compounds crystallize isotypically to Ce{sub 2}B{sub 8}O{sub 15} in the monoclinic space group P2/c. The infrared spectra of RE{sub 2}B{sub 8}O{sub 15} (RE = La, Pr, Nd) have also been studied.

  2. 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.

  3. Magnetic and photoluminescence properties of Fe{sub 3}O{sub 4}-SiO{sub 2}-YP{sub 1-x}V{sub x}O{sub 4}:Dy{sup 3+} nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Shi Jianhui; Liu Deming; Tong Lizhu; Yang Xuwei [College of Chemistry, Jilin University, Changchun, 130012 (China); Yang Hua, E-mail: huayang86@sina.com [College of Chemistry, Jilin University, Changchun, 130012 (China)

    2011-10-20

    Highlights: > Bifunctional Fe{sub 3}O{sub 4}-SiO{sub 2}-YP{sub 0.1}V{sub 0.9}O{sub 4}:Dy{sup 3+} nanocomposite was fabricated by a sol-gel method. > The structure, luminescent and magnetic properties were characterized of the nanocomposites. > It is shown that the nanocomposite with a core-shell structure has excellent fluorescent and magnetic properties. > The effects of the magnetic field on the luminescence properties of nanocomposite were discussed. - Abstract: In this paper, we report on the bifunctional Fe{sub 3}O{sub 4}-SiO{sub 2}-YP{sub 0.1}V{sub 0.9}O{sub 4}:Dy{sup 3+} nanocomposites were prepared by the solvothermal method and sol-gel method. The structure, photoluminescence (PL) and magnetic properties of the nanocomposites were characterized by means of X-ray diffraction, scanning electron microscope, transmission electron microscope, PL excitation and emission spectra and vibration sample magnetometry. It is shown that Fe{sub 3}O{sub 4}-SiO{sub 2}-YP{sub 0.1}V{sub 0.9}O{sub 4}:Dy{sup 3+} nanocomposites with a core-shell structure present excellent fluorescent and magnetic properties. Additionally, the effects of the magnetic field on the luminescence properties of nanocomposites were discussed.

  4. 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 ...

  5. Growth and Characterization of Ce- Substituted Nd<sub>2sub>Fe>14sub>11B Single Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Susner, M. A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Conner, B. S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Saparov, B. I. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; McGuire, M. A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Crumlin, E. J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source; Veith, G. M. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source; Cao, H. B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division; Shanavas, K. V. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Parker, D. S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Chakoumakos, B. C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division; Sales, B. C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division

    2015-08-31

    Single crystals of (Nd<sub>1-xsub>Cex)>2sub>Fe>14sub>B are grown out of Fe-(Nd,Ce) flux. Chemical and structural analysis of the crystals indicates that (Nd<sub>1-xsub>Cex)>2sub>Fe>14sub>B forms a solid solution until at least x = 0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Furthermore, magnetization measurements show that for x = 0.38 the saturation magnetization at 400 K, a temperature important to applications, falls from 29.8 for the parent Nd<sub>2sub>Fe>14sub>B to 27.6 μ<sub>B>/f.u., the anisotropy field decreases from 5.5 T to 4.7 T, and the Curie temperature decreases from 586 to 543 K. First principles calculations carried out within density functional theory are used to explain the decrease in magnetic properties due to Ce substitution. Although the presence of the lower-cost and more abundant Ce slightly affects these important magnetic characteristics, this decrease is not large enough to affect a multitude of applications. Ce-substituted Nd<sub>2sub>Fe>14sub>B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.

  6. Plasmonic Ag{sub 2}MoO{sub 4}/AgBr/Ag composite: Excellent photocatalytic performance and possible photocatalytic mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhongliao [College of Physics and Electronic Information, Anhui Key Laboratory of Energetic Materials, Huaibei Normal University, Huaibei, 235000 (China); Zhang, Jinfeng, E-mail: zjf_y2004@126.com [College of Physics and Electronic Information, Anhui Key Laboratory of Energetic Materials, Huaibei Normal University, Huaibei, 235000 (China); Lv, Jiali [College of Physics and Electronic Information, Anhui Key Laboratory of Energetic Materials, Huaibei Normal University, Huaibei, 235000 (China); Dai, Kai, E-mail: daikai940@chnu.edu.cn [College of Physics and Electronic Information, Anhui Key Laboratory of Energetic Materials, Huaibei Normal University, Huaibei, 235000 (China); Liang, Changhao [College of Physics and Electronic Information, Anhui Key Laboratory of Energetic Materials, Huaibei Normal University, Huaibei, 235000 (China); Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei, 230031 (China)

    2017-02-28

    Highlights: • Novel Ag{sub 2}MoO{sub 4}/AgBr/Ag photocatalyst was prepared. • Ag{sub 2}MoO{sub 4}/AgBr/Ag showed high photocatalytic activity. • Ag{sub 2}MoO{sub 4}/AgBr/Ag showed long reusable life. - Abstract: Plasmonic Ag{sub 2}MoO{sub 4}/AgBr/Ag composite is fabricated by in-situ ion exchange and reduction methods at room temperature. The samples are characterized by X-ray diffraction (XRD), UV–vis diffuse reflectance (DRS), energy-dispersive X-ray spectroscopy (EDS), scanning electron microscope (SEM) and photoluminescence (PL) measurements. The results show that butterfly-like Ag{sub 2}MoO{sub 4} nanosheets served as the precursor, and Ag{sub 2}MoO{sub 4}/AgBr/Ag is formed in phase transformation with MoO{sub 4}{sup 2−} displaced by Br{sup −}. The ternary Ag{sub 2}MoO{sub 4}/AgBr/Ag composite photocatalysts show greatly enhanced photocatalytic activity in photodegrading methylene blue (MB) under visible light irradiation compared with AgBr and Ag{sub 2}MoO{sub 4}. The pseudo-first-order rate constant k{sub app} of Ag{sub 2}MoO{sub 4}/AgBr/Ag is 0.602 min{sup −1}, which is 11.6 and 18.3 times as high as that of AgBr and Ag{sub 2}MoO{sub 4}, respectively. Meanwhile, the efficiency of degradation still kept 90% after ten times cyclic experiments. Eventually, possible photocatalytic mechanism was proposed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1968-07-01

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

  8. Phonon and magnon scattering of Bi{sub 2}Fe{sub 4}O{sub 9} ceramic

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Poorva, E-mail: vdinesh33@rediffmail.com, E-mail: vdinesh33@rediffmail.com; Kumar, Ashwini, E-mail: vdinesh33@rediffmail.com, E-mail: vdinesh33@rediffmail.com; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com, E-mail: vdinesh33@rediffmail.com [School of Physics, Vigyan Bhawan, Devi Ahilya University, Khandwa Road Campus, Indore-452001 (India)

    2014-04-24

    We report the phonon structure of Bi{sub 2}Fe{sub 4}O{sub 9} ceramics as synthesized by solid-state reaction route. Rietveld refined X-ray diffraction patterns confirmed the formation of single-phase perovskite structure and all the peaks of Bi{sub 2}Fe{sub 4}O{sub 9} perfectly indexed to the orthorhombic (space group Pbam). Raman scattering measurements identifies 12A{sub g}+1B{sub 2g}+1B{sub 3g} Raman active optical phonon modes. Apart from phonon scattering, mode at 470 cm{sup −1} is observed which is due to magnon scattering. The P-E loop infers paraelectric nature of Bi{sub 2}Fe{sub 4}O{sub 9}.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-06-15

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

  10. The magnetic properties of oxide spinel Li{sub 0.5}Fe{sub 2.5-2x}Al{sub x}Cr{sub x}O{sub 4} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Sidi bouzid, Safi (Morocco); LMPHE, Faculte des Sciences, Universite Mohamed V, Rabat (Morocco); Hamedoun, M. [Institute for Nanomaterials and Nanotechnologies, MaScIR, Rabat (Morocco); Academie Hassan II des Sciences et Techniques, Rabat (Morocco); Benyoussef, A. [LMPHE, Faculte des Sciences, Universite Mohamed V, Rabat (Morocco); Institute for Nanomaterials and Nanotechnologies, MaScIR, Rabat (Morocco); Academie Hassan II des Sciences et Techniques, Rabat (Morocco)

    2012-04-01

    The exchange interactions (J{sub BB} and J{sub AB} are the intra and the inter-sublattice exchange interactions between neighbouring spins, respectively) are obtained by using the general expressions of canting angle and critical temperature obtained by mean field theory of Li{sub 0.5}Fe{sub 2.5-2x}Al{sub x}Cr{sub x}O{sub 4}. The expression of magnetic energy of Li{sub 0.5}Fe{sub 2.5-2x}Al{sub x}Cr{sub x}O{sub 4} is obtained for different spin configurations and dilution x. The saturation magnetisation of Li{sub 0.5}Fe{sub 2.5-2x}Al{sub x}Cr{sub x}O{sub 4} is obtained with different values of dilution x. The magnetic phase diagram of Li{sub 0.5}Fe{sub 2.5-2x}Al{sub x}Cr{sub x}O{sub 4} materials is obtained by high temperature series expansions (HTSEs). The critical exponent associated with the magnetic susceptibility of Li{sub 0.5}Fe{sub 2.5-2x}Al{sub x}Cr{sub x}O{sub 4} is deduced.

  11. The selectivity of catalysts composed of V/sub 2/O/sub 5/ supported on ZrO/sub 2/-Y/sub 2/O/sub 3/ mixed oxides for methanol oxidation

    International Nuclear Information System (INIS)

    VanOmmen, J.G.; Gellings, P.J.; Ross, J.R.H.

    1988-01-01

    V/sub 2/O/sub 5/ monolayer catalysts were prepared on ZrO/sub 2/ and ZrO/sub 2/ doped with Y/sub 2/O/sub 3/ by two methods. The coverages obtained are only half a monolayer and did not depend on the preparation method or type of support. The selectivity for oxidation of methanol over these V/sub 2/O/sub 5/ catalysts changes from a predominance of formaldehyde to a predominance of methyl formate when the support is doped with Y/sub 2/C/sub 3/, independent of the amount of Y/sub 2/O/sub 3/

  12. Study of microstructure and correlative magnetic property in bulk Fe{sub 61}Nd{sub 10}B{sub 25}Nb{sub 4} permanent magnet

    Energy Technology Data Exchange (ETDEWEB)

    Man, H.; Xu, H. [Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Liu, H.W. [The Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Tan, X.H., E-mail: tanxiaohua123@163.com [Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Peng, J.C.; Bai, Q. [Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China)

    2012-11-01

    Highlights: Black-Right-Pointing-Pointer A fully dense bulk Fe{sub 61}Nd{sub 10}B{sub 25}Nb{sub 4} permanent magnet was obtained by the simple process of copper mold casting and subsequent annealed at 943 K. Black-Right-Pointing-Pointer The relationship between microstructures and correlative magnetic property of Fe{sub 61}Nd{sub 10}B{sub 25}Nb{sub 4} alloy was investigated. Black-Right-Pointing-Pointer The high value of intrinsic coercivity of 1191 kA/m was obtained due to the existence of hard magnetic Nd{sub 2}Fe{sub 14}B phase. - Abstract: The correlation between microstructure and magnetic property of a bulk Fe{sub 61}Nd{sub 10}B{sub 25}Nb{sub 4} alloy are investigated. The microstructure of the as-cast Fe{sub 61}Nd{sub 10}B{sub 25}Nb{sub 4} alloy shows a small amount of NbFeB phase with a grain size of 500 nm embedded in an amorphous matrix. The as-cast sample shows soft magnetic behavior at room temperature, after a heat treatment the hard magnetic properties are observed. A fully dense bulk Fe{sub 61}Nd{sub 10}B{sub 25}Nb{sub 4} permanent magnet is obtained with an intrinsic coercivity ({sub i}H{sub c}) of 1191 kA/m and a maximum energy product ((BH){sub max}) of 31.7 kJ/m{sup 3} after annealing at 943 K for 20 min. The corresponding microstructure consists of Nd{sub 2}Fe{sub 14}B, NdFe{sub 4}B{sub 4} and NbFeB phases. The existence of the hard magnetic Nd{sub 2}Fe{sub 14}B phase is the reason resulting in a high value of {sub i}H{sub c}. On the other hand, the influences of NdFe{sub 4}B{sub 4} and NbFeB phases in the annealed specimen on the magnetic properties are also discussed.

  13. Synthesis and characterization of the lead borate Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Schoenegger, Sandra; Ortner, Teresa S.; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2016-11-01

    A lead borate with the composition Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} was synthesized through a hydrothermal synthesis, using lead metaborate in combination with sodium nitrate and potassium nitrate. The compound crystallizes in the trigonal, non-centrosymmetric space group P3{sub 2} (no. 145) with the lattice parameters a = 1176.0(4), c = 1333.0(4) pm, and V = 0.1596(2) nm{sup 3}. Interestingly, the data of Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} correct the structure of a literature known lead borate with the composition ''Pb{sub 6}B{sub 11}O{sub 18}(OH){sub 9}''. For the latter compound, nearly identical lattice parameters of a = 1176.91(7) and c = 1333.62(12) pm were reported, possessing a crystal structure, in which the localization and refinement of one boron atom was obviously overlooked. The structure of Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} is built up from trigonal planar BO{sub 3} and tetrahedral BO{sub 4} groups forming complex chains. The Pb{sup 2+} cations are located between neighboring polyborate chains. The here reported compound Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} and ''Pb{sub 6}B{sub 11}O{sub 18}(OH){sub 9}'' were, however, produced under different synthesis conditions. While ''Pb{sub 6}B{sub 11}O{sub 18}(OH){sub 9}'' was synthesized via a hydrothermal synthesis including ethylenediamine and acetic acid, the here reported lead borate Pb{sub 6}B{sub 12}O{sub 21}(OH){sub 6} could be obtained under moderate hydrothermal conditions (240 C) without the addition of organic reagents.

  14. New high-pressure polymorph of In{sub 2}S{sub 3} with defect Th{sub 3}P{sub 4}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Xiaojing; Zhu, Feng; Wu, Ye; Huang, Rong [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: xiang.wu@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Zhang, Qian [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Yang, Ke [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Qin, Shan, E-mail: sqin@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China)

    2014-02-15

    The high pressure behavior of β-In{sub 2}S{sub 3} (I4{sub 1}/amd and Z=16) has been studied by in situ synchrotron radiation X-ray diffraction combined with diamond anvil cell up to 71.7 GPa. Three pressure-induced phase transitions are evidenced at ∼6.6 GPa, ∼11.1 GPa at room temperature and 35.6 GPa after the high-temperature annealing using a portable laser heating system. The new polymorph of In{sub 2}S{sub 3} at 35.6 GPa is assigned to the denser cubic defect Th{sub 3}P{sub 4} structure (I4¯3d and Z=5.333), whose unit-cell parameters are a=7.557(1) Å and V=431.6(2) Å{sup 3}. The Th{sub 3}P{sub 4}-type phase can be stable at least up to 71.7 GPa and cannot be preserved at ambient pressure. The pressure–volume relationship is well described by the second-order Birch–Murnaghan Equation of State, which yields B{sub 0}=63(3) GPa and B{sub 0}′=4 (fixed) for the β-In{sub 2}S{sub 3} phase and B{sub 0}=87(3) GPa and B{sub 0}′=4 (fixed) for the defect Th{sub 3}P{sub 4}-type phase respectively. - Graphical abstract: The structure and Rietveld refinement of new polymorph the defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3}. This structure was observed at 35.6 GPa after laser heating by X-ray diffraction. Display Omitted - Highlights: Three pressure-induced phase transitions of β-In{sub 2}S{sub 3} were observed. β-In{sub 2}S{sub 3} was stable up to 6.6 GPa. The defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} was identified at 35.6 GPa after laser heating and was stable up to 71.7 GPa. Elastic properties of β-In{sub 2}S{sub 3} and Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} are well presented by Birch–Murnaghan EoS.

  15. Monoclinic superstructure of Pr{sub 3}Rh{sub 4}Ge{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Vosswinkel, Daniel; Hoffmann, Rolf-Dieter; Greiwe, Magnus; Eul, Matthias; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2016-07-01

    Pr{sub 3}Rh{sub 4}Ge{sub 4} was synthesized by melting of the elements in an arc-melting furnace followed by annealing in a sealed tantalum ampoule in a muffle furnace. Structure refinement was based on temperature dependent single-crystal X-ray diffractometer data. At ambient temperature Pr{sub 3}Rh{sub 4}Ge{sub 4} adopts the U{sub 3}Ni{sub 4}Si{sub 4} type structure with strongly enhanced anisotropic displacement parameters for Rh1. Below 230 K additional reflections start to appear and at 110 K the structure could be described with the (3+1)D superspace group I2/m(α0γ)00; α=1/2, γ=1/2; (Z=2). This commensurately modulated structure could be refined with 1448 F{sup 2} values, 39 variables and residuals of wR=0.0417 for the main reflections and wR=0.1520 for the satellites of 1{sup st} order, [a=408.36(2), b=421.12(3) and c=2504.4(2) pm]. The commensurate description could be transformed to a 3D supercell with space group A2/m and Z=4: a=816.72(2), b=421.12(3), c=2537.5(1) pm, β=99.26(1) , 1448 F{sup 2} values, 69 variables and wR=0.0499. The relation of the U{sub 3}Ni{sub 4}Si{sub 4} type structure, the (3+1)D modulated and the 3D supercell is discussed on the basis of a group-subgroup scheme. Temperature dependent magnetic susceptibility data reveal Curie-Weiss paramagnetism with an experimental moment of 3.72(2) μ{sub B}/Pr atom and a Weiss constant of -12.6(5) K. No magnetic ordering is evident down to 3 K.

  16. Quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Iyer, Abishek K.; Lee, Emma J.; Bernard, Guy M.; Michaelis, Vladimir K.; Mar, Arthur [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang (China)

    2017-12-13

    The quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7} were prepared by reactions of the elements at 1050 C and 950 C, respectively. They adopt noncentrosymmetric structures [hexagonal, space group P6{sub 3}, Z = 2; a = 10.2993(11) Aa, c = 6.0921(6) Aa for La{sub 3}Sn{sub 0.5}InS{sub 7}; a = 10.6533(7) Aa, c = 6.4245(4) Aa for La{sub 3}Sn{sub 0.5}InSe{sub 7}] in which the half-occupancy of Sn atoms within octahedral sites classifies them as belonging to the La{sub 3}Mn{sub 0.5}SiS{sub 7}-type branch of the large family of quaternary rare-earth chalcogenides RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7}. The site distribution in La{sub 3}Sn{sub 0.5}InCh{sub 7}, with higher-valent Sn atoms occupying octahedral instead of tetrahedral sites, is reversed from the typical situation observed in other RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7} compounds. The ordered distribution of Sn atoms in octahedral sites and In atoms in tetrahedral sites was evaluated by bond valence sum analyses. Moreover, {sup 119}Sn solid-state nuclear magnetic resonance (NMR) spectroscopy confirms the occupation of Sn{sup 4+} species exclusively within octahedral sites. An optical bandgap of 1.45 eV was found for La{sub 3}Sn{sub 0.5}InS{sub 7}. Band structure calculations on an ordered superstructure model of La{sub 3}Sn{sub 0.5}InS{sub 7} reveal that avoidance of strongly Sn-S antibonding levels is an important driving force for the Sn deficiency. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Studies of the pressure-induced phase transition of C sub 3 N sub 6 H sub 6

    CERN Document Server

    Ma Hong An; Cui Qi Liang; Pan Yue Wu; Zhu Pin Wen; Guo Wei; Chen Li Xue; Ren Guo Zheng; Zou Guang Tian; LiuJing

    2002-01-01

    In situ high pressure energy dispersive X-ray diffraction experiments have been carried out on C sub 3 N sub 6 H sub 6 by using diamond anvil cell (DAC) device with synchrotron radiation source. Two structural phase transitions of C sub 3 N sub 6 H sub 6 have been observed within 14.7 GPa pressure range, from monoclinic to triclinic structure at 1.3 GPa and from triclinic to orthorhombic structure at 8.2 GPa, respectively

  18. Transport properties of the LiNi{sub 1-y}Co{sub y}O{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Molenda, J.; Wilk, P.; Marzec, J. [Department of Solid State Chemistry, Stanislaw Staszic University of Mining and Metallurgy, Al. A. Mickiewicza 30, 30-059 Cracow (Poland)

    1999-04-15

    In this paper results are presented concerning structure, electrical conductivity and thermoelectric power measurements of the LiNi{sub 1-y}Co{sub y}O{sub 2} system. It has been stated that holes are dominating carriers. It has been also found that cobalt worsens the transport properties of the LiNi{sub 1-y}Co{sub y}O{sub 2} system

  19. New quaternary indides RE{sub 7}Ni{sub 5-x}Ge{sub 3+x}In{sub 6} (RE = La, Nd, Sm)

    Energy Technology Data Exchange (ETDEWEB)

    Dominyuk, Nataliya [Lviv Univ. (Ukraine). Dept. of Inorganic Chemistry; Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Zaremba, Vasyl I. [Lviv Univ. (Ukraine). Dept. of Inorganic Chemistry; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2011-04-15

    The quaternary indides RE{sub 7}Ni{sub 5-x}Ge{sub 3+x}In{sub 6} (RE = La,Nd, Sm) were synthesized from the elements by arc-melting. Single crystals were grown by slow cooling of the polycrystalline samples. The structures were characterized by powder and single-crystal X-ray diffraction: Ce{sub 7}Ni{sub 4.73}Ge{sub 3.27}In{sub 6} type, P6/m, Z = 1, a = 1147.05(9), c = 426.82(4) pm, wR2 = 0.0652, 528 F{sup 2} values for La{sub 7}Ni{sub 4.46}Ge{sub 3.54}In{sub 6}, a = 1134.5(7), c = 407.1(7) pm, wR2 = 0.0419, 441 F{sup 2} values for Nd{sub 7}Ni{sub 4.91}Ge{sub 3.09}In{sub 6}, and a = 1133.5(2), c = 404.3(1) pm, wR2 = 0.0619, 498 F{sup 2} values for Sm{sub 7}Ni{sub 4.31}Ge{sub 3.69}In{sub 6}, with 25 parameters per refinement. Characteristic features of the RE{sub 7}Ni{sub 5-x}Ge{sub 3+x}In{sub 6} structures are hexagonal, AlB{sub 2}-related prisms around the RE1 atoms and a tricapped, trigonalprismatic coordination of the nickel atoms. (orig.)

  20. Preparation and property of magnetic photocatalyst BiOCl/Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Shan; Xu, Longjun, E-mail: xulj@cqu.edu.cn; Liu, Chenglun [State Key Laboratory of Coal Mine Disaster Dynamics and Control (China); Du, Haigang [Liupanshui Normal University, Department of Mining Engineering (China); Xie, Taiping [State Key Laboratory of Coal Mine Disaster Dynamics and Control (China); Zhu, Qianqian [Chongqing University, College of Chemistry and Chemical Engineering (China)

    2017-02-15

    The magnetic photocatalyst BiOCl/Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4} was prepared by impregnation-calcination method. The structure and properties of the prepared photocatalyst were characterized by FTIR, XRD, SEM, TEM, UV–vis DRS, and VSM. Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4} inhibited the growth along (001) crystal face and promoted (110) crystal surface exposure of BiOCl. The as-prepared magnetic composite appeared flower-like microspheres assembled with nanosheets. The average crystallite size and the nanosheet thickness range of BiOCl/Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4} were 57.6 and 75.7–112.2 nm, respectively. The band gap energy (E{sub g}) of BiOCl/Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4} was 2.48 eV, which was lower than that of BiOCl. The saturation magnetization (Ms), coercive force (Hc), and remanent magnetization (Mr) of BiOCl/Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4} were respectively 4.64 emu g{sup −1}, 50.12 G and 0.09 emu g{sup −1}, indicating a good resistance to demagnetization and paramagnetism. The optimum synthesis condition of BiOCl/Mn{sub x}Zn{sub 1−x}Fe{sub 2}O{sub 4} was obtained by orthogonal experiments, and the degradation ratio of RhB with the photocatalyst was 99.6% at 30 min. After four cycles, the degradation ratio of RhB with the recovered photocatalyst was still above 83%.

  1. 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.

  2. 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.

  3. Structure and crystallization kinetics of Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Yin [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China); Xiao Hanning [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China)]. E-mail: zjbcy@126.com; Guo Wenming [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China); Guo Weiming [College of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082 (China)

    2006-05-15

    The experimental IR (infrared spectra) and differential scanning calorimetry (DSC) curves of Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses, containing 30-60 mol% Bi{sub 2}O{sub 3}, have been investigated in the article. The composition dependence of IR absorption suggests that addition of Bi{sub 2}O{sub 3} results in a change in the short-range order structure of the borate matrix. The increase of Bi{sub 2}O{sub 3} content causes a progressive conversion of [BO{sub 3}] to [BO{sub 4}] units. Bi{sub 2}O{sub 3}, in the form of [BiO{sub 6}] octahedral units, plays the role of glass former. The crystallization kinetics of Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses were described by thermal stability indexes (k {sub gl}, {delta}T), activation energy (E) for crystallization and numerical factors(n, m) depending on the nucleation process and growth morphology, which were calculated by Satava method and the modified Ozawa-Chen method. When Bi{sub 2}O{sub 3} {<=} 45 mol%, the increase of Bi{sub 2}O{sub 3} tends to improve the thermal stabilities of the glasses. In this case, k {sub gl} may be more suitable for estimating the glass thermal stability in above composition range than {delta}T. A further increase of Bi{sub 2}O{sub 3} content will increase the crystallization trends of investigated glasses. Two possible kinds of growth mechanisms were involved in Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses: one-dimensional growth and two-dimensional growth. Moreover, structures of crystallized glasses were observed by X-ray diffraction (XRD). BiBO{sub 3} crystal with special non-linear optical properties can be obtained when Bi{sub 2}O{sub 3} {>=} 50 mol%.

  4. Interactions of a La{sub O.9}Sr{sub O.1}Ga{sub O.8}Mg{sub O.2}O{sub 3-{delta}} electrolyte with Fe{sub 2}O{sub 3}, Co{sub 2}O{sub 3} and NiO anode materials

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, X.; Ohara, S.; Okawa, H.; Maric, R.; Fukui, T. [Japan Fine Ceramics Center, 2-4-1 Mutsuo, Atsuta-ku, 456-8587 Nagoya (Japan)

    2001-01-02

    In this study, the interactions of a Sr- and Mg-doped lanthanum gallate (LSGM with composition La{sub O.9}Sr{sub O.1}Ga{sub O.8}Mg{sub O.2}O{sub 3-{delta}}) electrolyte with Fe{sub 2}O{sub 3}, Co{sub 2}O{sub 3} and NiO as the anode starting materials were investigated. It was found that the order of reactivity of the LSGM with the three oxides was Co{sub 2}O{sub 3}>NiO>Fe{sub 2}O{sub 3}, and La-containing oxides were detected in these binary powder mixtures after firing. The anode performance was greatly influenced by the interaction. The Fe{sub 2}O{sub 3}-LSGM anode, mixed with 40 vol.% LSGM powder and sintered at 1150C, exhibited the highest initial performance in comparison with NiO-LSGM and Co{sub 2}O{sub 3}-LSGM anodes. It seems that Fe{sub 2}O{sub 3} is a possible anode starting material for a LSGM-based solid oxide fuel cell.

  5. Ab initio study of the magnetic ordering in the semiconductors Mn{sub x}Ti{sub 1-x}O{sub 2}, Co{sub x}Ti{sub 1-x}O{sub 2} and Fe{sub x}Ti{sub 1-x}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Errico, L.A. [Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 67, 1900, La Plata (Argentina)]. E-mail: errico@fisica.unlp.edu.ar; Weissmann, M. [Departamento de Fisica, Comision Nacional de Energia Atomica, Avda. del Libertador 8250, 1429 Buenos Aires (Argentina); Renteria, M. [Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 67, 1900, La Plata (Argentina)

    2004-12-31

    In this work we present a set of density-functional-theory calculations in the systems Mn{sub x}Ti{sub 1-x}O{sub 2}, Fe{sub x}Ti{sub 1-x}O{sub 2}, and Co{sub x}Ti{sub 1-x}O{sub 2}. The calculations were performed with the full-potential linearized augmented plane wave method, assuming that the magnetic impurities substitutionally replace the Ti ions and considering different distributions of them in the host lattice. Our results show that the system Co{sub x}Ti{sub 1-x}O{sub 2} is ferromagnetic, while Mn{sub x}Ti{sub 1-x}O{sub 2} is antiferromagnetic. In both cases, this is independent of the distribution of the impurities in the TiO{sub 2} lattice. First results obtained in the system Fe{sub x}Ti{sub 1-x}O{sub 2} are also presented.

  6. Charge transfer-type fluorescence of Ti-doped Ca{sub 14}Al{sub 10}Zn{sub 6}O{sub 35}

    Energy Technology Data Exchange (ETDEWEB)

    Satoh, Yuta; Takemoto, Minoru, E-mail: takemoto@chem.kanagawa-it.ac.jp

    2017-05-15

    The calcium aluminum zincates Ca{sub 14}(Al{sub 1-2x}Ti{sub x}Zn{sub x}){sub 10}Zn{sub 6}O{sub 35}, in which Al{sup 3+} sites in the host material Ca{sub 14}Al{sub 10}Zn{sub 6}O{sub 35} are simultaneously substituted by Ti{sup 4+} and Zn{sup 2+}, were synthesized by a polymerized complex method. Al{sup 3+} ions could be replaced up to an x value of 0.1. The host material does not exhibit fluorescence, while the cation-substituted samples show an emission band centered at 383 nm under excitation by UV light at 243 nm. The emission intensity increases with x up to 0.1 and then gradually decreases as x is further increased. The emission wavelength also becomes longer with increasing temperature. Based on the properties of other Ti{sup 4+}-containing fluorescent materials, the emission of Ca{sub 14}(Al{sub 1-2x}Ti{sub x}Zn{sub x}){sub 10}Zn{sub 6}O{sub 35} is attributed to charge transfer-type fluorescence resulting from [TiO{sub 6}] octahedra.

  7. Investigation of complexing in solutions of salt mixture In(NO/sub 3/)/sub 3/-NaVO/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Nakhodnova, A N; Listratenko, I V

    1987-05-01

    Spectrophotometry, conductometry and pH-metry are used to investigate properties and composition of the solid phases of isomolar series of In(NO/sub 3/)/sub 3/-NaVO/sub 3/ salt mixture solutions and series of solutions having constant concentration of one of the components and varied of the other. Results of investigation are presented. It is stated that in the investigated solution series in weakly acid media HPA with the ratios (In/sup 3+/):(V/sup 5+/) being equal to 11:1, 6:1, and 1:9, are formed. Composition of the complexes is mainly defined by the ratio of the components in In(NO/sub 3/)/sub 3/ and NaVO/sub 3/ salt mixture solutions and the medium acidity. Compounds of Na/sub 2/OxIn/sub 2/O/sub 3/x2.5V/sub 2/O/sub 5/x8.5H/sub 2/O and Cs/sub 2/OxIn/sub 2/O/sub 3/x6V/sub 2/O/sub 5/x6.5H/sub 2/O empirical formulae are separated. Results of IR spectroscopy, derivatography and X-ray phase analysis of the corresponding salts are presented.

  8. Method for preparation of textured YBa.sub.2 Cu.sub.3 O.sub.x superconductor

    Science.gov (United States)

    Selvamanickam, Venkat; Goyal, Amit; Kroeger, Donald M.

    1998-01-01

    The present invention relate to textured YBa.sub.2 Cu.sub.3 O.sub.x (Y-123) superconductors and a process of preparing them by directional recrystallization of compacts fabricated from quenched YBCO powders at temperatures about 100.degree. C. below the peritectic temperature to provide a superconductor where more than 75% of the YBa.sub.2 Cu.sub.3 O.sub.x phase is obtained without any Y.sub.2 BaCuO.sub.5 .

  9. Local motifs in GeS{sub 2}–Ga{sub 2}S{sub 3} glasses

    Energy Technology Data Exchange (ETDEWEB)

    Pethes, I., E-mail: pethes.ildiko@wigner.mta.hu [Wigner Research Centre for Physics, Hungarian Academy of Sciences, H-1525 Budapest, P.O. 49 (Hungary); Nazabal, V.; Chahal, R.; Bureau, B. [Institut Sciences Chimiques de Rennes, UMR-CNRS 6226, Campus de Beaulieu, Université de Rennes 1, 35042 Rennes, Cedex (France); Kaban, I. [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); Belin, S. [Synchrotron SOLEIL, L' Orme des Merisiers, Saint Aubin, 91192 Gif sur Yvette (France); Jóvári, P. [Wigner Research Centre for Physics, Hungarian Academy of Sciences, H-1525 Budapest, P.O. 49 (Hungary)

    2016-07-15

    The structure of (GeS{sub 2}){sub 0.75}(Ga{sub 2}S{sub 3}){sub 0.25} and (GeS{sub 2}){sub 0.83}(Ga{sub 2}S{sub 3}){sub 0.17} glasses was investigated by Raman scattering, high energy X-ray diffraction and extended X-ray absorption fine structure (EXAFS) measurements at the Ga and Ge K-edges. The reverse Monte Carlo simulation techni