Bi{sub 1−x}Nb{sub x}O{sub 1.5+x} (x=0.0625, 0.12) fast ion conductors: Structures, stability and oxide ion migration pathways

Energy Technology Data Exchange (ETDEWEB)

Tate, Matthew L. [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); Australian Nuclear Science and Technology Organisation, Lucas Heights 2234, NSW (Australia); Hack, Jennifer [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); Institut Laue-Langevin, Grenoble (France); Kuang, Xiaojun [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); McIntyre, Garry J. [Australian Nuclear Science and Technology Organisation, Lucas Heights 2234, NSW (Australia); Withers, Ray L. [Research School of Chemistry, Australian National University, Canberra, ACT (Australia); Johnson, Mark R. [Institut Laue-Langevin, Grenoble (France); Radosavljevic Evans, Ivana, E-mail: ivana.radosavljevic@durham.ac.uk [Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE (United Kingdom); Australian Nuclear Science and Technology Organisation, Lucas Heights 2234, NSW (Australia)

2015-05-15

A combined experimental and computational study of Bi{sub 1−x}Nb{sub x}O{sub 1.5+x} (x=0.0625 and 0.12) has been carried out using laboratory X-ray, neutron and electron diffraction, impedance measurements and ab-initio molecular dynamics. We demonstrate that Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625}, previously reported to adopt a cubic fluorite-type superstructure, can form two different polymorphs depending on the synthetic method: a metastable cubic phase is produced by quenching; while slower cooling yields a stable material with a tetragonal √2×√2×1 superstructure, which undergoes a reversible phase transition into the cubic form at ~680 °C on subsequent reheating. Neutron diffraction reveals that the tetragonal superstructure arises mainly from ordering in the oxygen sublattice, with Bi and Nb remaining disordered, although structured diffuse scattering observed in the electron diffraction patterns suggests a degree of short-range ordering. Both materials are oxide ion conductors. On thermal cycling, Bi{sub 0.88}Nb{sub 0.12}O{sub 1.62} exhibits a decrease in conductivity of approximately an order of magnitude due to partial transformation into the tetragonal phase, but still exhibits conductivity comparable to yttria-stabilised zirconia (YSZ). Ab-initio molecular dynamics simulations performed on Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625} show that oxide ion diffusion occurs by O{sup 2−} jumps between edge- and corner-sharing OM{sub 4} groups (M=Bi, Nb) via tetrahedral □M{sub 4} and octahedral □M{sub 6} vacancies. - Graphical abstract: Oxide ion migration in tetragonal Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625} occurs by O{sup 2−} jumps between edge- and corner-sharing OM{sub 4} groups (M=Bi, Nb) via tetrahedral M{sub 4} and octahedral M{sub 6} vacancies. - Highlights: • Bi{sub 0.9375}Nb{sub 0.0625}O{sub 1.5625} adopts a tetragonal √2×√2×1 fluorite superstructure. • Superstructure is due to ordering in the O-sublattice, with Bi

Features of the structural and magnetic properties of Pb(TixZr1–xO3-NiFe1.98Co0.02O4 in the polarized state

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Baev Vadim

2017-06-01

Full Text Available Composites with a 90%Pb(TixZr1-xO3-10%NiFe1.98Co0.02O4 composition have been synthesized. It has been established that the polarization of samples resulting from exposure to an electric field for 1 hour of 4 kV/mm in strength at a temperature of 400 K leads to crystal structure deformation. The compression of elementary crystal cells in some areas during polarization of the sample creates conditions suitable for the enhancement of magnetic exchange interactions. It has been found that the polarization process of such compositions leads to increases in specific magnetization and magnetic susceptibility. The analysis of Mössbauer spectra has shown that the polarization of the 90%Pb(TixZr1-xO3-10%NiFe1.98Co0.02O4 composite leads to significant changes in the effective magnetic fields of iron subspectra in various positions.

The rates and mechanisms of water exchange of actinide aqua ions: A variable temperature 17O NMR study of U(H2O)104+, UF(H2O)93+, and Th(H2O)104+

International Nuclear Information System (INIS)

Farkas, I.; Grenthe, I.; Banyai, I.

2000-01-01

The rate constants and the activation parameters for the exchange between water solvent and [U(H 2 O) 10 ] 4+ and [UF(H 2 O) 9 ] 3+ , and a lower limit for the rate constant at room temperature for [Th(H 2 O) 10 ] 4+ , were determined by 17 O NMR spectroscopy in the temperature range 255--305 K. The experiments were made at different constant hydrogen ion concentrations, which varied between 0.16 and 0.8 mol kg -1 . The Th(IV) system was investigated using Tb 3+ as a shift reagent. The following kinetic parameters at 25 C were obtained: k ex = (5.4 ± 0.6) 10 6 x -1 , ΔH double dagger = 34 ± 3 kJ mol -1 , ΔS ++ = -16 ± 10 J mol -1 K -1 for U 4+ (aq), k ex = (5.5 ± 0.7) 10 6 x -1 , ΔH d ouble dagger = 34 ± 3 kJ mol -1 , ΔS ++ = 3 ± 15 J mol -1 K -1 for UF 3+ (Iaq), and k ex > 5 10 7 s -1 for Th 4+ (aq), where the uncertainty is given at the 2σ-level. This is the first experimental information on the kinetic parameters for the exchange of water for any M 4+ ion. There is no information on the rates and mechanisms of ligand substitutions involving other mono-dentate ligands, hence the mechanistic interpretation of the data is by necessity provisional. The kinetic data and the known ground-state geometry with a coordination number of 10 ± 1 for the Th(IV) and U(IV) complexes suggest a dissociatively activated interchange mechanism. There is no noticeable effect of coordination of one fluoride or one hydroxide to U(IV) on the water exchange rate. This is unusual, for other metal ions there is a strong labilizing of coordinated water when a second ligand is bonded, e.g., in complexes of aluminum and some d-transition elements. In previous studies of the rates and mechanisms of ligand exchange in uranium (VI) systems the authors found a strong decrease in the lability of coordinated water in some fluoride containing complexes

Reticular V2O5·0.6H2O Xerogel as Cathode for Rechargeable Potassium Ion Batteries.

Science.gov (United States)

Tian, Bingbing; Tang, Wei; Su, Chenliang; Li, Ying

2018-01-10

Potassium ion batteries (KIBs), because of their low price, may exhibit advantages over lithium ion batteries as potential candidates for large-scale energy storage systems. However, owing to the large ionic radii of K-ions, it is challenging to find a suitable intercalation host for KIBs and thus the rechargeable KIB electrode materials are still largely unexplored. In this work, a reticular V 2 O 5 ·0.6H 2 O xerogel was synthesized via a hydrothermal process as a cathode material for rechargeable KIBs. Compared with the orthorhombic crystalline V 2 O 5 , the hydrated vanadium pentoxide (V 2 O 5 ·0.6H 2 O) exhibits the ability of accommodating larger alkali metal ions of K + because of the enlarged layer space by hosting structural H 2 O molecules in the interlayer. By intercalation of H 2 O into the V 2 O 5 layers, its potassium electrochemical activity is significantly improved. It exhibits an initial discharge capacity of ∼224.4 mA h g -1 and a discharge capacity of ∼103.5 mA h g -1 even after 500 discharge/charge cycles at a current density of 50 mA g -1 , which is much higher than that of the V 2 O 5 electrode without structural water. Meanwhile, X-ray diffraction and X-ray photoelectron spectroscopy combined with energy dispersive spectroscopy techniques are carried out to investigate the potassiation/depotassiation process of the V 2 O 5 ·0.6H 2 O electrodes, which confirmed the potassium intercalation storage mechanisms of this hydrated material. The results demonstrate that the interlayer-spacing-enlarged V 2 O 5 ·0.6H 2 O is a promising cathode candidate for KIBs.

The influence of crystal structure on ion-irradiation tolerance in the Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} series

Energy Technology Data Exchange (ETDEWEB)

Aughterson, R.D., E-mail: roa@ansto.gov.au [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Lumpkin, G.R.; Reyes, M. de los [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Gault, B. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Baldo, P.; Ryan, E. [Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Whittle, K.R. [Centre for Materials and Structures, School of Engineering, The University of Liverpool, Liverpool L69 3GH UK (United Kingdom); Smith, K.L. [Government International and External Relations, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Cairney, J.M. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia)

2016-04-01

This ion-irradiation study covers the four major crystal structure types in the Ln{sub 2}TiO{sub 5} series (Ln = lanthanide), namely orthorhombic Pnma, hexagonal P6{sub 3}/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. This is the first systematic examination of the complete Ln{sub 2}TiO{sub 5} crystal system and the first reported examination of the hexagonal structure. A series of samples, based on the stoichiometry Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} (where x = 2, 1.4, 1, 0.6, and 0) have been irradiated using 1 MeV Kr{sup 2+} ions and characterised in-situ using a transmission electron microscope. Two quantities are used to define ion-irradiation tolerance: critical dose of amorphisation (D{sub c}), which is the irradiating ion dose required for a crystalline to amorphous transition, and the critical temperature (T{sub c}), above which the sample cannot be rendered amorphous by ion irradiation. The structure type plus elements of bonding are correlated to ion-irradiation tolerance. The cubic phases, Yb{sub 2}TiO{sub 5} and Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5}, were found to be the most radiation tolerant, with T{sub c} values of 479 and 697 K respectively. The improved radiation tolerance with a change in symmetry to cubic is consistent with previous studies of similar compounds.

Synthesis and Characterization of Nanostructure Tio2/Anthraquenone (AQ Prepared by Sol-Gel Method

Directory of Open Access Journals (Sweden)

Fadhela M. Hussein

2017-11-01

Full Text Available sol–gel technique conducted to synthesize nano titanium dioxide with anthraquenone (AQ relatively in acidic pH. Nanoparticles were characterized using techniques like, Scanning Electrion Microscope (SEM, Atomic Force Microscope (AFM, UV-Visible Spectrioscopy, X-ray diffraction (XRD, Fourier transform infrared (FT-IR, SEM picture display that the TiO2/AQ is spherical in style, the band gap of TiO2/AQ nanoparticle is (3.05eV, BET and BJH analysis provides Pore volume and specific Surface area and the kinetic studie Suggest that the reaction is pseudo first order and the rate of reaction was reduce with rising initial concentration for p-Nitrotolune.

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-04-07

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

High dilution calorimetric determination of the standard state thermodynamic differences between the properties of H+(aq) and Na+(aq) up to 598.15 K

International Nuclear Information System (INIS)

Djamali, Essmaiil; Cobble, James W.

2009-01-01

Standard state thermodynamic properties for fully ionized aqueous perrhenic acid at temperature in the range of (298.15 to 598.15) K and at p sat were determined by high dilution solution calorimetry (10 -4 m). A comparison of the standard state thermodynamic properties for fully ionized aqueous perrhenic acid, HReO 4 (aq), and sodium perrhenate, NaReO 4 (aq), establishes for the first time the quantitative values for the differences between H + (aq) and Na + (aq) from temperature of (298.15 to 598.15) K. Perrhenic acid is believed to be the first strong acid to be thermodynamically well characterized under standard state conditions to date from measurements down to 10 -4 m. The value of the Debye-Hueckel limiting slope for enthalpies of dilution at temperature of 596.30 K of 122 ± 6 kJ . mol -3/2 . kg 1/2 , obtained from the integral heats of solution measurement at various concentrations, is in good agreement with theoretical value in literature, 121 kJ . mol -3/2 . kg 1/2 . This agreement verifies that HReO 4 (aq) obeys the simple limiting law for strong electrolytes. Many thermodynamic properties of soluble sodium electrolytes can now be converted to the corresponding acid form.

Inhibitory effect of 12C6+ ion and X-ray on angiogenesis in HMEC-1

International Nuclear Information System (INIS)

Liu Yuanyuan; Zhang Hong; Liu Yang; Wu Zhenhua; Sun Chao; Li Hongyan

2013-01-01

The study aims to explore the effect of 12 C 6+ ion and X-ray on proliferation, migration, tube formation and MMPS of human microvascular endothelial cells (HMEC-1). Transwell migration experiment showed that the radiation could inhibit the migration of HMEC-1 in sub-lethal dose 24 h after irradiation. Furthermore, the inhibition ability of 12 C 6+ ion was stronger than that of X-ray. Matrigel experiment indicated that 12 C 6+ ion suppressed the tube formation of HMEC-1 spontaneously. However, the inhibitory effect of X-ray had no significance. Meanwhile, Gelatin Zymography showed the expression of MMP-2 was inhibited obviously by 12 C 6+ ion, while X-ray had little effect on the expression of MMP-2. In conclusion, 12 C 6+ ion is superior to X-ray in radiotherapy of tumor. (authors)

Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

Science.gov (United States)

Clegg, S L; Wexler, A S

2011-04-21

A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

Structural and magnetic properties of Sr{sub 2}Y{sub 1+x}Ir{sub 1-x}O{sub 6} materials

Energy Technology Data Exchange (ETDEWEB)

Aslan Cansever, Gizem; Geyer, Maximilian; Blum, Christian G.F.; Gass, Sebastian; Corredor, Laura T.; Maljuk, Andrey; Wolter, A.U.B. [Leibniz Institute for Solid State and Materials Research Dresden, IFW Dresden (Germany); Manna, Kaustuv [Max-Planck-Institute for Chemical Physics of Solids, Dresden (Germany); Hammerath, Franziska; Wurmehl, Sabine; Buechner, Bernd [Leibniz Institute for Solid State and Materials Research Dresden, IFW Dresden (Germany); Institute for Solid State Physics, TU Dresden (Germany)

2016-07-01

Ir-based materials have attracted a lot of attention because of the competition between the spin-orbit coupling, Coulomb interaction and crystal field. Sr{sub 2}YIrO{sub 6} double perovskites with Ir{sup +5} (5d{sup 4}) ions are generally considered to have a nonmagnetic ground state (J=0). However, Sr{sub 2}YIrO{sub 6} double perovskites have been reported to exhibit long-range magnetic order at low temperature and the distorted IrO{sub 6} octahedra were discussed to cause the magnetism in this compound [2]. In this study Sr{sub 2}Y{sub 1+x}Ir{sub 1-x}O{sub 6} materials were investigated in relation to structural and magnetic properties with varying Y and Ir concentrations. The samples were prepared by solid-state chemical reaction method. Magnetic susceptibility measurements were performed down to 0.4 K.

New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

International Nuclear Information System (INIS)

Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-01-01

Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

Study of the 6Li+16O light heavy-ion system around the Coulomb barrier

International Nuclear Information System (INIS)

Glasner, K.; Ricken, L.; Kuhlmann, E.

1986-01-01

Total cross sections of the light heavy-ion reactions 16 O( 6 Li,p) 21 Ne, i=0-10, have been measured for beam energies Esub(Li)=4.5-8.0 MeV in steps of 100 keV. Additional excitation functions of the inclusive reactions 16 O( 6 Li,xy), x=p, n and α, were taken for Esub(li)=4.1-12.5 MeV. The 6 Li+ 16 O reaction can be understood as a predominant compound-nucleus process as extensive Hauser-Feshbach calculations show. A comprehensive statistical analysis yields a coherence width GAMMA=130+-20 keV for Esub(x)( 22 Na)approx.=19 MeV. Statistically significant deviations from pure fluctuation phenomena are found in most excitation functions at Esub(x)( 22 Na)=17.9, 18.4, 19.2 and 20.2 MeV. Interpreting these structures with widths 400<=GAMMAsub(tot)<=800 keV as intermediate-width resonances in terms of rotational band, tentative spin assignments can be given. (orig.)

Crystal structure and lithium ion conductivity of A-site deficient perovskites La1/3-xLi3xTaO3

International Nuclear Information System (INIS)

Mizumoto, Katsuyoshi; Hayashi, Shinsuke

1997-01-01

The crystal structure and lithium ion conductivity of La 1/3-x Li 3x TaO 3 solid solutions with the A-site deficient perovskite structure have been studied. Single phase solid solutions were obtained in the range of x=0 to 1/6. Change from tetragonal to cubic structure and decrease in the lattice volume were observed with increasing the x value. The maximum conductivity obtained was 7 x 10 -3 S·m -1 at x=0.06. The composition-dependence on the carrier concentration was calculated and compared with conductivity data. (author)

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)

Preparation, optical, and photocatalytic studies of defect pyrochlores: KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Ravi, G.; Veldurthi, Naveen Kumar [Osmania University, Department of Chemistry (India); Prasad, Muvva D. [University of Hyderabad, School of Chemistry (India); Muniratnam, N. R. [Centre for Materials Electronics Technology (C-MET) (India); Prasad, G. [Osmania University, Department of Physics (India); Vithal, M., E-mail: mugavithal@gmail.com [Osmania University, Department of Chemistry (India)

2013-09-15

Nano sized defect pyrochlores of compositions KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O (A = Sn, Ag, Bi, Sm, Eu, and Gd) have been synthesized by sol-gel and ion exchange methods, respectively. These oxides were characterized by thermogravimetric analysis, powder X-ray diffraction, energy dispersive spectra, transmission electron microscopy, UV-Vis diffuse reflectance spectra, Raman spectra, and Fourier transform infrared spectra. Spontaneous exchange of K{sup +} with A ion is accompanied by insertion of water also into the lattice. KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O crystallize in cubic lattice and isomorphous with KSbWO{sub 6}. The optical properties of Cr{sup 3+} were investigated. Substitution of K{sup +} by A ion leads to a shift of absorption onset to longer wavelengths marginally. The Raman spectra of all the samples are characteristic of defect pyrochlore system. The photocatalytic degradation of methylene blue aqueous solution was investigated using these oxides. The results obtained were fitted with the Langmuir-Hinshelwood model to study the degradation kinetics. Both Sn{sup 2+} and Bi{sup 3+}-doped KCr{sub 0.33}W{sub 1.67}O{sub 6} exhibit higher photoactivity in the degradation of methylene blue. The structure/composition of the photocatalyst remains the same even after fourth cycle of photodegradation.

Reactions of small negative ions with O2(a 1[Delta]g) and O2(X 3[Sigma]g-)

Science.gov (United States)

Midey, Anthony; Dotan, Itzhak; Seeley, J. V.; Viggiano, A. A.

2009-02-01

The rate constants and product ion branching ratios were measured for the reactions of various small negative ions with O2(X 3[Sigma]g-) and O2(a 1[Delta]g) in a selected ion flow tube (SIFT). Only NH2- and CH3O- were found to react with O2(X) and both reactions were slow. CH3O- reacted by hydride transfer, both with and without electron detachment. NH2- formed both OH-, as observed previously, and O2-, the latter via endothermic charge transfer. A temperature study revealed a negative temperature dependence for the former channel and Arrhenius behavior for the endothermic channel, resulting in an overall rate constant with a minimum at 500 K. SF6-, SF4-, SO3- and CO3- were found to react with O2(a 1[Delta]g) with rate constants less than 10-11 cm3 s-1. NH2- reacted rapidly with O2(a 1[Delta]g) by charge transfer. The reactions of HO2- and SO2- proceeded moderately with competition between Penning detachment and charge transfer. SO2- produced a SO4- cluster product in 2% of reactions and HO2- produced O3- in 13% of the reactions. CH3O- proceeded essentially at the collision rate by hydride transfer, again both with and without electron detachment. These results show that charge transfer to O2(a 1[Delta]g) occurs readily if the there are no restrictions on the ion beyond the reaction thermodynamics. The SO2- and HO2- reactions with O2(a) are the only known reactions involving Penning detachment besides the reaction with O2- studied previously [R.S. Berry, Phys. Chem. Chem. Phys., 7 (2005) 289-290].

Using a classic paper by Robin Fahraeus and Torsten Lindqvist to teach basic hemorheology

DEFF Research Database (Denmark)

Toksvang, Linea Natalie; Berg, Ronan M G

2013-01-01

"The viscosity of the blood in narrow capillary tubes" by Robin Fåhraeus and Torsten Lindqvist (Am J Physiol 96: 562-568, 1931) can be a valuable opportunity for teaching basic hemorheological principles in undergraduate cardiovascular physiology. This classic paper demonstrates that a progressive...

Geometric distribution of CuO chains in YBa2Cu3O6+x

International Nuclear Information System (INIS)

Matic, V.M.; Lazarov, N.Dj.

2006-01-01

Statistics of CuO chains in basal planes of YBa 2 Cu 3 O 6+x high-T c superconductor has been studied in terms of two dimensional asymmetric next-to-nearest-neighbor Ising (ASYNNNI) model, with accentuation on distribution of CuO chains per different chain lengths. It has been shown that the fraction p(l) of CuO chains containing l oxygen ions (i.e., having the length equal to l), satisfies so-called ''law of geometric distribution''p(l)=ω(1-ω) l-1 , where the quantity ω is equal to the inverse of average chain length l av in the system, for given values of oxygen content x and temperature T. In the case of ortho-II (OII) structural phase, the geometric chain probability distribution is shown to hold separately for each of two different sublattices of oxygen sites, commonly known as α 1 and α 2 , with respectively defined l av α 1 (x,T) and l av α 2 (x,T). The theoretically derived result of the chain probability distribution p(l) is shown to be in a remarkable agreement with the results obtained out of extensive Monte Carlo calculations that were made within region of stability of orthorhombic structural phases in (x,T) space. The relevance of chain length distribution for accurate count of the number of transferred electronic holes to superconducting CuO 2 layers has been pointed out and expression for hole concentration has been derived. The concept of critical chain length for charge transfer mechanism was briefly discussed

Crystal structure and thermal behaviour of boro-pollucite CsBSi2O6

International Nuclear Information System (INIS)

Bubnova, R.S.; Stepanov, N.K.; Filatov, S.K.; Levin, A.A.; Paufler, P.; Meyer, D.C.

2004-01-01

The crystal structure of Cs 0.82 B 1.09 Si 1.98 O 6 boro-pollucite at room temperature was determined by direct methods and refined in the l a 3-bar d space group using an anisotropic approximation of atomic thermal displacements (a = 13.009 (1) angstrom, Z = 16, R w = 0.027, R F = 0.037 for 141 independent observed (IFI ≥4σ F ) reflections). The occupancy factors have been refined for Cs and tetrahedral positions assuming the oxygen sites being fully occupied. The compound is isostructural to leucite pollucite high-temperature modification. Thermal behaviour of CsBSi 2 O 6 was investigated by DTA and TG, annealing at different temperatures with following wet chemical analysis and high-temperature X-ray powder diffraction methods. The CsBSi 2 O 6 cubic phase loses mass before melting and decomposes to form a new crystalline phase with close to CsBSi 3 O 8 stoichiometry in the temperature range of 1303 353 K. Thermal expansion of two boro-pollucite samples, which differed in the number of Cs + and/or B 3+ ions of a nominal composition CsBSi 2 O 6 was investigated in air as well as in vacuum. Temperature ranges of negative thermal expansion were found. (authors)

Phonon dispersion relations in PrBa2Cu3O6+x (x≅0.2)

International Nuclear Information System (INIS)

Gardiner, C.H.; Boothroyd, A.T.; Larsen, B.H.; Reichardt, W.; Zhokhov, A.A.; Andersen, N.H.; Lister, S.J.S.; Wildes, A.R.

2004-01-01

We report measurements of the phonon dispersion relations in nonsuperconducting, oxygen-deficient PrBa 2 Cu 3 O 6+x (x≅0.2) by inelastic neutron scattering. The data are compared with a model of the lattice dynamics based on a common interatomic potential. Good agreement is achieved for all but two phonon branches, which are significantly softer than predicted. These modes are found to arise predominantly from motion of the oxygen ions in the CuO 2 planes. Analogous modes in YBa 2 Cu 3 O 6 are well described by the common interatomic potential model

Electrochemical properties and lithium ion diffusion in Li4FeSbO6 studied by first principle

Science.gov (United States)

Jia, Mingzhen; Wang, Hongyan; Wang, Hui; Chen, Yuanzheng; Guo, Chunsheng; Gan, Liyong

2017-10-01

Due to the high capacity, Li-rich materials Li2MO3 (M = transition metal) have attracted considerable attention as the next generation of Li-ion batteries. Li4FeSbO6 is a new Li-rich layered oxide material with antiferromagnet honeycomb structure. In this work, the electrochemical behavior, charging process and oxygen stability of LixFeSbO6 (0 ≤ xextracted, the charge compensation is mainly contributed by the oxygen atoms through analyzing the Bader charges of each element. In addition, oxygen evolution reactions will occur in LixFeSbO6 (x ≤ 1.5), which will decay the capacities during cycling process. Finally, we calculated that the lithium ion can diffuse in a three-dimensional pathway with the activation barriers from 0.36 eV to 0.67 eV.

Voyager observations of O(+6) and other minor ions in the solar wind

Science.gov (United States)

Villanueva, Louis; Mcnutt, Ralph L., Jr.; Lazarus, Alan J.; Steinberg, John T.

1994-01-01

The plasma science (PLS) experiments on the Voyager 1 and 2 spacecraft began making measurements of the solar wind shortly after the two launches in the fall of 1977. In reviewing the data obtained prior to the Jupiter encounters in 1979, we have found that the large dynamic range of the PLS instrument generally allows a clean separation of signatures of minor ions (about 2.5% of the time) during a single instrument scan in energy per charge. The minor ions, most notably O(+6), are well separated from the protons and alpha particles during times when the solar wind Mach number (ratio of streaming speed to thermal speed) is greater than approximately 15. During the Earth to Jupiter cruise we find that the average ratio of alpha particle number density to that of oxygen is 66 +/- 7 (Voyager 1) and 71 +/- 17 (Voyager 2). These values are consistent with the value 75 +/- 20 inferred from the Ion Composition Instrument on ISEE 3 during the period spanning 1978 and 1982. We have inferred an average coronal temperature of (1.7 +/- 0.1) x 10(exp 6) K based on the ratio of O(+7) to O(+6) number densities. Our observations cover a period of increasing solar activity. During this time we have found that the alpha particle to proton number density ratio is increasing with the solar cycle, the oxygen to proton ratio increases, and the alpha particle to oxygen ratio remains relatively constant in time.

Foamlike porous spinel Mn(x)Co(3-x)O4 material derived from Mn3[Co(CN)6]2⋅nH2O nanocubes: a highly efficient anode material for lithium batteries.

Science.gov (United States)

Hu, Lin; Zhang, Ping; Zhong, Hao; Zheng, Xinrui; Yan, Nan; Chen, Qianwang

2012-11-19

A new facile strategy has been designed to fabricate spinel Mn(x)Co(3-x)O(4) porous nanocubes, which involves a morphology-conserved and pyrolysis-induced transformation of Prussian Blue Analogue Mn(3)[Co(CN)(6)](2)⋅nH(2)O perfect nanocubes. Owing to the release of CO(2) and N(x)O(y) in the process of interdiffusion, this strategy can overcome to a large extent the disadvantage of the traditional ceramic route for synthesis of spinels, and Mn(x)Co(3-x)O(4) with foamlike porous nanostructure is effectively obtained. Importantly, when evaluated as an electrode material for lithium-ion batteries, the foamlike Mn(x)Co(3-x)O(4) porous nanocubes display high specific discharge capacity and excellent rate capability. The improved electrochemical performance is attributed to the beneficial features of the particular foamlike porous nanostructure and large surface area, which reduce the diffusion length for Li(+) ions and enhance the structural integrity with sufficient void space for buffering the volume variation during the Li(+) insertion/extraction. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

SiO{sub 2} effect on spectral and colorimetric properties of europium doped SrO{sub 2}-MgO-xSiO{sub 2} (0.8 {<=} x {<=} 1.6) phosphor for white LEDs

Energy Technology Data Exchange (ETDEWEB)

Chen, B J; Jang, K W; Lee, H S; Jayasimhadri, M; Cho, E J [Department of Physics, Changwon National University, Changwon, 641-773 (Korea, Republic of); Yi, S S [Department of Photonics, Silla University, Pusan 617-736 (Korea, Republic of); Jeong, J H [Department of Physics, Pukyong National University, Pusan 608-737 (Korea, Republic of)], E-mail: kwjang@changwon.ac.kr

2009-05-21

Silicate phosphors with compositions 1.99 SrO{sub 2}-1.0 MgO-xSiO{sub 2}-0.01 Eu{sub 2}O{sub 3} (x = 0.8, 1.0, 1.2, 1.4 and 1.6) were prepared in a reducing atmosphere via a solid state reaction. The resultant phosphors were examined by using x-ray diffraction and confirmed to be a mixture of monoclinic Sr{sub 2}SiO{sub 4} and orthorhombic Mg{sub 2}(Si{sub 2}O{sub 4}). The scanning electron microscope images revealed that SiO{sub 2} content does not influence the morphology of the resultant phosphors. It was also observed that the excitation spectra are dependent on the monitored emission wavelength, and the emission spectra are dependent on the excitation wavelength and the SiO{sub 2} content. The energy transfer between Eu{sup 2+} ions occupying different Sr{sup 2+} sites was discussed. The colour coordinates for these phosphors are tunable based on both the excitation wavelength and the SiO{sub 2} content.

Studies on structural and magnetic properties of ternary cobalt magnesium zinc (CMZ) Co{sub 0.6-x}Mg{sub x}Zn{sub 0.4} Fe{sub 2}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6) ferrite nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Kaur, Manpreet, E-mail: manpreetchem@pau.edu; Jain, Palak; Singh, Mandeep

2015-07-15

In this paper we report the variation in structural and magnetic properties of ternary ferrite nanoparticles (NPs) having stoichiometery Co{sub 0.6-x}Mg{sub x}Zn{sub 0.4} Fe{sub 2}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6) and pure spinel ferrites MFe{sub 2}O{sub 4} (M = Mg, Co). NPs with average particle diameter of 25–45 nm were synthesized employing self-propagating oxalyl dihydrazide - metal nitrate combustion method. The products were characterized using X-ray diffraction (XRD), Vibrating sample magnetometer (VSM), Transmission electron microscopy (TEM) and FT-IR spectroscopy. FT-IR spectral analysis revealed two bands centered at 560 and 440 cm{sup −1} for tetrahedral and octahedral metal–oxygen bond stretching. Zinc doping caused red shift in the frequency band of tetrahedral M−O stretching. XRD powder diffraction patterns confirmed the formation of spinel ferrite nanoparticles, expansion of the lattice on zinc doping and enhancement of spinel phase purity in the doped ferrites. Cobalt ferrite displayed lowering of the magnetic parameters on zinc doping which further decreased in ternary ferrites Co{sub 0.6-x}Mg{sub x}Zn{sub 0.4}Fe{sub 2}O{sub 4} on replacing cobalt ions with non-magnetic magnesium ions up to x = 0.4. At x = 0.6 reverse trend was observed and Ms was enhanced. Magnesium zinc ferrite Mg{sub 0.6}Zn{sub 0.4} Fe{sub 2}O{sub 4} with high value of Ms was obtained. Combustion process employed in the present studies serves as a low temperature facile route for the synthesis and structural analysis of ternary doped ferrite nanoparticles. - Highlights: • Ternary doped cobalt magnesium zinc ferrite nanoparticles are synthesized. • FT-IR displayed red shift in tetrahedral stretching band on Zinc doping. • Expansion of lattice and enhancement of spinel phase purity on zinc doping. • The variation in saturation magnetization (Ms) on doping is explained.

Ion-Exchange Reaction Of A-Site In A2Ta2O6 Pyrochlore Crystal Structure

Directory of Open Access Journals (Sweden)

Matsunami M.

2015-06-01

Full Text Available Na+ or K+ ion rechargeable battery is started to garner attention recently in Place of Li+ ion cell. It is important that A+ site ion can move in and out the positive-electrode materials. When K2Ta2O6 powder had a pyrochlore structure was only dipped into NaOH aqueous solution at room temperature, Na2Ta2O6 was obtained. K2Ta2O6 was fabricated from a tantalum sheet by a hydrothermal synthesize with KOH aqueous solution. When Na2Ta2O6 was dipped into KOH aqueous solution, K2Ta2O6 was obtained again. If KTaO3 had a perovskite structure was dipped, Ion-exchange was not observed by XRD. Because a lattice constant of pyrochlore structure of K-Ta-O system is bigger than perovskite, K+ or Na+ ion could shinny through and exchange between Ta5+ and O2− ion site in a pyrochlore structure. K+ or Na+ ion exchange of A2Ta2O6 pyrochlore had reversibility. Therefore, A2Ta2O6 had a pyrochlore structure can be expected such as Na+ ion rechargeable battery element.

EPR spectroscopic investigations in 15BaO-25Li2O-(60-x) B2O3-xFe2O3 glass system

Science.gov (United States)

Bhogi, Ashok; Kumar, R. Vijaya; Kistaiah, P.

2018-05-01

Glasses with composition 15BaO-25Li2O-(60-x) B2O3 -xFe2O3 (x = 0, 0.2, 0.4, 0.6, 0.8 and 1 mol %) were prepared by the conventional melt quenching technique. These glasses were characterized using X-ray diffraction (XRD). Electron paramagnetic resonance (EPR) investigations have been carried out as a function of iron ion concentration. The observed EPR spectra of Fe3+ ion exhibits resonance signals at g= 2.0, 4.3 and 8.0. The resonance signal at g= 4.3 is due to isolated Fe3+ ions in site with rhombic symmetry where as the g= 2.0 resonance signal is attributed to the Fe3+ ions coupled by exchange interaction in a distorted octahedral environment and the signal at g= 8.0 arises from axially distorted sites. The number of spins participating in resonance (N) and its paramagnetic susceptibilities (χ) have also been evaluated. The peak-to-peak line width ΔB for the resonance lines at g ≈ 4.3 and at g ≈ 2.0 is increasing as function of the iron ion content. The line intensity of the resonance centered at g ≈ 4.3 and at g ≈ 2.0 increases up to 0.8 mol% of Fe2O3 and for 1 mol% of Fe2O3 its value is found to decrease. The analysis of these results indicated that the conversion some of Fe3+ cations to Fe2+ ions beyond 0.8 mol%.

Isopiestic determination of the osmotic coefficients and Pitzer model representation for Li{sub 2}B{sub 4}O{sub 7}(aq) at T=298.15 K

Energy Technology Data Exchange (ETDEWEB)

Zhang Aiyun [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China); Hei Long Jiang Science and Technology College, Ha' erbin (China); Yao Yan [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China)]. E-mail: yanyao@pub.xaonline.com; Li Lijuan [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China); Song Pengsheng [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China)

2005-02-01

Isopiestic molalities and water activities have been measured for aqueous Li{sub 2}B{sub 4}O{sub 7} solutions from (0.0275 to 2.9397) mol.kg{sup -1} at T=298.15 K by isopiestic method, using an improved apparatus. These measurements have extended into the very dilute and the supersaturated molality region. Two types of osmotic coefficients of {phi}{sub S} and {phi}{sub E} were determined. {phi}{sub S} is based on the stoichiometric molalities of the solute Li{sub 2}B{sub 4}O{sub 7}(aq), and {phi}{sub E} is based on equilibrium molalities based on consideration of the equilibrium speciation of H3BO3,B(OH)4-,B3O3(OH)4-,andB4O5(OH)42- in the Li{sub 2}B{sub 4}O{sub 7}(aq) solutions. The stoichiometric equilibrium constants K{sub mi} for the aqueous speciation reactions were estimated. Three types of representations of the osmotic coefficients for the (Li{sub 2}B{sub 4}O{sub 7}+H{sub 2}O) system with the ion-interaction models based on Pitzer's equations of osmotic coefficients with minor modifications were presented: the model (I) for representation of the data of {phi}{sub S} with four parameters based on considering the ion-interactions between two ionic species of Li+andB4O72-, the model (II) for representation of the data of {phi}{sub E} based on considering the equilibrium speciation with 18 parameters, and the model (III) simplified from model (II) with six ion-interaction parameters estimated. The reasonable agreements between the experimental osmotic coefficient data and those calculated using the models above were obtained with the standard deviations of 0.0215, 0.0055, and 0.0150 for the three models, respectively. The thermodynamic osmotic coefficient properties for the complex system containing polymetric boron anions and lithium may be explained by use of the Pitzer ion-interaction model with minor modifications in combination with speciation reaction equilibria.

Synthesis and crystal structure of Bi6.4Pb0.6P2O15.2

International Nuclear Information System (INIS)

Arumugam, N.; Lynch, V.; Steinfink, H.

2007-01-01

Bi 6.4 Pb 0.6 P 2 O 15.2 is a polymorph of structures with the general stoichiometry Bi 6+x M 1-x P 2 O 15+y . However, unlike previously published structures that consist of layers formed by edge sharing OBi 4 tetrahedra bridged by PO 4 and TO 6 (T=transition metal) tetrahedra and octahedra the title compound's structure is more complex. It is monoclinic, C2, a=19.4698(4) A, b=11.3692(3) A, c=16.3809(5) A, β=101.167(1) o , Z=10. Single-crystal X-ray diffraction data were refined by least squares on F 2 converging to R 1 =0.0387, wR 2 =0.0836 for 7023 intensities. The crystal twins by mirror reflection across (001) as the twin plane and twin component 1 equals 0.74(1). Oxygen ions are in tetrahedral coordination to four metal ions and the O(BiPb) 4 units share corners to form layers that are part of the three-dimensional framework. Eight oxygen ions form a cube around the two crystallographically independent Pb ions. Pb-O bond lengths vary from 2.265(14) to 2.869(14) A. Pairs of such cubes share an edge to form a Pb 3 O 20 unit. The two oxygen ions from the unshared edges are part of irregular Bi polyhedra. Other oxygen ions of Bi polyhedra are part only of O(BiPb) 4 units, and some oxygen ions of the polyhedra are also part of PO 4 tetrahedra. One, two, three and or four PO 4 moieties are connected to the Bi polyhedra. Bi-O bond lengths ≤3.1 A vary from 2.090(12) to 3.07(3) A. The articulations of Pb cubes, Bi polyhedra and PO 4 tetrahedra link into the three-dimensional structure. - Graphical abstract: View of the structure of Bi 6.4 Pb 0.6 P 2 O 15.2 parallel to the b-axis

Stability and diffusion of Hg implanted YBa2Cu3O6+x

International Nuclear Information System (INIS)

Araujo, J.P.; Correia, J.G.; Wahl, U.; Marques, J.G.; Alves, E.; Amaral, V.S.; Lourenco, A.A.; Galindo, V.; Papen, T. von; Senateur, J.P.; Weiss, F.; Vantomme, A.; Langouche, G.; Melo, A.A.; Silva, M.F. da; Soares, J.C.; Sousa, J.B.

1999-01-01

The radioactive isotope 197m Hg was implanted at 60 keV with low fluences (10 13 ions/cm 2 ) into YBa 2 Cu 3 O 6+x (YBCO) superconducting thin films at ISOLDE/CERN. We report on the Hg dynamics and stability inside the YBCO lattice as a function of annealing temperature up to 890 K in a vacuum or O 2 atmosphere. The perturbed angular correlation (PAC) technique was used for probing the Hg behavior at the atomic scale, while by monitoring the sample's activity in situ the Hg outdiffusion was studied. We found that Hg ions occupy unique lattice sites and that Hg should be bound to two apical oxygens. Hg diffusion occurs only for annealing temperatures above 653 K, in vacuum. The Hg migration energy was estimated to be E M =1.58±0.15 eV

Isopiestic investigation of the osmotic coefficients of MgBr{sub 2}(aq) and study of bromide salts solubility in the (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) system at T = 323.15 K. Thermodynamic model of solution behaviour and (solid + liquid) equilibria in the MgBr{sub 2}(aq), and (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) systems to high concentration and temperature

Energy Technology Data Exchange (ETDEWEB)

Christov, Christomir, E-mail: christov@svr.igic.bas.b [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, ul. ' Acad. G. Bonchev' , bl. 11, 1113 Sofia (Bulgaria)

2011-03-15

The isopiestic method has been used to determine the osmotic coefficients of the binary solutions MgBr{sub 2}(aq) (from 0.4950 to 2.5197 mol {center_dot} kg{sup -1}) at the temperature T = 323.15 K. Sodium chloride solutions have been used as isopiestic reference standards. The solubility of the bromide minerals in the mixed system (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) has been investigated at T = 323.15 K by the physico-chemical analysis method. In addition to simple salts {l_brace}KBr(cr) and MgBr{sub 2} . 6H{sub 2}O(cr){r_brace}, equilibrium crystallization of the highly incongruent double salt with stoichiometric composition 1:1:6 {l_brace}bromcarnallite: KBr . MgBr{sub 2} . 6H{sub 2}O(cr){r_brace} was also established. The results obtained from the isopiestic and solubility measurements have been combined with all other experimental thermodynamic quantities available in the literature (osmotic coefficients, and solubility of the bromide mineral) to construct a chemical model that calculates solute and solvent activities and (solid + liquid) equilibria in the MgBr{sub 2}(aq) binary, and (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) mixed systems from dilute to high solution concentration within the (273.15 to 438.15) K temperature range. The solubility modelling approach based on fundamental Pitzer specific interaction equations is employed. It was found, that the standard for 2-1 type of electrolytes approach with three ({beta}{sup (0)}, {beta}{sup (1)}, and C{sup {phi}}) single electrolyte ion interaction parameters gives excellent agreement with osmotic coefficients from T = (298.15 to 373.45) K; up to saturation at 298.15 K, and up to m(MgBr{sub 2}) = 5.83 mol {center_dot} kg{sup -1} at 373.45 K, and with MgBr{sub 2} {center_dot} 6H{sub 2}O(cr) equilibrium pure water solubility data within the (273.15 to 438.15) K temperature range and up to {approx}8.5 mol {center_dot} kg{sup -1} used in parameterization. The model for the ternary system gives very good

Gyromagnetic ratios of excited states in 198Pt; measurements and interacting boson approximation model calculations

Science.gov (United States)

Stuchbery, A. E.; Ryan, C. G.; Bolotin, H. H.; Morrison, I.; Sie, S. H.

1981-07-01

The enhanced transient hyperfine field manifest at the nuclei of swiftly recoiling ions traversing magnetized ferromagnetic materials was utilized to measure the gyromagnetic ratios of the 2 +1, 2 +2 and 4 +1 states in 198Pt by the thin-foil technique. The states of interest were populated by Coulomb excitation using a beam of 220 MeV 58Ni ions. The results obtained were: g(2 +1) = 0.324 ± 0.026; g(2 +2) = 0.34 ± 0.06; g(4 +1) = 0.34 ± 0.06. In addition, these measurements served to discriminate between the otherwise essentially equally probable values previously reported for the E2/M1 ratio of the 2 +2 → 2 +1 transition in 198Pt. We also performed interacting boson approximation (IBA) model-based calculations in the O(6) limit symmetry, with and without inclusion of a small degree of symmetry breaking, and employed the M1 operator in both first- and second-order to obtain M1 selection rules and to calculate gyromagnetic ratios of levels. When O(6) symmetry is broken, there is a predicted departure from constancy of the g-factors which provides a good test of the nuclear wave function. Evaluative comparisons are made between these experimental and predicted g-factors.

Ion irradiation induced order-to-disorder transformations in δ-phase Sc4-xZr3+xO12+x/2

International Nuclear Information System (INIS)

Zhang, J.; Wang, Y.Q.; Tang, M.; Valdez, J.A.; Sickafus, K.E.

2010-01-01

The purpose of this study is to investigate the role of stoichiometry on crystal structure transformations in derivative fluorite compounds known as delta (δ) phase. In this study, polycrystalline δ-phase ceramic pellets were prepared with stoichiometries given by Sc 4-x Zr 3+x O 12+x/2 (x = 0, 0.77 and 1.20) . The pressed and polished pellets were then irradiated under cryogenic conditions with 200 keV Ne + ions to fluences ranging from 1-5 x 10 14 Ne/cm 2 . An order-to-disorder (O-D) transformation was observed for all compositions, as determined using grazing incidence X-ray diffraction (GIXRD). However, the transformation threshold dose was found to systematically decrease with increasing ZrO 2 content: ∼0.2, ∼0.16, and ∼0.08 dpa for Sc 4-x Zr 3+x O 12+x/2 with x = 0, 0.77, and 1.20, respectively. These irradiation-induced phase transformation results are discussed in terms of the crystal structure of the δ-phase.

Structure of Ga2O3(ZnO)6: a member of the homologous series Ga2O3(ZnO)m

International Nuclear Information System (INIS)

Michiue, Yuichi; Kanke, Yasushi; Kimizuka, Noboru

2008-01-01

The structure of Ga 2 O 3 (ZnO) 6 was determined using singlecrystal X-ray diffraction techniques in the space group Cmcm. The metal ion sublattice resembles some of the Zn ions in the wurtzite ZnO structure. The oxygen ion sublattice in Ga 2 O 3 (ZnO) 6 also resembles some of the O ions in ZnO. Structural relationships between Ga 2 O 3 (ZnO) 6 and ZnO are discussed, illustrating the process for obtaining the centrosymmetric Ga 2 O 3 (ZnO) 6 structure from the noncentrosymmetric ZnO. Structures of phases in the homologous series Ga 2 O 3 (ZnO) m are predicted on the basis of the structural data for Ga 2 O 3 (ZnO) 6 . The structures of even m are constructed by simply extending the structure units seen in Ga 2 O 3 (ZnO) 6 , while those of odd m consist of structure units which are of different types from those used for even m. (orig.)

Effect of Sr-doping on electronic and magnetic properties of La2-xSrxCoMnO6

Science.gov (United States)

Khan, Anasua; Chatterjee, Swastika; Mandal, P. R.; Nath, T. K.

2018-04-01

In this report, La2-xSrxCoMnO6 (x=0, 1) have been synthesised using sol-gel technique. La2CoMnO6 (LCMO) takes a monoclinic phase, whereas LaSrCoMnO6 (LSCMO) appears in a mixed phase of having both monoclinic and rhombohedral symmetries. DC magnetization measurement shows that LCMO is Ferromagnetic in nature whereas LSCMO shows magnetic glassy nature. This experimental result is verified by ab-initio calculation using GGA+SO+U as implemented in WIEN2k code. Total energy calculations suggest that antisite disorder is enhanced with Sr doping at La site and LSCMO is predominantly ferromagnetic in nature. Co ions which appeared in high spin +2 charge state, converts to intermediate spin +3 charge state with Sr doping.

Ion and electron swarm studies of relevance to plasma processing: positive ion-molecule and electron-molecule studies of SF6 and derivatives

International Nuclear Information System (INIS)

Atterbury, C.; Kennedy, R.A.; Critchley, A.D.J.; Mayhew, C.A.

2002-01-01

Many sequential and parallel chemical reactions involving charged species occur in a plasma. Data needed to model plasma's chemical and physical environment includes cross-section, rate coefficients, and product ion distribution of electron-molecule and ion-molecule processes. Such reactions are studied by our group away from the complexity of the plasma environment, with experimental techniques that allow us to concentrate on a single process, where usually only one or two species are involved. A molecule commonly used in plasma etching applications is SF 6 1,2 . We have performed a series of positive ion-molecule and electron attachment studies on SF 6 and related molecules, including SeF 6 , TeF 6 (i.e. XF 6 molecules), SF 5 CF 3 and SF 5 Cl (i.e. SF 5 X molecules) 3- (. The studies of ion reactions with and electron attachment to SF 6 and physically similar molecules are of value when seeking to understand the ion and electron chemistry occurring in SF 6 containing plasma. The result of these studies are presented in this poster. Ion-molecule reactions. Rate coefficients and ion product branching ratios have been determined with the Selected Ion Flow Tube (SIFT) at room temperature (300 K) for reactions of SF 5 X with the following twenty-two cations; Ne + , F + , Ar + , N 2 + , N + , CO + , CO 2 + , O + , N 2 O + , O 2 + , SF 4 + , CF 2 + , SF + , SF 2 + , NO 2 + , SF 5 + , NO + , CF + , CF 3 + , SF 3 + , and H 3 O + (listed in order of decreasing recombination energy). SF 2 + , NO 2 + , NO + , SF 3 + , and H 3 O + are found to be unreacted with both SF 5 CF 3 and SF 5 Cl. The majority of the other reactions proceed with rate coefficients that are close to the capture value. Those found to occur at rates significantly less than the capture mechanism value re the reactions of O 2 + , SF + , SF 5 + , and CF 3 + with SF 5 CF 3 , and SF 4 + and SF 5 + with SF 5 Cl. Several distinction processes are observed among the large number of reactions studied, including

Novel protonated and hydrated n=1 Ruddlesden-Popper phases, HxNa1-xLaTiO4.yH2O, formed by ion-exchange/intercalation reaction

International Nuclear Information System (INIS)

Nishimoto, Shunsuke; Matsuda, Motohide; Miyake, Michihiro

2005-01-01

New derivatives of layered perovskite compounds with H 3 O + ions, H + ions and water molecules in the interlayer, H x Na 1-x LaTiO 4 .yH 2 O, were successfully synthesized by an ion-exchange/intercalation reaction with dilute HCl solution, using an n=1 member of Ruddlesden-Popper phase, NaLaTiO 4 . Powder X-ray diffraction revealed that the layered structure changed from space group P4/nmm with a=3.776(1) and c=13.028(5)A to I4/mmm with a=3.7533(3) and c=28.103(4)A after the ion-exchange/intercalation reaction at pH 5. The change of space group indicates that the perovskite layers are transformed from staggered to an eclipsed configuration through the ion-exchange/intercalation reaction. Thermogravimetric analysis and high-temperature powder X-ray diffraction suggested the existence of the secondary hydrated phase by dehydrating H x Na 1-x LaTiO 4 .yH 2 O at 100 o C

RKKY interaction between Ce ions in CexLa1-xB6

International Nuclear Information System (INIS)

Schlottmann, P.

2000-01-01

Ce ions in (Ce x La 1-x )B 6 have a Γ 8 ground multiplet, which is fourfold degenerate and has orbital and spin content. The interaction between Ce ions is of the Ruderman-Kittel-Kasuya-Yosida (RKKY) type, which competes with the Kondo screening. The conduction states of the compound are described by three approximately ellipsoidal pockets centered at the X points of the cubic lattice. The RKKY interaction is calculated considering the interference of the three pockets. The interaction strength strongly depends on the relative position of the ions, as well as on the relative orientation of the line joining two ions to the cubic crystalline field axis. The sixteen states of a pair of Ce ions are split by the RKKY interaction into a singlet, a triplet, and a twelvefold degenerate level. The ground state is always either a singlet or a triplet, depending on the sign of the interaction. Using the exact Bethe ansatz solution of a model for a pair of interacting impurities with Γ 8 ground multiplet, we calculate the occupation of the levels, the magnetic-field susceptibility, the specific-heat γ coefficient, and the Wilson ratio for the ground state as a function of the ratio of the RKKY coupling strength to the Kondo temperature along the main crystallographic directions. As a consequence of the RKKY splitting a pair of impurities always has a quadrupolar moment. The implication of the interactions on the quadrupolar order of CeB 6 is also discussed

Electron-deficient anthraquinone derivatives as cathodic material for lithium ion batteries

Science.gov (United States)

Takeda, Takashi; Taniki, Ryosuke; Masuda, Asuna; Honma, Itaru; Akutagawa, Tomoyuki

2016-10-01

We studied the electronic and structural properties of electron-deficient anthraquinone (AQ) derivatives, Me4N4AQ and TCNAQ, and investigated their charge-discharge properties in lithium ion batteries along with those of AQ. Cyclic voltammogram, X-ray structure analysis and theoretical calculations revealed that these three acceptors have different features, such as different electron-accepting properties with different reduction processes and lithium coordination abilities, and different packing arrangements with different intermolecular interactions. These differences greatly affect the charge-discharge properties of lithium ion batteries that use these compounds as cathode materials. Among these compounds, Me4N4AQ showed a high charge/discharge voltage (2.9-2.5 V) with high cyclability (>65% of the theoretical capacity after 30 cycles; no decrease after 15 cycles). These results provide insight into more in-depth design principles for lithium ion batteries using AQ derivatives as cathodic materials.

Ti2Nb10O29-x mesoporous microspheres as promising anode materials for high-performance lithium-ion batteries

Science.gov (United States)

Deng, Shengjue; Luo, Zhibin; Liu, Yating; Lou, Xiaoming; Lin, Chunfu; Yang, Chao; Zhao, Hua; Zheng, Peng; Sun, Zhongliang; Li, Jianbao; Wang, Ning; Wu, Hui

2017-09-01

Ti2Nb10O29 has recently been reported as a promising anode material for lithium-ion batteries. However, its poor electronic conductivity and insufficient Li+-ion diffusion coefficient significantly limit its rate capability. To tackle this issue, a strategy combining nanosizing and crystal-structure modification is employed. Ti2Nb10O29-x mesoporous microspheres with a sphere-size range of 0.5-4 μm are prepared by a one-step solvothermal method followed by thermal treatment in N2. These Ti2Nb10O29-x mesoporous microspheres exhibit primary nanoparticles, a large specific surface area (22.9 m2 g-1) and suitable pore sizes, leading to easy electron/Li+-ion transport and good interfacial reactivity. Ti2Nb10O29-x shows a defective shear ReO3 crystal structure with O2- vacancies and an increased unit cell volume, resulting in its increased Li+-ion diffusion coefficient. Besides Ti4+ and Nb5+ ions, Ti2Nb10O29-x comprises Nb4+ ions with unpaired 4d electrons, which significantly increase its electronic conductivity. As a result of these improvements, the Ti2Nb10O29-x mesoporous microspheres reveal superior electrochemical performances in term of large reversible specific capacity (309 mAh g-1 at 0.1 C), outstanding rate capability (235 mAh g-1 at 40 C) and durable cyclic stability (capacity retention of 92.1% over 100 cycles at 10 C).

Study of valence of cerium and praseodymium ions in Pr1-xCexO2 solid solutions

International Nuclear Information System (INIS)

Gartsman, K.G.; Kartenko, N.F.; Melekh, B.T.

1990-01-01

Effect of preparation conditions of Pr 1-x Ce x O 2 solid solutions on Ce and Pr ion valence within Pr 1-x Ce x O 2 system is studied. The data obtained enable to conclude that praseodymium may depending on annealing conditions change its state from Pr 3+ to Pr 4+ , while Ce 4+ is stable in Pr 1-x Ce x O 2 solid solutions

Formation of tin-tin oxide core–shell nanoparticles in the composite SnO{sub 2−x}/nitrogen-doped carbon nanotubes by pulsed ion beam irradiation

Energy Technology Data Exchange (ETDEWEB)

Korusenko, P.M., E-mail: korusenko@obisp.oscsbras.ru [Omsk Scientific Center, Siberian Branch of the Russian Academy of Sciences, Karl Marx avenue 15, 644040 Omsk (Russian Federation); Nesov, S.N.; Bolotov, V.V.; Povoroznyuk, S.N. [Omsk Scientific Center, Siberian Branch of the Russian Academy of Sciences, Karl Marx avenue 15, 644040 Omsk (Russian Federation); Pushkarev, A.I. [National Research Tomsk Polytechnic University, Lenin Ave. 2a, 634028 Tomsk (Russian Federation); Ivlev, K.E. [Omsk Scientific Center, Siberian Branch of the Russian Academy of Sciences, Karl Marx avenue 15, 644040 Omsk (Russian Federation); Smirnov, D.A. [St. Petersburg State University, Lieutenant Shmidt Emb. 11, 198504 St. Petersburg (Russian Federation); Institute of Solid State Physics, Dresden University of Technology, D-01069 Dresden (Germany)

2017-03-01

Highlights: • Original method the formation of core–shell structures by pulsed ion beam is proposed. • The composite SnO{sub 2−x}/N-MWCNTs was irradiated by pulsed ion beam. • Morphology and electronic structure of the irradiated composite were characterized. • The formation of Sn−SnO{sub x} core–shell nanoparticles after irradiation was observed. - Abstract: The complex methods of transmission electron microscopy, energy dispersive X-ray analysis, and X-ray photoelectron spectroscopy were used to investigate the changes in the morphology, phase composition, and electronic structure of the composite SnO{sub 2−x}/nitrogen-doped multiwalled carbon nanotubes (SnO{sub 2−x}/N-MWCNTs) irradiated with the pulsed ion beam of nanosecond duration. The irradiation of the composite SnO{sub 2−x}/N-MWCNTs leads to the formation of nanoparticles with the core–shell structure on the surface of CNTs with a sharp interfacial boundary. It has been established that the “core” is a metal tin (Sn{sup 0}) with a typical size of 5–35 nm, and the “shell” is a thin amorphous layer (2–6 nm) consisting of nonstoichiometric tin oxide with a low oxygen content. The “core–shell” structure Sn−SnO{sub x} is formed due to the process of heating and evaporation of SnO{sub 2−x} under the effect of the ion beam, followed by vapor deposition on the surface of carbon nanotubes.

An unprecedented process of peroxide ion formation and its localization in the crystal structure of strontium peroxy-hydroxyapatite Sr_1_0(PO_4)_6(O_2)_x(OH)_2_-_2_x

International Nuclear Information System (INIS)

Kazin, Pavel E.; Zykin, Mikhail A.; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Jansen, Martin; Tretyakov, Yury D.

2012-01-01

Formation of strontium peroxy-hydroxyapatite solid solution Sr_1_0(PO_4)_6(O_2)_x(OH)_2_-_2_x was studied on annealing the hydroxyapatite in the temperature range 900-1350 C in oxygen, air, and argon atmosphere. The redox process was found to display unprecedented features: (i) the peroxide content increased with raising temperature, (ii) the peroxide content remained substantial even at a low oxygen pressure of 1.013 Pa, (iii) the peroxide content was extremely persistent, and even at a temperature of 1350 C in oxygen atmosphere the peroxide groups substituted more than two-third of the original hydroxide groups. Chemical processes consistent with these features are suggested. In the UV/Vis spectrum, an absorption peak at 300 nm was recorded, which was attributed to an electronic transition in the peroxide ion, since its intensity depended linearly on the peroxide content. In the Raman spectra, a weak band at 765-770 cm"-"1 was ascribed to symmetric stretching vibrations of O_2"2"-. The structures of the compounds were refined from powder X-ray diffraction data using the Rietveld method supported by a maximum entropy method (MEM) electron density calculation. The peroxide ions are localized in the center of the hexagonal channel. At high concentration they tend to order with the associated vacancies along the channels. As a consequence, the width of the channel sections varies, the PO_4 tetrahedra tilt, and the remote strontium atoms are displaced leading to changes in their coordination. Generally, the peroxide for hydroxide substitution manifests itself in the reduction of the overall channel diameter (and its volume), while the volume occupied by out-of-channel ions remains the same. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Study of Moessbauer effect on LiFe5-x Alx O8, LiFe 5-x Gax O8 and LiGa5-x Fex O8 systems

International Nuclear Information System (INIS)

Barthem, V.M.T.S.

1982-01-01

The measures obtained by Moessbauer spectroscopy from LiFe 5-x Ga x O 8 and LiFe 5-x Al x O 8 systems are presented. A comparative study of the influences of dopant diamagnetic ions on magnetic structures of lithium ferrite was performed. The LiGa 5-x Fe x O 8 systems were analysed based on the existing data from LiAl 5-x Fe x O 8 systems, otaining informations about the iron ion behaviour in both matrices. (M.C.K.) [pt

Electrical Conductivity of Cancrinite-Type Na8 - 2 x Ca x [Al6Si6O24][CO3] · 2H2O ( x ≤ 0.03) Crystals

Science.gov (United States)

Sorokin, N. I.

2018-05-01

The electrical conductivity of crystals of artificial cancrinite Na8 - 2 x Ca x [Al6Si6O24][CO3] · 2H2O ( x ≤ 0.03) has been studied in the temperature range of 498-604 K. These crystals were grown by hydrothermal synthesis on a seed in the Na2O-Al2O3-SiO2-H2O system ( t = 380-420°C, P = 3 × 107-9 × 107 Pa). The ionic conductivity of a single-crystal sample (sp. gr. P63), measured along the crystallographic axis c, is low: σ = 8 × 10-7 S/cm at 300°C. The electric transport activation energy is E a = 0.81 ± 0.05 eV. The relationship between the ionic conductivity and specific features of the atomic structure of cancrinites is discussed.

Influence of relativistic effects on hydration and hydrolysis of rutherfordium, dubnium and some 6-th row element cations

International Nuclear Information System (INIS)

Bilewicz, A.; Siekierski, S.

1999-01-01

New evidence for the influence of relativistic effect on coordination number, (CN), and hydrolysis of Rf 4+ and Db 5+ aqua ions has been presented. It has been argued that very strong hydrolysis of the heaviest members of Groups 12, 13 is caused by the low CN of Hg 2+ and Tl 3+ in their aqua ions. Low CN is the result of relativistic effects which stabilize the 6s orbital, increasing thereby the respective promotion energy. That supports our previous view that strong hydrolysis of Rf aq 4+ much greater than that of Hf aq 4+ and Zr aq 4+ , is also a result of lower CN. Since the promotion energy for sp 3 d 4 hybridization (CN 8) seems to be close to that od sp 3 d 2 hybridization (CN 6), and since hybridization energies of Zr 4+ , Hf 4+ and Rf 4+ do not differ very much for hexa- and octahydrates the two aqua ions i.e., M(H 2 O) 6 4+ and M(H 2 O) 8 4+ may coexist in aqueous acid solutions. However, due to relativistic stabilization of 7s and destabilization of 6s orbitals, which increases promotion energy, the Rf 4+ aqua cation should show coordination number 6 rather than 8. A shift of equilibrium toward a lower hydrate increases the tendency to hydrolyse. (author)

Magnetoelastic coupling in Sr2(Fe1-xCrx)ReO6 double perovskites

International Nuclear Information System (INIS)

Serrate, D; Teresa, J M De; Algarabel, P A; Marquina, C; Blasco, J; Ibarra, M R; Galibert, J

2007-01-01

We have investigated magnetoelastic coupling in Sr 2 (Fe 1-x Cr x )ReO 6 polycrystalline double perovskites. The end compound, Sr 2 CrReO 6 , shows a high ferromagnetic transition temperature of 635 K and is thought to exhibit a nearly half-metallic conduction band. We probed the unexpected high orbital moment borne by the Re atom by means of volume and anisotropic magnetostriction measurements in magnetic fields up to 12 T. Our magnetostriction results can be explained by the existence of a large spin-orbit coupling which, in combination with crystal-field effects, produces a single-ion type magnetostrictive response. The Re orbital moment triggers a greatly enhanced magnetocrystalline anisotropy compared to other ferromagnetic double perovskites. From our magnetostriction data, the temperature dependence of the coercive field as a function of Cr-doping is obtained. We discovered that the coercive field increases as Fe is replaced with Cr, which is linked to a strong enhancement of the magnetic anisotropy. This suggests a close relationship between the Fe[Cr]-O-Re coupling and the magnetic anisotropy. We also analysed the impact of the Re orbital moment on the spin-dependent transport across Sr 2 CrReO 6 grain boundaries. The present work opens up the possible use of these compounds for magnetostrictive applications in a wide temperature and magnetic field range

Isopiestic Determination of the Osmotic and Activity Coefficients of Li₂SO₄(aq) at T=298.15 and 323.15 K, and Representation with an Extended Ion-Interaction (Pitzer) Model

Energy Technology Data Exchange (ETDEWEB)

Rard, Joseph A. [Lawrence Livermore National Laboratory (LLNL); Clegg, Simon L. [University of East Anglia, Norwich, United Kingdom; Palmer, Donald [ORNL

2007-01-01

Isopiestic vapor-pressure measurements were made for Li{sub 2}SO{sub 4}(aq) from 0.1069 to 2.8190 mol{center_dot}kg{sup -1} at 298.15 K, and from 0.1148 to 2.7969 mol{center_dot}kg{sup -1} at 323.15 K, with NaCl(aq) as the reference standard. Published thermodynamic data for this system were reviewed, recalculated for consistency, and critically assessed. The present results and the more reliable published results were used to evaluate the parameters of an extended version of Pitzer's ion-interaction model with an ionic-strength dependent third-virial coefficient, as well as those of the standard Pitzer model, for the osmotic and activity coefficients at both temperatures. Published enthalpies of dilution at 298.15 K were also analyzed to yield the parameters of the ion-interaction models for the relative apparent molar enthalpies of dilution. The resulting models at 298.15 K are valid to the saturated solution molality of the thermodynamically stable phase Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr). Solubilities of Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr) at 298.15 K were assessed and the selected value of m(sat.)=3.13{+-}0.04 mol{center_dot}kg{sup -1} was used to evaluate the thermodynamic solubility product K {sub s}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = (2.62{+-}0.19) and a CODATA-compatible standard molar Gibbs energy of formation {Delta}{sub f} G m{sup 0}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = -(1564.6{+-}0.5) kJ{center_dot}mol{sup -1}.

Stability studies of Hg implanted YBa$_{2}$Cu$_{3}$O$_{6+x}$

CERN Document Server

Araújo, J P; Wahl, U; Marques, J G; Alves, E; Amaral, V S; Lourenço, A A; Galindo, V; Von Papen, T; Senateur, J P; Weiss, F; Vantomme, A; Langouche, G; Melo, A A; Da Silva, M F A; Soares, J C; Sousa, J B

1999-01-01

High quality YBa$_{2}$Cu$_{3}$O$_{6+x}$ (YBCO) superconducting thin films were implanted with the radioactive $^{197m}$Hg (T$_{1/2}$ = 24 h) isotope to low fluences of 10$^{13}$ atoms/cm$^{2}$ and 60 keV energy. The lattice location and stability of the implanted Hg were studied combining the Perturbed Angular Correlation (PAC) and Emission Channeling (EC) techniques. We show that Hg can be introduced into the YBCO lattice by ion implantation into unique regular sites. The EC data show that Hg is located on a highly symmetric site on the YBCO lattice, while the PAC data suggests that Hg occupies the Cu(1) site. Annealing studies were performed under vacuum and O$_{2}$ atmosphere and show that Hg starts to diffuse only above 653 K.

Lithium ion diffusion measurements on a garnet-type solid conductor Li6.6La3Zr1.6Ta0.4O12 by using a pulsed-gradient spin-echo NMR method.

Science.gov (United States)

Hayamizu, Kikuko; Matsuda, Yasuaki; Matsui, Masaki; Imanishi, Nobuyuki

2015-09-01

The garnet-type solid conductor Li7-xLa3Zr2-xTaxO12 is known to have high ionic conductivity. We synthesized a series of compositions of this conductor and found that cubic Li6.6La3Zr1.6Ta0.4O12 (LLZO-Ta) has a high ionic conductivity of 3.7×10(-4)Scm(-1) at room temperature. The (7)Li NMR spectrum of LLZO-Ta was composed of narrow and broad components, and the linewidth of the narrow component varied from 0.69kHz (300K) to 0.32kHz (400K). We carried out lithium ion diffusion measurements using pulsed-field spin-echo (PGSE) NMR spectroscopy and found that echo signals were observed at T≥313K with reasonable sensitivity. The lithium diffusion behavior was measured by varying the observation time and pulsed-field gradient (PFG) strength between 313 and 384K. We found that lithium diffusion depended significantly on the observation time and strength of the PFG, which is quite different from lithium ion diffusion in liquids. It was shown that lithium ion migration in the solid conductor was distributed widely in both time and space. Copyright © 2015 Elsevier Inc. All rights reserved.

Local structure and defects in ion irradiated KTaO3

Science.gov (United States)

Zhang, F. X.; Xi, J.; Zhang, Y.; Tong, Yang; Xue, H.; Huang, R.; Trautmann, C.; Weber, W. J.

2018-04-01

The modification of the local structure in cubic perovskite KTaO3 irradiated with 3 MeV and 1.1 GeV Au ions is studied by Raman and x-ray absorption spectroscopy, complemented by density functional theory (DFT) calculations. In the case of irradiation with 3 MeV Au ions where displacement cascade processes are dominant, the Ta L3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta-O bonds in the TaO6 octahedra splits, which is attributed to the formation of TaK antisite defects that are coupled with oxygen vacancies, V O. This finding is consistent with the DFT calculations. Under irradiation with 1.1 GeV ions, the intense ionization and electronic energy deposition lead to a blue shift and an intensity reduction of active Raman bands. In the case of sequential irradiations, extended x-ray absorption fine structure measurements reveal a decrease in concentration of coupled TaK-V O defects under subsequent irradiation with 1.1 GeV Au ions.

Ion-pair and triple-ion formation of some tetraalkylammonium iodides in n-hexanol and its binary mixtures with o-toluidine

International Nuclear Information System (INIS)

Roy, Mahendra Nath; Sarkar, Lovely; Dewan, Rajani

2011-01-01

The electrolytic conductivity of the tetraalkylammonium iodides, R 4 NI (R = butyl to heptyl), has been studied in (0.00, 0.25, 0.50 and 0.75) mass fraction of o-toluidine (C 7 H 9 N) in n-hexanol (C 6 H 14 O) at T = 298.15 K. The limiting molar conductance Λ 0 , association constants K A and the co-sphere diameter R for ion-pair formation in 0.00 and 0.25 mass fraction of solvent mixture have been evaluated using the Fuoss-equation. However, the deviation of the conductometric curves (Λversusc 1/2 ) from linearity for the electrolytes at 0.50 and 0.75 mass fraction of o-toluidine (C 7 H 9 N) in n-hexanol (C 6 H 14 O) indicates triple ion formation, and therefore the corresponding conductance data have been analyzed by the Fuoss-Kraus theory of triple ions. The observed values of the molar conductivity are explained by the ion-pairs (M + + X - ↔ MX) and triple-ions (2M + +X - ↔M 2 X + ,M + +2X - ↔MX 2 - ) formation. From the investigations, the following trend in conductance of the solvated salts has been observed: Display Omitted

The Effect of Crystal Packing and Re(IV) Ions on the Magnetisation Relaxation of [Mn6 ]-Based Molecular Magnets

OpenAIRE

Martínez-Lillo, José; Cano, Joan; Wernsdorfer, Wolfgang; Brechin, Euan K

2015-01-01

The energy barrier to magnetisation relaxation in single-molecule magnets (SMMs) proffers potential technological applications in high-density information storage and quantum computation. Leading candidates amongst complexes of 3d metals ions are the hexametallic family of complexes of formula [Mn6 O2 (R-sao)6 (X)2 (solvent)y ] (saoH2 =salicylaldoxime; X=mono-anion; y=4-6; R=H, Me, Et, and Ph). The recent synthesis of cationic [Mn6 ][ClO4 ]2 family members, in which the coordinating X ions we...

Measurement of oxygen chemical diffusion in PuO2-x and analysis of oxygen diffusion in PuO2-x and (Pu,U)O2-x

International Nuclear Information System (INIS)

Kato, Masato; Uchida, Teppei; Sunaoshi, Takeo

2013-01-01

Oxygen chemical diffusion in PuO 2-x was investigated in the temperature range of 1473-1873 K by thermogravimetry as functions of oxygen-to-metal (O/M) ratios and temperatures. The oxygen chemical diffusion coefficients, D were determined assuming that the reduction curves were dominated by a diffusion process. The O/M ratio and Pu content dependence on the chemical diffusion coefficients were evaluated. The chemical diffusion coefficient had its minimum value at around O/M=1.98 and decreased with increasing Pu content in (U,Pu)O 2-x . The self-diffusion coefficients were evaluated. A model for describing the relationship among O/M ratio, oxygen chemical diffusion, and self-diffusion was proposed based on defect chemistry. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Vapor pressures and isopiestic molalities of concentrated CaCl2(aq), CaBr2(aq), and NaCl(aq) to T = 523 K

International Nuclear Information System (INIS)

Gruszkiewicz, Miroslaw S.; Simonson, John M.

2005-01-01

The Oak Ridge National Laboratory high-temperature isopiestic apparatus was outfitted with precise pressure gauges to allow for direct vapor pressure measurements. Vapor pressures over concentrated solutions of CaCl 2 (aq), and CaBr 2 (aq) were measured at temperatures between (380.15 and 523.15) K in the range of water activities between 0.2 and 0.85. Isopiestic molalities were used to determine osmotic coefficients at the conditions where NaCl reference standard solutions remained undersaturated. The main goal of this work was to improve the accuracy of isopiestic comparisons based on the calcium chloride reference standard. Osmotic coefficients for CaCl 2 (aq) and CaBr 2 (aq) calculated from both isopiestic and direct vapor pressure results were combined with the literature data and used to build general thermodynamic models based on a variant of extended Pitzer ion-interaction equations and valid at the saturation pressure of water. While these empirical models approach the accuracy of the experimental data in a wider range of concentrations and temperatures than any previously published equations, considerable amounts of accurate data and a substantial effort are required in order to obtain a satisfactory representation using power series-based virial equations. The effect of experimental uncertainties on the accuracy of the direct vapor pressure results is discussed, including in particular the error caused by the presence in the apparatus of a small amount of CO 2 . The substantial decrease of the solubility product of CaCO 3 in concentrated chloride solutions at temperatures above 423 K is a serious defect of calcium chloride as a water activity reference standard

Fabrication of Co{sub 0.5}Ni{sub 0.5}Cr{sub x}Fe{sub 2-x}O{sub 4} materials via sol-gel method and their characterizations

Energy Technology Data Exchange (ETDEWEB)

Kadam, R.H.; Birajdar, A.P. [Materials Research Laboratory, Srikrishna Mahavidyalaya Gunjoti, Omerga, Osmanabad 413613, Maharashtra (India); Alone, Suresh T. [Department of Physics, RS Art' s, Science and Commerce College, Pathri, Aurangabad, Maharashtra (India); Shirsath, Sagar E., E-mail: shirsathsagar@hotmail.com [Spin Device Technology Center, Department of Information Engineering, Shinshu University, Nagano 380-8553 (Japan)

2013-02-15

Co{sub 0.5}Ni{sub 0.5}Cr{sub x}Fe{sub 2-x}O{sub 4} nanoparticles have been designed by the sol-gel auto combustion method, using nitrates of the respective metal ions, and citric acid as the starting materials. The process takes only a few minutes to obtain as-received Cr-substituted Co-Ni ferrite powders. X-ray diffraction (XRD), vibrational sample magnetometer (VSM), transmission electron microscopy (TEM) are utilized in order to study the effect of variation in the Cr{sup 3+} substitution and its impact on particle size, lattice constant, specific surface area, cation distribution and magnetic properties. Lattice parameter, particle size found to decrease with increasing Cr{sup 3+} content, whereas specific surface area showed increasing trend with the Cr{sup 3+} substitution. Cation distribution indicates that the Cr, Co and Ni ions show preference toward octahedral [B] site, whereas Fe occupies both tetrahedral (A) and octahedral [B] sites. Saturation magnetization (M{sub S}) decreased from 65.1 to 40.6 emu/g with the increase in Cr{sup 3+} substitution. However, Coercivity increased from 198 to 365 Oe with the Cr{sup 3+} substitution. - Highlights: Black-Right-Pointing-Pointer Cr{sup 3+} substituted Co--Ni ferrite. Black-Right-Pointing-Pointer Site occupancy of Co--Ni--Cr--Fe ions. Black-Right-Pointing-Pointer Magnetization and coercivity shows inverse trend to each other.

Enhanced electrochemical properties of vanadium-doped titanium niobate as a new anode material for lithium-ion batteries

International Nuclear Information System (INIS)

Wen, Xiaoyan; Ma, Chenxiang; Du, Chenqiang; Liu, Jie; Zhang, Xinhe; Qu, Deyang; Tang, Zhiyuan

2015-01-01

The Vanadium-doped TiNb 2 O 7 (TNO) samples have been investigated as novel anode active materials for application in lithium-ion batteries. The samples are characterized by X-ray diffraction patterns (XRD), raman spectrum, scanning electron microscopy (SEM), transmission electron microscopy (TEM), galvanostatic charge-discharge tests, and cyclic voltammetry (CV) tests. The XRD results indicate that V-doping expands the lattice parameters of TiNb 2 O 7 samples and facilitates the enhanced lithium ion diffusion. SEM and TEM results show that lattice expansion caused by V-doping doesn’t significantly change the particle size distribution of TiNb 2 O 7 samples. The electrochemical measurements indicate that the TiNb 1.98 V 0.02 O 7 anode material displays a highly reversible capacity and excellent cycling stability. The initial discharge capacities of TiNb 1.98 V 0.02 O 7 are 298.48 mAh g −1 and 171.99 mAh g −1 at 0.3C and 10C, respectively, indicating that the TiNb 1.98 V 0.02 O 7 material can be utilized as a promising anode material for lithium-ion batteries.

Attainable high capacity in Li-excess Li-Ni-Ru-O rock-salt cathode for lithium ion battery

Science.gov (United States)

Wang, Xingbo; Huang, Weifeng; Tao, Shi; Xie, Hui; Wu, Chuanqiang; Yu, Zhen; Su, Xiaozhi; Qi, Jiaxin; Rehman, Zia ur; Song, Li; Zhang, Guobin; Chu, Wangsheng; Wei, Shiqiang

2017-08-01

Peroxide structure O2n- has proven to appear after electrochemical process in many lithium-excess precious metal oxides, representing extra reversible capacity. We hereby report construction of a Li-excess rock-salt oxide Li1+xNi1/2-3x/2Ru1/2+x/2O2 electrode, with cost effective and eco-friendly 3d transition metal Ni partially substituting precious 4d transition metal Ru. It can be seen that O2n- is formed in pristine Li1.23Ni0.155Ru0.615O2, and stably exists in subsequent cycles, enabling discharge capacities to 295.3 and 198 mAh g-1 at the 1st/50th cycle, respectively. Combing ex-situ X-ray absorption near edge spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction, high resolution transmission electron microscopy and electrochemical characterization, we demonstrate that the excellent electrochemical performance comes from both percolation network with disordered structure and cation/anion redox couples occurring in charge-discharge process. Li-excess and substitution of common element have been demonstrated to be a breakthrough for designing novel high performance commercial cathodes in rechargeable lithium ion battery field.

Effect of Ca2+ Ions on Electrical Properties of Ba1-x Ca x Ti0.90Sn0.10O3-0.05Y2O3 Ceramics

Science.gov (United States)

Chen, Zhi-hui; Li, Zhi-wei; Ding, Jian-ning; Zhao, Tian-xiang; Qiu, Jian-hua; Zhu, Ke-qian; Xu, Jiu-jun; Zhang, Bing

2018-03-01

Ba1-x Ca x Ti0.90Sn0.10O3-0.05Y2O3 (BCTSY) lead-free piezoceramics with x = 0.02 to 0.10 have been fabricated by solid-state sintering method at 1420°C. The effects of Ca2+ ions on the microstructure and electrical properties of the samples were studied. X-ray diffraction analysis showed that all samples possessed pure perovskite structure with Ca2+ ions diffused into the matrix lattice. The rhombohedral phase and tetragonal phase coexisted in the composition range of 0.02 ceramic became more homogeneous with addition of Ca2+ ions, and the average grain size of the samples decreased from 97 μm (x = 0.02) to 18 μm (x = 0.10). Addition of Ca2+ remarkably improved the piezoelectric properties, enhanced the dielectric frequency dispersion, and increased the Curie temperature of the ceramics. The piezoelectric properties of the ceramics were optimized at x = 0.04 with d 33 and K p values of 579 pC/N and 52.7%, respectively.

Optimized effective potential model for the double perovskites Sr2-xYxVMoO6 and Sr2-xYxVTcO6

International Nuclear Information System (INIS)

Solovyev, I V

2011-01-01

In an attempt to explore half-metallic properties of the double perovskites Sr 2-x Y x VMoO 6 and Sr 2-x Y x VTcO 6 , we construct an effective low-energy model, which describes the behavior of the t 2g states of these compounds. All parameters of such a model are derived rigorously on the basis of first-principles electronic structure calculations. In order to solve this model, we employ the optimized effective potential method and treat the correlation interactions in the random phase approximation. Although correlation interactions considerably reduce the intraatomic exchange splitting in comparison with the Hartree-Fock approach, this splitting still substantially exceeds the typical values obtained in the local-spin-density approximation (LSDA), which alters many predictions based on the LSDA. Our main results are summarized as follows. (i) All ferromagnetic states are expected to be half-metallic. However, their energies are generally higher than those of the ferrimagnetic ordering between V and Mo/Tc sites (except Sr 2 VMoO 6 ). (ii) All ferrimagnetic states are metallic (except fully insulating Y 2 VTcO 6 ) and no half-metallic antiferromagnetism has been found. (iii) Moreover, many of the ferrimagnetic structures appear to be unstable with respect to the spin-spiral alignment. Thus, the true magnetic ground state of these systems is expected to be more complex. In addition, we discuss several methodological issues related to nonuniqueness of the effective potential for the half-metallic and magnetic insulating states.

Observation-based modelling and analysis of O3 Production in the Seoul Metropolitan Area during KORUS-AQ

Science.gov (United States)

Schroeder, J.; Crawford, J. H.; Fried, A.; Weinheimer, A. J.; Blake, D. R.; Blake, N. J.; Wisthaler, A.; Lee, G.; Ahn, J. Y.

2017-12-01

The Seoul Metropolitan Area (SMA) has a population of 24 million and frequently experiences unhealthy levels of ozone (O3). In this work, data from the Korea-United States Air Quality Study (KORUS-AQ, May 2 - June 11, 2016) were used to constrain a 0-D photochemical box model, allowing for calculation of key photochemical parameters related to O3 chemistry in the SMA. During KORUS-AQ, the NASA DC-8 flew 20 research flights over the Korean Peninsula. Routine overflights of the SMA in the morning, midday, and afternoon allowed for evaluation of diurnal photochemical tendencies in both the urban core of Seoul and surrounding areas. During KORUS-AQ, the SMA experienced 39 days where the max 8-hour O3 exceeded the Korean AQS value of 60 ppbv. Box model calculations constrained with high-frequency data from the DC-8 show that rates of net O3 production (P(O3)) in urban Seoul were similar to outlying metropolitan areas across all times of day, with the highest median values occurring around midday in both cases ( 15 ppbv/hr). Although mixing ratios of key ozone precursors such as NOx and reactive VOCs were substantially higher in urban Seoul than outlying areas, net P(O3) was sustained across the region due to non-linearities in O3 chemistry. Box model calculations show that urban Seoul was strongly radical-limited, while outlying areas were either slightly NOx-limited or near the `transition' area. This suggests that P(O3) can be mitigated in urban Seoul by reducing VOC emissions, but regional air quality would benefit from reductions in both NOx and VOCs. Box model simulations of the response of P(O3) to omitting select VOCs suggest that reactive aromatics - particularly toluene, which had a median mixing ratio of 2 ppbv across SMA - contributed most to radical abundances ( 60%) and P(O3), and reductions in aromatic emissions would be most effective towards reducing P(O3). Biogenics and light alkenes account for 25% and 10% of radical abundances in the SMA, respectively

Apparent molar volumes and apparent molar heat capacities of Pr(NO3)3(aq), Gd(NO3)3(aq), Ho(NO3)3(aq), and Y(NO3)3(aq) at T (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa

International Nuclear Information System (INIS)

Hakin, Andrew W.; Liu Jinlian; Erickson, Kristy; Munoz, Julie-Vanessa; Rard, Joseph A.

2005-01-01

Relative densities and relative massic heat capacities have been measured for acidified solutions of Y(NO 3 ) 3 (aq), Pr(NO 3 ) 3 (aq), and Gd(NO 3 ) 3 (aq) at T = (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa. In addition, relative densities and massic heat capacities have been measured at the same temperatures and pressure for Y(NO 3 ) 3 (aq) and Ho(NO 3 ) 3 (aq) solutions without excess acid (n.b. measurements at T = 328.15 K for Ho(NO 3 ) 3 (aq) were not performed due to the limited volume of solution available). Apparent molar volumes and apparent molar heat capacities for the aqueous salt solutions have been calculated from the experimental apparent molar properties of the acidified solutions using Young's rule, whereas the apparent molar properties of the solutions without excess acid were calculated directly from the measured densities and massic heat capacities. The two sets of data for the Y(NO 3 ) 3 (aq) systems provide a check of the internal consistency of the Young's rule approach we have utilised. The concentration dependences of the apparent molar volumes and heat capacities of the aqueous salt solutions have been modelled at each investigated temperature using the Pitzer ion interaction equations to yield apparent molar properties at infinite dilution. Complex formation within the aqueous rare earth nitrate systems is discussed qualitatively by probing the concentration dependence of apparent molar volumes and heat capacities. In spite of the complex formation in the aqueous rare earth nitrate systems, there is a high degree of self-consistency between the apparent molar volumes and heat capacities at infinite dilution reported in this manuscript and those previously reported for aqueous rare earth perchlorates

0.5 to 6 MeV Ar ion induced X-ray emission in view to analytical application

International Nuclear Information System (INIS)

Tenorio Castilleros, M.D.

1979-01-01

A study of the X-ray emission induced by 0.5 to 6 MeV Ar ions has been realized in view of multielemental analytical applications. The historical development of the use of heavy ion induced X-ray emission in analysis and the theoretical background of inner-shell ionization in heavy ion-atom collisions are described. The emission of non characteristic X-rays and the effects related to the penetration of heavy ions in matter are also related. The experimental part contains a description of the experimental devices and of the X-ray spectra fitting method. Thick target yields as a function of the target Z and the Ar ion energy are reported. The analytical possibilities are examined and an application to the analysis of Si and Cl in cadmium telluride crystals is given [fr

Neutron diffraction analysis and electrochemical performance of spinel Ni(Mn{sub 2−x}Co{sub x})O{sub 4} as anode materials for lithium ion battery

Energy Technology Data Exchange (ETDEWEB)

Zhao, Hu; Liu, Lei; Hu, Zhongbo [College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049 (China); Sun, Limei, E-mail: sunlm@ciae.ac.cn [Department of Nuclear and Physics, China Institute of Atomic Energy, Beijing 102413 (China); Han, Songbai; Liu, Yuntao; Chen, Dongfeng [Department of Nuclear and Physics, China Institute of Atomic Energy, Beijing 102413 (China); Liu, Xiangfeng, E-mail: liuxf@ucas.ac.cn [College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049 (China)

2016-05-15

Highlights: • The reversible capacity and cyclability of Ni(Mn{sub 2−x}Co{sub x})O{sub 4} first increases and then decreases with increasing Co content. • Neutron diffraction and Rielveld refinements are applied to analyze the site occupancies of Mn, Co, O and Ni. • Excessive Co ions in 8a and 16d sites reduce the structure stability leading to poor electrochemical performance. - Abstract: The effects of Co substitution on the structure and electrochemical performances of spinel Ni(Mn{sub 2−x}Co{sub x})O{sub 4} (x = 0, 0.5, and 1.0) have been investigated. With the increase of Co content the lattice parameters decrease owing to the smaller ion radius of Co than Mn. The reversible capacity and cyclability of Ni(Mn{sub 2−x}Co{sub x})O{sub 4} first increase and then decrease with the increase of Co content and NiMn{sub 1.5}Co{sub 0.5}O{sub 4} shows the best electrochemical performance in compared to the other two samples. Neutron diffraction and Rielveld refinement are further applied to analyze the site occupancies of the elements of Mn, Co, O and Ni. A certain amount of Co ions substitution are favorable to enhance the electrochemical performance, but excessive Co ions in 8a and 16d sites reduce the stability of host structure which leads to the poor electrochemical performance.

Valence states of cobalt and crystal structure peculiarities of solid solution YBa2Cu3-xCoxO6+σ

International Nuclear Information System (INIS)

Voronin, V.I.; Goshchinskij, B.N.; Mitberg, Eh.B.; Leonidov, I.A.; Kozhevnikov, V.L.

2000-01-01

Crystal structure of solid solution YBa 2 Cu 3-x Co x O 6+σ , where x = 0.2, 0.4, 0.6 and 0.8, is studied by the method of powder neutron diffraction. Charge states of the cation are calculated using the interatomic distances obtained. It is shown that cobalt in Cu1 position has valency 3 + and octahedral coordination at x = 0.2 and 0.4. Increase in doping degree involves both transition of a portion of cobalt ions in the positions mentioned to the state with valence 4 + and tetrahedral coordination and partial substitution of copper in Cu2 position [ru

Complex formation of hypoxanthine and 6-mercaptopurine with Cd(II) ion

International Nuclear Information System (INIS)

Perello, L.; Borras, J.; Soto, L.; Gordo, F.J.; Gordo, J.C.

1984-01-01

Reaction of Cd(II) ion with hypoxanthine (H 2 Y) and with 6-mercaptopurine (H 2 MP) in dioxane-water (50%) leads to the formation of CdY x 2H 2 O and Cd(HMP) 2 x 2H 2 O, respectively. In methanolic medium Cd(II) and H 2 MP give Cd(MP) x H 2 O. These compounds have been characterized by chemical analysis, IR spectra and thermogravimetric analysis. The stability constant of CdY complex at 25 +- 0.1 0 C and 1M ionic strength with NaClO 4 in dioxane-water medium is logβ = 10.25 +- 0.05. (Author)

Thermal expansion of lanthanum silicate oxyapatite (La9.33+2x(SiO4)6O2+3x), lanthanum oxyorthosilicate (La2SiO5) and lanthanum sorosilicate (La2Si2O7)

International Nuclear Information System (INIS)

Fukuda, Koichiro; Asaka, Toru; Uchida, Tomohiro

2012-01-01

Four types of powder specimens of La 9.33 (SiO 4 ) 6 O 2 (space group P6 3 /m and Z=1), La 9.33+2x (SiO 4 ) 6 O 2+3x with 0.06≤x≤0.13 (P6 3 /m and Z=1), La 2 SiO 5 (P2 1 /c and Z=4) and La 2 Si 2 O 7 (P2 1 /c and Z=4) were examined by high-temperature X-ray powder diffractometry to determine the changes in unit-cell dimensions up to 1473 K. The anisotropy of thermal expansion was demonstrated for the former two crystals to clarify the thermal behaviors of the highly c-axis-oriented polycrystals. With La 9.33 (SiO 4 ) 6 O 2 , the linear expansion coefficient of the a-axis (α a ) was 4.8×10 −6 K −1 and that of the c-axis (α c ) was 1.8×10 −6 K −1 in the temperature range from 298 to 1473 K. The α a - and α c -values of La 9.33+2x (SiO 4 ) 6 O 2+3x (0.06≤x≤0.13) were, respectively, 5.9×10 −6 K −1 and 2.3×10 −6 K −1 . The coefficients of mean linear thermal expansion were 4.9×10 −6 K −1 for La 2 SiO 5 and 6.0×10 −6 K −1 for La 2 Si 2 O 7 , which describe the thermal expansion behaviors of the randomly grain-oriented polycrystalline materials. - Graphical abstarct: Temperature dependence of the coefficients of thermal expansion (CTE). The linear CTE along the a-axes for La 9.33 (SiO 4 ) 6 O 2 and La 9.33+2x (SiO 4 ) 6 O 2+3x with 0.06≤x≤0.13. The mean linear CTE for La 2 SiO 5 and La 2 Si 2 O 7 . Highlights: ► We examined the thermal expansion of La 9.33+2x (SiO 4 ) 6 O 2+3x (x=0 and 0.06≤x≤0.13), La 2 SiO 5 and La 2 Si 2 O 7 ► Unit-cell dimensions were determined up to 1473 K by high-temperature X-ray diffraction ► Anisotropic expansion was clarified for La 9.33+2x (SiO 4 ) 6 O 2+3x (x=0 and 0.06≤x≤0.13) ► Mean linear thermal expansion was determined for La 2 SiO 5 and La 2 Si 2 O 7.

The solubility and site preference of Fe3+ in Li7−3xFexLa3Zr2O12 garnets

International Nuclear Information System (INIS)

Rettenwander, D.; Geiger, C.A.; Tribus, M.; Tropper, P.; Wagner, R.; Tippelt, G.; Lottermoser, W.; Amthauer, G.

2015-01-01

A series of Fe 3+ -bearing Li 7 La 3 Zr 2 O 12 (LLZO) garnets was synthesized using solid-state synthesis methods. The synthetic products were characterized compositionally using electron microprobe analysis and inductively coupled plasma optical emission spectroscopy (ICP-OES) and structurally using X-ray powder diffraction and 57 Fe Mössbauer spectroscopy. A maximum of about 0.25 Fe 3+ pfu could be incorporated in Li 7−3x Fe x La 3 Zr 2 O 12 garnet solid solutions. At Fe 3+ concentrations lower than about 0.16 pfu, both tetragonal and cubic garnets were obtained in the synthesis experiments. X-ray powder diffraction analysis showed only a garnet phase for syntheses with starting materials having intended Fe 3+ contents lower than 0.52 Fe 3+ pfu. Back-scattered electron images made with an electron microprobe also showed no phase other than garnet for these compositions. The lattice parameter, a 0 , for all solid-solution garnets is similar with a value of a 0 ≈12.98 Å regardless of the amount of Fe 3+ . 57 Fe Mössbauer spectroscopic measurements indicate the presence of poorly- or nano-crystalline FeLaO 3 in syntheses with Fe 3+ contents greater than 0.16 Fe 3+ pfu. The composition of different phase pure Li 7−3x Fe x La 3 Zr 2 O 12 garnets, as determined by electron microprobe (Fe, La, Zr) and ICP-OES (Li) measurements, give Li 6.89 Fe 0.03 La 3.05 Zr 2.01 O 12 , Li 6.66 Fe 0.06 La 3.06 Zr 2.01 O 12 , Li 6.54 Fe 0.12 La 3.01 Zr 1.98 O 12 , and Li 6.19 Fe 0.19 La 3.02 Zr 2.04 O 12 . The 57 Fe Mössbauer spectrum of cubic Li 6.54 Fe 0.12 La 3.01 Zr 1.98 O 12 garnet indicates that most Fe 3+ occurs at the special crystallographic 24d position, which is the standard tetrahedrally coordinated site in garnet. Fe 3+ in smaller amounts occurs at a general 96h site, which is only present for certain Li-oxide garnets, and in Li 6.54 Fe 0.12 La 3.01 Zr 1.98 O 12 this Fe 3+ has a distorted 4-fold coordination. - Graphical abstract: Cubic nominally Li 7 La 3 Zr 2 O

Ion bombardment and adsorption studies on ilmenite (FeTiO3) by X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Schulze, P.D.

1983-01-01

The effects of 5 KeV argon and oxygen ion bombardment on FeTiO3 (ilmenite) at low temperatures have been studied using x-ray photoelectron spectroscopy (XPS). Also, using this same technique, the adsorption of O 2 , NO, N 2 O, and CO at 300 K and the adsorption of O 2 and D 2 O at 150K have been studied. Argon and oxygen ion bombardment of ilmenite have confirmed earlier studies on metal oxides that argon ions generally reduce the anion species while oxygen ions generally oxidize the anion species. The two iron states involved were Fe sup +2 and Fe sup O. The reduction of Ti sup +4 was not verified although a significant shift in the Ti(2p1,3) binding energies toward the metallic state was observed after oxygen ion bombardment at low temperatures. At temperatures above 150K, O 2 adsorbs dissociatively on ilmenite while D 2 O adsorbs molecularly below 170K. Above 300 K NO, N 2 O, and CO do not appear to adsorb dissociatively. Low temperature adsorption of D 2 O was found to be inhibited by predosing the ilmenite with O 2

Ion bombardment and adsorption studies on ilmenite (FeTiO3) by X-ray photoelectron spectroscopy

Science.gov (United States)

Schulze, P. D.

1983-01-01

The effects of 5 KeV argon and oxygen ion bombardment on FeTiO3 (ilmenite) at low temperatures have been studied using X-ray photoelectron spectroscopy (XPS). Also, using this same technique, the adsorption of O2, NO, N2O, and CO at 300 K and the adsorption of O2 and D2O at 150K have been studied. Argon and oxygen ion bombardment of ilmenite have confirmed earlier studies on metal oxides that argon ions generally reduce the anion species while oxygen ions generally oxidize the anion species. The two iron states involved were Fe sup +2 and Fe sup O. The reduction of Ti sup +4 was not verified although a significant shift in the Ti(2p1,3) binding energies toward the metallic state was observed after oxygen ion bombardment at low temperatures. At temperatures above 150K, O2 adsorbs dissociatively on ilmenite while D2O adsorbs molecularly below 170K. Above 300 K No, N2O, and CO do not appear to adsorb dissociatively. Low temperature adsorption of D2O was found to be inhibited by predosing the ilmenite with O2.

Enhancement of magnetoresistance and ferromagnetic coupling in the complex perovskites CaCu{sub 3}(Mn{sub 4−x}Al{sub x})O{sub 12} (x = 0, 0.2, 0.4, and 0.6): A neutron diffraction study

Energy Technology Data Exchange (ETDEWEB)

Ben Hassine, R.; Cherif, W. [Faculty of Sciences, Sfax University, Sfax, B.P. 1171-3000 (Tunisia); Sánchez-Benítez, J. [Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Mompean, F. J.; Alonso, J. A., E-mail: ja.alonso@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, Cantoblanco, E-28049 Madrid (Spain); Fernández-Díaz, M. T. [Institut Laue-Langevin, B.P. 156, F-38042 Grenoble Cedex 9 (France); Elhalouani, F. [National School of Engineers, Sfax University, Sfax, B.P. W 3038 (Tunisia)

2015-09-14

New compounds of the series CaCu{sub 3}(Mn{sub 4−x}Al{sub x})O{sub 12} have been prepared under high pressure conditions (2 GPa), in the presence of KClO{sub 4} as oxidizing agent to stabilize Mn{sup 3+,4+} mixed valence. The polycrystalline samples have been characterized by x-ray diffraction, neutron powder diffraction (NPD), magnetic, and magnetotransport measurements. All the samples are cubic, space group Im-3. These oxides adopt a superstructure of ABO{sub 3} perovskite given by the long-range 1:3 ordering of Ca{sup 2+} and Cu{sup 2+} ions at the A sublattice. The NPD study for x = 0.4 shows that Al{sup 3+} ions are statistically distributed at the octahedral positions, being the (Mn,Al)O{sub 6} octahedra strongly tilted, with superexchange (Mn,Al)-O-(Mn,Al) angles of 142.1°. Also, neutron data clearly show that some Mn{sup 3+} ions (0.65(2) per formula) are located together with Cu{sup 2+} at the square-planar 6b positions. Regarding the magnetic properties, all the compounds present a spontaneous increase of the magnetization below T{sub C}, typical of ferro-or ferrimagnetic materials, with T{sub C} decreasing upon Al introduction. The magnetic structure determined from low-temperature NPD data unveils a ferromagnetic coupling between (Cu{sup 2+}, Mn{sup 3+}){sub 6b} spins and Mn{sub 8c} spins at octahedral positions; this is in contrast with the ferrimagnetic structure observed for RCu{sub 3}Mn{sub 4}O{sub 12} and CaCu{sub 3}Mn{sub 4}O{sub 12}, where an AFM coupling is observed between both magnetic sublattices. Interestingly, an enhancement of the magnetoresistance effect is observed for x = 0.2, well beyond that found for the parent compound. This effect, in materials subtly doped with non-magnetic elements at the Mn positions, may be of interest for applications.

The solubility and site preference of Fe{sup 3+} in Li{sub 7−3x}Fe{sub x}La{sub 3}Zr{sub 2}O{sub 12} garnets

Energy Technology Data Exchange (ETDEWEB)

Rettenwander, D., E-mail: daniel.rettenwander@sbg.ac.at [Department of Materials Research and Physics, University of Salzburg, 5020 Salzburg (Austria); Geiger, C.A. [Department of Materials Research and Physics, University of Salzburg, 5020 Salzburg (Austria); Tribus, M.; Tropper, P. [Institute of Mineralogy and Petrography, Faculty of Geo- and Atmospheric Sciences, University of Innsbruck, Innrain 52, 6020 Innsbruck (Austria); Wagner, R.; Tippelt, G.; Lottermoser, W.; Amthauer, G. [Department of Materials Research and Physics, University of Salzburg, 5020 Salzburg (Austria)

2015-10-15

amounts occurs at a general 96h site, which is only present for certain Li-oxide garnets, and in Li{sub 6.54}Fe{sub 0.12}La{sub 3.01}Zr{sub 1.98}O{sub 12} this Fe{sup 3+} has a distorted 4-fold coordination. - Graphical abstract: Cubic nominally Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZO) garnet is a promising candidate to be used as a solid electrolyte in Li-ion batteries. A series of Fe{sup 3+}-bearing LLZO garnets was synthesized and characterized compositionally and structurally. {sup 57}Mössbauer measurements were made to determine where Fe is incorporated in the crystal structure. X-ray diffraction, electron microprobe, ICP-OES and {sup 57}Mössbauer measurements are needed to obtain a full description of the synthetic products, some of which contain small amounts of nano- or poorly crystalline FeLaO{sub 3}. - Highlights: • A series of Fe{sup 3+}-bearing Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZO) garnets was synthesized and characterized compositionally and structurally. • {sup 57}Mössbauer measurements were made to determine where Fe is incorporated in the crystal structure. • Most Fe{sup 3+} substitutes for Li{sup +} in LLZO at the 24d and 96h sites in the cubic phase (Ia-3d). • No more than about 0.25 Fe{sup 3+} pfu can be incorporated into the LLZO garnet structure. • X-ray powder diffractions measurements indicate the presence of both cubic and tetragonal garnets phases in some syntheses. • The probable presence of small amounts of poorly or nano-crystalline FeLaO3 can only be identified by Mössbauer spectroscopy.

Hydrothermal growth of CuO nanoleaf structures, and their mercuric ion detection application.

Science.gov (United States)

Ibupoto, Z H; Khun, K; Willander, M

2014-09-01

Mercury is the hazardous heavy metal ion for the environment and the human being therefore its determination is very important and herein we describe the development of mercury ion sensor on the CuO nanoleaf like nanostructures using cetyltrimethylammonium bromide (CTAB) surfactant as template for the growth by hydrothermal growth method. Scanning electron microscopy and X-ray diffraction study has shown high density and good crystal quality of the fabricated CuO nanostructures respectively. The presented mercury ion sensor has detected the wide range of 1.0 x 10(-7) to 1.0 x 10(-1) M mercury ion concentrations with an acceptable Nernstian behaviour and a sensitivity of 30.1 ± 0.6 mV/decade. The proposed mercury ion sensor exhibited low detection limit of 1.0 x 10(-8) M and also a fast response time of less than 5 s. In addition, the presented mercury ion sensor has shown an excellent repeatability, reproducibility, stability and selectivity. Moreover, the mercury ion selective electrode based on CuO nanoleaves was tested as an indicator electrode in the potentiometric titration.

Synthesis of KMnO4-treated magnetic graphene oxide nanocomposite (Fe3O4@GO/MnO x ) and its application for removing of Cu2+ ions from aqueous solution

Science.gov (United States)

Zhang, Huining; Chang, Qing; Jiang, Yu; Li, Huili; Yang, Yahong

2018-04-01

A magnetic KMnO4-treated graphene-oxide-based nanocomposite, Fe3O4@GO/MnO x , was synthesized through a facile hydrothermal technique. The properties of the Fe3O4@GO/MnO x nanocomposite were characterized by SEM, XRD and FTIR. Batch experiments showed that the maximum adsorption capacity calculated by the Langmuir model for Cu2+ was 62.65 mg g-1 at T = 303.15 K. Kinetics and XPS analysis also revealed that the mechanism of Cu2+ removal was mainly a chemical adsorption process involving both the MnO x particles and oxygen functional groups. The prepared Fe3O4@GO/MnO x was found to be an ideal adsorbent for the removal of Cu2+ ions due to the MnO x particle coating, and was easily separated using a magnetic field after utilization. Reusability studies imply that Fe3O4@GO/MnO x is a suitable material for heavy metal ion removal from aqueous solutions in real applications.

Structure and mechanical properties of swift heavy ion irradiated tungsten-bearing delta-phase oxides Y{sub 6}W{sub 1}O{sub 12} and Yb{sub 6}W{sub 1}O{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Tang, M., E-mail: mtang@lanl.gov [Materials Science and Technology Division, Mail-Stop G755, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wynn, T.A. [Materials Physics and Application Division, Mail-Stop K771, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Patel, M.K.; Won, J. [Materials Science and Technology Division, Mail-Stop G755, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Monnet, I. [CIMAP, CEA-CNRS-ENSICAEN-Universite de Caen Normandie, Bd Henri Becquerel, BP 5133, F-14070, Caen Cedex 5 (France); Pivin, J.C. [Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse, CNRS-IN2P3-Universite Paris Sud, UMR 8609, Bat. 108, 91405 Orsay (France); Mara, N.A. [Materials Physics and Application Division, Mail-Stop K771, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Sickafus, K.E. [Materials Science and Technology Division, Mail-Stop G755, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2012-06-15

We report on the relationship between structure and mechanical properties of complex oxides whose structures are derivatives of fluorite, following irradiation with swift heavy ion (92 MeV Xe) which approximately simulates fission product irradiation, where the electronic energy loss dominates. The two compounds of interest in this paper are Y{sub 6}W{sub 1}O{sub 12} and Yb{sub 6}W{sub 1}O{sub 12}. These compounds possess an ordered, fluorite derivative crystal structure known as the delta ({delta}) phase, a rhombohedral structure belonging to space group R3{sup Macron}. Structural changes induced by irradiation were examined using X-ray diffraction (XRD) and transmission electron microscopy (TEM). XRD investigations indicated an irradiation-induced amorphization in these compounds. This result is consistent with our previous study on Y{sub 6}W{sub 1}O{sub 12} under displacive radiation environment in which the nuclear energy loss is dominant. High resolution TEM also revealed that individual ion tracks was amorphized. The mechanical properties of both irradiated compounds, were determined by cross-sectional nano-indentation measurements as a function of ion penetration depth. The decreases in Young's modulus, E, and hardness, H (both by about 40% at the irradiated surface) suggest amorphization beyond simple defect accumulation occurs under this irradiation condition.

Vapor pressures and isopiestic molalities of concentrated CaCl{sub 2}(aq), CaBr{sub 2}(aq), and NaCl(aq) to T = 523 K

Energy Technology Data Exchange (ETDEWEB)

Gruszkiewicz, Miroslaw S. [Oak Ridge National Laboratory, Chemical Sciences Division, P.O. Box 2008, Building 4500S MS-6110, Oak Ridge, TN 37831-6110 (United States)]. E-mail: gruszkiewicz@ornl.gov; Simonson, John M. [Oak Ridge National Laboratory, Chemical Sciences Division, P.O. Box 2008, Building 4500S MS-6110, Oak Ridge, TN 37831-6110 (United States)]. E-mail: simonsonjm@ornl.gov

2005-09-15

The Oak Ridge National Laboratory high-temperature isopiestic apparatus was outfitted with precise pressure gauges to allow for direct vapor pressure measurements. Vapor pressures over concentrated solutions of CaCl{sub 2}(aq), and CaBr{sub 2}(aq) were measured at temperatures between (380.15 and 523.15) K in the range of water activities between 0.2 and 0.85. Isopiestic molalities were used to determine osmotic coefficients at the conditions where NaCl reference standard solutions remained undersaturated. The main goal of this work was to improve the accuracy of isopiestic comparisons based on the calcium chloride reference standard. Osmotic coefficients for CaCl{sub 2}(aq) and CaBr{sub 2}(aq) calculated from both isopiestic and direct vapor pressure results were combined with the literature data and used to build general thermodynamic models based on a variant of extended Pitzer ion-interaction equations and valid at the saturation pressure of water. While these empirical models approach the accuracy of the experimental data in a wider range of concentrations and temperatures than any previously published equations, considerable amounts of accurate data and a substantial effort are required in order to obtain a satisfactory representation using power series-based virial equations. The effect of experimental uncertainties on the accuracy of the direct vapor pressure results is discussed, including in particular the error caused by the presence in the apparatus of a small amount of CO{sub 2}. The substantial decrease of the solubility product of CaCO{sub 3} in concentrated chloride solutions at temperatures above 423 K is a serious defect of calcium chloride as a water activity reference standard.

Measurement of oxygen chemical diffusion in PuO{sub 2-x} and analysis of oxygen diffusion in PuO{sub 2-x} and (Pu,U)O{sub 2-x}

Energy Technology Data Exchange (ETDEWEB)

Kato, Masato; Uchida, Teppei [Advanced Nuclear System Research and Development Directorate, Japan Atomic Energy Agency, 4-33 Muramatsu, Tokai-mura, Ibaraki 319-1194 (Japan); Sunaoshi, Takeo [Inspection Development Company Ltd., 4-33 Muramatsu, Tokai-mura, Ibaraki 319-1194 (Japan)

2013-02-15

Oxygen chemical diffusion in PuO{sub 2-x} was investigated in the temperature range of 1473-1873 K by thermogravimetry as functions of oxygen-to-metal (O/M) ratios and temperatures. The oxygen chemical diffusion coefficients, D were determined assuming that the reduction curves were dominated by a diffusion process. The O/M ratio and Pu content dependence on the chemical diffusion coefficients were evaluated. The chemical diffusion coefficient had its minimum value at around O/M=1.98 and decreased with increasing Pu content in (U,Pu)O{sub 2-x}. The self-diffusion coefficients were evaluated. A model for describing the relationship among O/M ratio, oxygen chemical diffusion, and self-diffusion was proposed based on defect chemistry. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

X-ray induced inactivation of the capacity for photosynthetic oxygen evolution and nitrate reduction in blue-green algae

International Nuclear Information System (INIS)

Stevens, S.E. Jr.; Simic, M.G.; Rao, V.S.K.

1975-01-01

The level of inactivation of oxygen evolving photosynthesis in the green alga, Chlorella pyrenoidosa was 12 percent in N 2 at a dose of 100 krad of x irradiation. Under similar conditions, as well as under O 2 , there resulted a 20 percent inactivation of the same function in the blue-green algae, Agmenellum quadruplicatum, strains PR-6 and AQ-6. Nitrate reduction capacity in the mutant AQ-6 was inactivated to 40 percent in N 2 and to 7 percent in O 2 . Catalase and formate provided some protection from irradiation in O 2 , suggesting some inactivation by H 2 O 2 . Most of the damage to the nitrate reduction system resulted from the direct action of x irradiation on a constitutive subunit of the nitrate reductase complex. Moreover, the slight inactivation of the O 2 evolving system, a function which is associated with photosystem II, cannot account for the inactivation of nitrate reduction

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.

Spectroscopic and quantum-chemical investigation of association of ions in acetonitrile - LiX (X=I, ClO4, NCS) systems

International Nuclear Information System (INIS)

Semenov, S.G.; Solov'eva, L.A.; Akopyan, S.Kh.

1995-01-01

Data on association constants of ions in acetonitrile-salt binary systems, obtained from the data on intensity of IR absorption bands of acetonitrile (Acn) molecules contained in solvate shells of Li + cations, have been analyzed. Using the CCP MO LCAO semiempirical method in the PPDP approximation, electronic structure of acetonitrile molecule and Acn k Li + and Acn m Li + X - complexes has been studied. It is ascertained that relative stability of ionic pairs Acn 3 Li + X - , estimated by the squares of their dipole momenta (characterizing solvation energy) increases in the series X=I, ClO 4 , NCS in agreement with data of spectroscopic experiment, according to which the constant of ion association for LiNCS solution in acetonitrile is much higher than for the systems CH 3 CN-LiI and CH 3 CN-LiClO 4 . 13 refs.,2 figs., 2 tabs.64

Photoluminescence of rare-earth ion (Eu3+, Tm3+, and Er3+)-doped and co-doped ZnNb2O6 for solar cells

Science.gov (United States)

Gao, Sen-Pei; Qian, Yan-Nan; Wang, Biao

2015-08-01

Visible converted emissions produced at an excitation of 286 nm in ZnNb2O6 ceramics doped with rare-earth ions (RE = Eu3+, Tm3+, Er3+ or a combination of these ions) were investigated with the aim of increasing the photovoltaic efficiency of solar cells. The structure of RE:ZnNb2O6 ceramics was confirmed by x-ray diffraction patterns. The undoped ZnNb2O6 could emit a blue emission under 286-nm excitation, which is attributed to the self-trapped excitons’ recombination of the efficient luminescence centers of edge-shared NbO6 groups. Upon 286-nm excitation, Eu:ZnNb2O6, Tm:ZnNb2O6, and Er:ZnNb2O6 ceramics showed blue, green, and red emissions, which correspond to the transitions of 5D0 → 7FJ (J = 1-4) (Eu3+), 1G4 → 3H6 (Tm3+), and 2H11/2/4S3/2 → 4I15/2 (Er3+), respectively. The calculated CIE chromaticity coordinates of Eu:ZnNb2O6, Tm:ZnNb2O6, and Er:ZnNb2O6 are (0.50, 0.31), (0.14, 0.19), and (0.29, 0.56), respectively. RE ion-co-doped ZnNb2O6 showed a combination of characteristic emissions. The chromaticity coordinates of Eu/Tm:ZnNb2O6, Eu/Er:ZnNb2O6, and Tm/Er:ZnNb2O6 were calculated to be (0.29, 0.24), (0.45, 0.37), and (0.17, 0.25). Project supported by the National Natural Science Foundation of China (Grant Nos. 10572155 and 10732100) and the Research Fund for the Doctoral Program of Ministry of Education, China (Grant No. 20130171130003).

X-ray photoelectron spectroscopy study on Ba1-xEuxTiO3

International Nuclear Information System (INIS)

Lu, D.-Y.; Sugano, Mikio; Sun Xiuyun; Su Wenhui

2005-01-01

X-ray photoelectron spectroscopy is employed to study inner-shell core-level binding energies Eu 4d, Ti 2p and O 1s, Ba 3d for new single-phase Ba 1-x Eu x TiO 3 (0.1 ≤ x ≤ 0.4) samples prepared by solid state reaction at 4.0 GPa and 1090 deg. C. The peak positions of binding energies determined by linear background subtraction and Gaussian fit are presented. XPS analysis indicates that the mixed-valent Eu 3+ /Eu 2+ ions at A-site and Ti 4+ /Ti 3+ ions at B-site coexisted in the Ba 1-x Eu x TiO 3 powder surface, and the amount of Eu 2+ ions is equal to Eu 3+ ions

Tritium stripping in a nitrogen glovebox using SAES St 198

International Nuclear Information System (INIS)

Klein, J.E.; Wermer, J.R.

1994-01-01

SAES metal getter material St 198 was chosen for glovebox stripper tests to evaluate its effectiveness of removing tritium from a nitrogen atmosphere. The St 198 material is unique from a number of other metal hydride-based getter materials in that it is relatively inert to nitrogen and can thus be used in nitrogen glovebox atmospheres. Six tritium stripper experiments which mock-up the use of a SAES St 198 stripper bed for a full-scale (10,500 liter) nitrogen glovebox have been completed. Experiments consisted of a release of small quantity of protium/deuterium spiked with tritium which were scaled to simulate tritium releases of 0.1 g., 1.0 g., and 10 g. into the glovebox. The tritium spike allows detection using tritium ion chambers. The St 198 stripper system produced a reduction in tritium activity of approximately two orders of magnitude in 24 hours (6--8 atmosphere turn-overs) of stripper operation

Phase transitions and electrical properties of Bi2W1−xNbxO6−y and Bi2W1−xTaxO6−y

International Nuclear Information System (INIS)

Kharitonova, E.P.; Voronkova, V.I.; Gagor, A.B.; Pietraszko, A.P.; Alekseeva, O.A.

2013-01-01

Highlights: •The limit of Bi 2 W 1−x Me x O 6−y solid solutions is at x = 0.1, 0.15 for Me = Nb, Ta. •Ta and Nb substitutions for W suppress the reconstructive phase transition. •Bi 2 W 0.9 Nb 0.1 O 6−y samples belong to Aurivillius-type structure up to their melting. •Nb and Ta doping shifts ferroelectric transition to low temperatures up to 200 °C. •The highest conductivity reaches 10 −1 S/cm at 800 °C (x = 0.05, 0.1; Me = Nb, Ta). -- Abstract: Polycrystalline samples of Bi 2 W 1−x Me x O 6−y (Me = Nb, Ta) solid solutions have been prepared by solid-state reactions, and the influence of Nb and Ta substitutions for W on the polymorphism and electrical properties of Bi 2 WO 6 has been studied. The limit of the solid solutions is at x = 0.1 for Me = Nb and at x = 0.15 for Me = Ta. The distinctive features of the polymorphism of the Nb- and Ta-doped materials have been identified. According to differential scanning calorimetry data, tantalum and niobium substitutions for tungsten increase the temperature of the high-temperature, orthorhombic-to-monoclinic reconstructive phase transition and suppress the transition starting at x = 0.05 for Me = Nb and x = 0.10 for Me = Ta. As a result, the Bi 2 W 1−x Nb x O 6−y samples have an orthorhombic Aurivillius-type structure up to their melting point. The Bi 2 W 1−x Ta x O 6−y solid solutions at high temperatures consist of a mixture of an orthorhombic and a monoclinic phase. Nb and Ta doping shifts the ferroelectric phase transition to lower temperatures by more than 200 °C, thus markedly extending the stability range of the nonpolar orthorhombic paraelectric phase, which exists in a temperature range as narrow as 930–960 °C in the case of undoped Bi 2 WO 6 . The increase in oxygen vacancy concentration due to heterovalent substitutions of Nb 5+ and Ta 5+ for W 6+ leads to an increase in conductivity by two orders of magnitude relative to the unsubstituted compound

Complex formation of hypoxanthine and 6-mercaptopurine with Cd(II) ion

Energy Technology Data Exchange (ETDEWEB)

Perello, L.; Borras, J.; Soto, L.; Gordo, F.J.; Gordo, J.C. (Valencia Univ. (Spain))

1984-01-01

Reaction of Cd(II) ion with hypoxanthine (H/sub 2/Y) and with 6-mercaptopurine (H/sub 2/MP) in dioxane-water (50%) leads to the formation of CdY x 2H/sub 2/O and Cd(HMP)/sub 2/ x 2H/sub 2/O, respectively. In methanolic medium Cd(II) and H/sub 2/MP give Cd(MP) x H/sub 2/O. These compounds have been characterized by chemical analysis, IR spectra and thermogravimetric analysis. The stability constant of CdY complex at 25 +- 0.1/sup 0/C and 1M ionic strength with NaClO/sub 4/ in dioxane-water medium is log..beta.. = 10.25 +- 0.05.

Lattice dynamics of cubic Cs2NaLnX6 and CsNaLn1-xLn'xX6 elpasolites

International Nuclear Information System (INIS)

Acevedo, R.; Poblete, V.; Alzamora, R.; Venegas, R.; Navarro, G.; Henriquez, C.

1999-01-01

Crystal lattice dynamics of stoichiometric Cs 2 NaLnX 6 and nonstoichiometric CsNaLn 1-x Ln' x X 6 , 0.01 ≤ x ≤ 0.10, Ln and Ln' are trivalent positive lanthanide ions and X is chlorine or bromine, were studied.. Phonon dispersion relations were computed for similar compound, Cs 2 UBr 6 , and vibronic absorption spectra with reduced number of required input parameters are considered on the basis of proposed model. (author)

The enthalpies of interactions of Ca2+(aq) and C2O{4/2-} (aq) ions in complexon solutions: Competition between complexation and precipitation

Science.gov (United States)

Kustov, A. V.; Smirnova, N. L.; Berezin, B. D.; Trostin, V. N.

2010-04-01

The thermal effects of mixing of aqueous calcium chloride with sodium citrate and ethylenedi-aminetetraacetate in the absence and presence of sodium oxalate have been measured at 25°C. The thermal effects of dilution of aqueous calcium chloride solutions were determined. The thermal effects of calcium oxalate precipitation and formation of calcium complexes with citrate and ethylenediaminetetraacetate ions were calculated. The 1% solution of sodium citrate inhibited the formation of CaC2O4 (s); in a 1% solution of sodium ethylenediaminetetraacetate with [Ca2+][C2O{4/2-}] > 10-5, the endothermal formation of the [CaEdta]2- complex quickly changed to exothermal precipitation. The 3 and 5% solutions of complexons showed a pronounced inhibiting effect on the formation of urinary stones even when the concentration of calcium and oxalate ions in solution exceeded the product of solubility of CaC2O4 by four and more orders of magnitude.

Composition-induced structural phase transitions in the (Ba1-xLax)2In2O5+x (0=<x=<0.6) system

International Nuclear Information System (INIS)

Tenailleau, C.; Pring, A.; Moussa, S.M.; Liu, Y.; Withers, R.L.; Tarantino, S.; Zhang, M.; Carpenter, M.A.

2005-01-01

Composition-induced structural phase changes across the high temperature, fast oxide ion conducting (Ba 1-x La x ) 2 In 2 O 5+x , 0= orthorhombic transition, while the cubic->tetragonal transition could be continuous. Differences between the variation with composition of spectral parameters and of macroscopic strain parameters are consistent with a substantial order/disorder component for the transitions. There is also evidence for precursor effects within the cubic structure before symmetry is broken

SOLAR-WIND ION-DRIVEN X-RAY EMISSION FROM COMETARY AND PLANETARY ATMOSPHERES: MEASUREMENTS AND THEORETICAL PREDICTIONS OF CHARGE-EXCHANGE CROSS-SECTIONS AND EMISSION SPECTRA FOR O{sup 6+} + H{sub 2}O, CO, CO{sub 2}, CH{sub 4}, N{sub 2}, NO, N{sub 2}O, AND Ar

Energy Technology Data Exchange (ETDEWEB)

Machacek, J. R. [Atomic and Molecular Physics Laboratory, Research School of Physics and Engineering, The Australian National University, Canberra 2601 (Australia); Mahapatra, D. P. [Department of Physics, Utkal University, Bhubaneswar 751004 (India); Schultz, D. R. [Department of Physics, Univ. of North Texas, Denton, TX 76203 (United States); Ralchenko, Yu. [Atomic Spectroscopy Group, National Institute of Standards and Technology, Gaithersburg, MD 20899-8422 (United States); Moradmand, A.; El Ghazaly, M. O. A.; Chutjian, A. [Astrophysics and Space Sciences Section, Jet Propulsion Laboratory/Caltech, Pasadena, CA 91109 (United States)

2015-08-10

Relevant to modeling and understanding X-ray emission from cometary and planetary atmospheres, total cross-sections for 1.17 and 2.33 keV/u O{sup 6+} colliding with H{sub 2}O, CO, CO{sub 2}, CH{sub 4}, N{sub 2}, NO, N{sub 2}O, and Ar have been measured for the processes of single, double, and triple charge exchanges. Using these measurements as benchmarks, synthetic emission spectra spanning the X-ray, UV, and visible range have been calculated based on theoretical treatment of the transfer of between one and six electrons from the target neutrals to the projectile ion, followed by radiative and non-radiative decay of the highly excited states produced in these collisions. The results help add to the base of knowledge required to simulate ion-neutral processes in astrophysical environments; refine the present understanding of these fundamental atomic processes; and guide future observations, laboratory measurements, and theoretical predictions.

Effect of swift heavy ion irradiation on structural and magnetic properties of GdFe{sub 1−x}Ni{sub x}O{sub 3} (x≤0.2) thin films

Energy Technology Data Exchange (ETDEWEB)

Kaur, Pawanpreet [Department of Physics, National Institute of Technology, Hamirpur, H.P. 177005 (India); Sharma, K.K., E-mail: kknitham@gmail.com [Department of Physics, National Institute of Technology, Hamirpur, H.P. 177005 (India); Pandit, Rabia [Department of Physics, National Institute of Technology, Hamirpur, H.P. 177005 (India); Choudhary, R.J. [UGC-DAE Consortium for Scientific Research at Indore, M.P. 452 001 (India); Kumar, Ravi [Centre for Material Science and Engineering, National Institute of Technology, Hamirpur, H.P 177005 (India)

2016-01-15

The present work reports the effect of Ni doping and 200 MeV Ag{sup 15+} ion irradiation on the structural and magnetic properties of GdFe{sub 1−x}Ni{sub x}O{sub 3} (x≤0.2) thin films grown on SrTiO{sub 3} (001) substrate by pulse laser deposition (PLD). From the XRD patterns ‘c-axis’ oriented growth in the pristine films is noticed, whereas after irradiation amorphization in the films is noticed. The atomic force microscopic (AFM) images reveal the increase in surface roughness with doping and irradiation as well. The irreversibility in the zero field cooled and field cooled magnetic curves indicates to the possibility of magnetic disorder in all the pristine as well as irradiated samples. Magnetization has been found to decrease with increasing Ni{sup 3+} ion substitution at room temperature whereas an enhancement in magnetization is noticed after ion irradiation for all the films. The disparity in the magnetic properties of pristine GdFe{sub 1−x}Ni{sub x}O{sub 3} (0.0≤x≤0.2) orthoferrites thin films can be correlated to the difference in hybridization in transition metal ion and O{sup 2−} ion orbitals. However, presence of strains caused by the columnar defects is responsible for the change in structural, morphological and magnetic properties in the irradiated samples. - Highlights: • ‘c-axis’ oriented GdFe{sub 1−x}Ni{sub x}O{sub 3} (x≤0.2) thin films grown on SrTiO{sub 3} substrate. • Thin films have been irradiated by 200 MeV Ag{sup 15+} ions. • Presence of columnar defects have been estimated using SRIM. • Magnetic disorder in all the film samples have been seen at lower temperatures. • Structural and magnetic characteristics altered with doping and ion irradiation.

The solubility and site preference of Fe3+ in Li7-3xFexLa3Zr2O12 garnets

Science.gov (United States)

Rettenwander, D.; Geiger, C. A.; Tribus, M.; Tropper, P.; Wagner, R.; Tippelt, G.; Lottermoser, W.; Amthauer, G.

2015-10-01

A series of Fe3+-bearing Li7La3Zr2O12 (LLZO) garnets was synthesized using solid-state synthesis methods. The synthetic products were characterized compositionally using electron microprobe analysis and inductively coupled plasma optical emission spectroscopy (ICP-OES) and structurally using X-ray powder diffraction and 57Fe Mössbauer spectroscopy. A maximum of about 0.25 Fe3+ pfu could be incorporated in Li7-3xFexLa3Zr2O12 garnet solid solutions. At Fe3+ concentrations lower than about 0.16 pfu, both tetragonal and cubic garnets were obtained in the synthesis experiments. X-ray powder diffraction analysis showed only a garnet phase for syntheses with starting materials having intended Fe3+ contents lower than 0.52 Fe3+ pfu. Back-scattered electron images made with an electron microprobe also showed no phase other than garnet for these compositions. The lattice parameter, a0, for all solid-solution garnets is similar with a value of a0≈12.98 Å regardless of the amount of Fe3+. 57Fe Mössbauer spectroscopic measurements indicate the presence of poorly- or nano-crystalline FeLaO3 in syntheses with Fe3+ contents greater than 0.16 Fe3+ pfu. The composition of different phase pure Li7-3xFexLa3Zr2O12 garnets, as determined by electron microprobe (Fe, La, Zr) and ICP-OES (Li) measurements, give Li6.89Fe0.03La3.05Zr2.01O12, Li6.66Fe0.06La3.06Zr2.01O12, Li6.54Fe0.12La3.01Zr1.98O12, and Li6.19Fe0.19La3.02Zr2.04O12. The 57Fe Mössbauer spectrum of cubic Li6.54Fe0.12La3.01Zr1.98O12 garnet indicates that most Fe3+ occurs at the special crystallographic 24d position, which is the standard tetrahedrally coordinated site in garnet. Fe3+ in smaller amounts occurs at a general 96h site, which is only present for certain Li-oxide garnets, and in Li6.54Fe0.12La3.01Zr1.98O12 this Fe3+ has a distorted 4-fold coordination.

NaLaTi_2O_6 nanosheet as a potential anode material for lithium ion batteries

International Nuclear Information System (INIS)

Geng, Qiao; Cao, Liyun; Kong, Xingang; Xu, Zhanwei; Huang, Jianfeng; Li, Jiayin; Cheng, Yayi

2016-01-01

Highlights: • NaLaTi_2O_6 nanosheet was achieved by a simple one-step hydrothermal method. • NaLaTi_2O_6 was reported for the first time as an anode material. • NaLaTi_2O_6 shown a high discharge capacity of about 180 mAh/g at 100 mA/g. - Abstract: NaLaTi_2O_6 nanosheet was achieved by one-step hydrothermal method and was reported for the first time as an anode material for lithium ion batteries. The phase structure and morphology analysis reveals that pure pervoskite NaLaTi_2O_6 possesses nanosheet morphology with thickness of about 20 nm and length of several hundred nanometers. The electrochemical performances demonstrate that NaLaTi_2O_6 has a good lithium ion insertion/extraction ability with a discharge capacity of about 180 mAh/g, which is slightly larger than Li_4Ti_5O_1_2 theoretical capacity (175 mAh/g). Even more, after 1000 charge-discharge cycles at 100 mA/g, it still maintains a discharge capacity of 165 mAh/g, suggesting that NaLaTi_2O_6 could be explored as a potential anode material for lithium ion batteries.

Discovery of the 198 s X-Ray Pulsar GRO J2058+42

Science.gov (United States)

Wilson, Colleen A.; Finger, Mark H.; Harmon, B. Alan; Chakrabarty, Deepto; Strohmayer, Tod

1997-01-01

GRO J2058+42, a transient 198 second x-ray pulsar, was discovered by the Burst and Transient Source Experiment (BATSE) on the Compton Gamma-Ray Observatory (CGRO), during a "giant" outburst in 1995 September-October. The total flux peaked at about 300 mCrab (20-50 keV) as measured by Earth occultation. The pulse period decreased from 198 s to 196 s during the 46-day outburst. The pulse shape evolved over the course of the outburst and exhibited energy dependent variations. BATSE observed five additional weak outbursts from GRO J2058+427 each with two week duration and peak pulsed flux of about 15 mcrab (20-50 keV), that were spaced by about 110 days. An observation of the 1996 November outburst by the Rossi X-ray Timing Explorer (RXTE) Proportional Counter Array (PCA) localized the source to within a 4' radius error circle (90% confidence) centered on R.A. = 20 h 59 m.0, Decl. = 41 deg 43 min (J2000). Additional shorter outbursts with peak pulsed fluxes of about 8 mCrab were detected by BATSE halfway between the first four 15 mCrab outbursts. The RXTE All-Sky Monitor detected 8 weak outbursts with approximately equal durations and intensities. GRO J2058+42 is most likely a Be/X-ray binary that appears to outburst at periastron and apastron. No optical counterpart has been identified to date and no x-ray source was present in the error circle in archival ROSAT observations.

Discovery of the 198 Second X-Ray Pulsar GRO J2058+42

Science.gov (United States)

Wilson, Colleen A.; Finger, Mark H.; Harmon, B. Alan; Chakrabarty, Deepto; Strohmayer, Tod

1998-01-01

GRO J2058+42, a transient 198 s X-ray pulsar, was discovered by the Burst and Transient Source Experiment (BATSE) on the Compton Gamma Ray Observatory (CGRO) during a "giant" outburst in 1995 September-October. The total flux peaked at about 300 mcrab (20-50 keV) as measured by Earth occultation. The pulse period decreased from 198 to 196 s during the 46 day outburst. The pulse shape evolved over the course of the outburst and exhibited energy-dependent variations. BATSE observed five additional weak outbursts from GRO J2058 + 42, each with a 2 week duration and a peak-pulsed flux of about 15 mcrab (20-50 keV), that were spaced by about 110 days. An observation of the 1996 November outburst by the Rossi X-Ray Timing Explorer (RXTE) proportional counter array (PCA) localized the source to within a 4 s radius error circle (90% confidence) centered on R.A. = 20h 59m.0, decl. = 41 deg 43 s (J2000). Additional shorter outbursts with peak-pulsed fluxes of about 8 mcrab were detected by BATSE halfway between the first four 15 mcrab outbursts. The RXTE All-Sky Monitor detected all eight weak outbursts with approximately equal durations and intensities. GRO J2058 + 42 is most likely a Be/X-ray binary that appears to outburst at periastron and apastron, No optical counterpart has been identified to date, and no X-ray source was present in the error circle in archival ROSAT observations.

Thermodynamics and Efficiency of a CuCl(aq)/HCl(aq) Electrolyzer

International Nuclear Information System (INIS)

Hall, Derek M.; Akinfiev, Nikolay N.; LaRow, Eric G.; Schatz, Richard S.; Lvov, Serguei N.

2014-01-01

The high ionic strength and complex speciation of the anolyte solution within the CuCl(aq)/HCl(aq) electrolytic cell have impeded predictions of the energy requirements for the cell's electrolytic reaction at 25 °C and 1 bar. After collecting experimental open circuit potential (OCP) data and comparing the values obtained with predictions from prospective thermodynamic models, an approach to predict thermodynamic values and the overall efficiency was formulated. The compositions of the experimental measurements ranged from 2-2.5 mol of CuCl(aq) with 8-9 mol of HCl(aq) per kilogram of water in anolyte solution and 8-9 mol of HCl(aq) per kilogram of water in catholyte solution. From the OCP data, it was found that activity coefficient and speciation effects were critical in predicting the Gibbs energy, entropy and thermodynamic (intrinsic maximum) efficiency of the electrolytic cell. At equilibrium, all thermodynamic functions of the anolyte redox reactions were the same after activity coefficients and speciation effects were taken into account. The electrochemical reactions’ Gibbs energy and entropy were found to be 9700 J/mol and 2.18 J/(mol K) at 25 °C and 1 bar, which indicated that the reactions required a small amount of electrical and thermal energy to proceed. With thermodynamic values for the electrolytic reaction and experimental data from a CuCl(aq)/HCl(aq) electrolytic cell, the voltage, current, thermodynamic and overall efficiency were calculated. The overall efficiency ranged from 15 to 95% depending on the current density

Negative ion photoelectron spectroscopy of SeO-

International Nuclear Information System (INIS)

Coe, J.V.; Snodgrass, J.T.; Freidhoff, C.B.; McHugh, K.M.; Bowen, K.H.

1985-01-01

Negative ion photoelectron spectroscopy (NIPES) involves a kinetic energy analysis of electrons which are photodetached when a mass selected beam of negative ions is crossed with a fixed frequency laser beam. The photodetachment spectra of SeO - displays transitions from the X 2 PI state of SeO - to both the X 3 Σ - and a 1 Δ states of SeO. The singlet-triplet splitting of SeO is readily observable since selection rules regarding spin do not apply in the bound to free state process of photodetachment. The electron affinity of SeO and the negative ion potential parameters of SeO - have been determined

Properties of half metallic (Ba0.8Sr0.2)2-x La2x/3x/3FeMoO6 double perovskites

International Nuclear Information System (INIS)

Serrate, D.; De Teresa, J.M.; Blasco, J.; Morellon, L.; Ibarra, M.R.

2005-01-01

Previous work in (Ba 0.8 Sr 0.2 ) 2- x La x FeMoO 6 and Ba 1+ x Sr 1-3 x La 2 x FeMoO 6 have stated electron doping as the most important parameter in terms of T c enhancement. Here we report complementary structural, magnetic and transport properties, say a series where there is no doping and only structural parameters are changed: (Ba 0.8 Sr 0.2 ) 2- x La 2 x /3 x /3 FeMoO 6 . We propose a complete phase diagram where structural and bandfilling impact on the Curie temperature is clearly evidenced

Magnetothermopower in A2−xLaxFeMoO6 (A = Sr, Ba

Directory of Open Access Journals (Sweden)

G. V. M. Williams

2017-01-01

Full Text Available A magnetothermopower has been observed in electronically spin-polarized polycrystalline Sr2-xLaxFeMoO6 and Ba2FeMoO6. The magnetothermopower is linear up to ~50 K for Sr2-xLaxFeMoO6 and linear up to ~270 K for Ba2FeMoO6. We suggest that the magnetothermopower may arise from a spin-tunneling magnetothermopower between the grains.

Cluster-enhanced X-O-2 photochemistry (X=CH3I, C3H6, C6H12, and Xe)

NARCIS (Netherlands)

Baklanov, A.V.; Bogdanchikov, G.A.; Vidma, K.V.; Chestakov, D.A.; Parker, D.H.

2007-01-01

The effect of a local environment on the photodissociation of molecular oxygen is investigated in the van der Waals complex X-O-2 (X=CH3I, C3H6, C6H12, and Xe). A single laser operating at wavelengths around 226 nm is used for both photodissociation of the van der Waals complex and simultaneous

AQS Data Mart

Data.gov (United States)

U.S. Environmental Protection Agency — The AQS Data Mart is a database that contains all of the information from the AQS system. It is a storehouse of air quality information that allows users to make...

Surface modification of LiNbO3 and KTa1-xNbxO3 crystals irradiated by intense pulsed ion beam

Science.gov (United States)

Cui, Xiaojun; Shen, Jie; Zhong, Haowen; Zhang, Jie; Yu, Xiao; Liang, Guoying; Qu, Miao; Yan, Sha; Zhang, Xiaofu; Le, Xiaoyun

2017-10-01

In this work, we studied the surface modification of LiNbO3 and KTa1-xNbxO3 irradiated by intense pulsed ion beam, which was mainly composed of H+ (70%) and Cn+ (30%) at an acceleration voltage of about 450 kV. The surface morphologies, microstructural evolution and elemental analysis of the sample surfaces after IPIB irradiation have been analyzed by scanning electron microscope, atomic force microscope, X-ray diffraction and energy dispersive spectrometer techniques, respectively. The results show that the surface morphologies have significant difference impacted by the irradiation effect. Regular gully damages range from 200 to 400 nm in depth appeared in LiNbO3 under 2 J/cm2 energy density for 1 pulse, block cracking appeared in KTa1-xNbxO3 at the same condition. Surface of the crystals have melted and were darkened with the increasing number up to 5 pulses. Crystal lattice arrangement is believed to be the dominant reason for the different experimental results irradiated by intense pulsed ion beam.

Robust Strategy for Crafting Li5Cr7Ti6O25@CeO2 Composites as High-Performance Anode Material for Lithium-Ion Battery.

Science.gov (United States)

Mei, Jie; Yi, Ting-Feng; Li, Xin-Yuan; Zhu, Yan-Rong; Xie, Ying; Zhang, Chao-Feng

2017-07-19

A facile strategy was developed to prepare Li 5 Cr 7 Ti 6 O 25 @CeO 2 composites as a high-performance anode material. X-ray diffraction (XRD) and Rietveld refinement results show that the CeO 2 coating does not alter the structure of Li 5 Cr 7 Ti 6 O 25 but increases the lattice parameter. Scanning electron microscopy (SEM) indicates that all samples have similar morphologies with a homogeneous particle distribution in the range of 100-500 nm. Energy-dispersive spectroscopy (EDS) mapping and high-resolution transmission electron microscopy (HRTEM) prove that CeO 2 layer successfully formed a coating layer on a surface of Li 5 Cr 7 Ti 6 O 25 particles and supplied a good conductive connection between the Li 5 Cr 7 Ti 6 O 25 particles. The electrochemical characterization reveals that Li 5 Cr 7 Ti 6 O 25 @CeO 2 (3 wt %) electrode shows the highest reversibility of the insertion and deinsertion behavior of Li ion, the smallest electrochemical polarization, the best lithium-ion mobility among all electrodes, and a better electrochemical activity than the pristine one. Therefore, Li 5 Cr 7 Ti 6 O 25 @CeO 2 (3 wt %) electrode indicates the highest delithiation and lithiation capacities at each rate. At 5 C charge-discharge rate, the pristine Li 5 Cr 7 Ti 6 O 25 only delivers an initial delithiation capacity of ∼94.7 mAh g -1 , and the delithiation capacity merely achieves 87.4 mAh g -1 even after 100 cycles. However, Li 5 Cr 7 Ti 6 O 25 @CeO 2 (3 wt %) delivers an initial delithiation capacity of 107.5 mAh·g -1 , and the delithiation capacity also reaches 100.5 mAh g -1 even after 100 cycles. The cerium dioxide modification is a direct and efficient approach to improve the delithiation and lithiation capacities and cycle property of Li 5 Cr 7 Ti 6 O 25 at large current densities.

Synthesis and electrospinning carboxymethyl cellulose lithium (CMC-Li) modified 9,10-anthraquinone (AQ) high-rate lithium-ion battery.

Science.gov (United States)

Qiu, Lei; Shao, Ziqiang; Liu, Minglong; Wang, Jianquan; Li, Pengfa; Zhao, Ming

2014-02-15

New cellulose derivative CMC-Li was synthesized, and nanometer CMC-Li fiber was applied to lithium-ion battery and coated with AQ by electrospinning. Under the protection of inert gas, modified AQ/carbon nanofibers (CNF)/Li nanometer composite material was obtained by carbonization in 280 °C as lithium battery anode materials for the first time. The morphologies and structures performance of materials were characterized by using IR, (1)H NMR, SEM, CV and EIS, respectively. Specific capacity was increased from 197 to 226.4 mAhg(-1) after modification for the first discharge at the rate of 2C. Irreversible reduction reaction peaks of modified material appeared between 1.5 and 1.7 V and the lowest oxidation reduction peak of the difference were 0.42 V, the polarization was weaker. Performance of cell with CMC-Li with the high degree of substitution (DS) was superior to that with low DS. Cellulose materials were applied to lithium battery to improve battery performance by electrospinning. Copyright © 2013 Elsevier Ltd. All rights reserved.

Deliverable 2 (SustainAQ)

NARCIS (Netherlands)

Schneider, O.; Julian, B.; Bosman, R.; Eding, E.

2009-01-01

The European Project SustainAQ (Framework 6) aims to identify the limiting factors for the sustainable production of aquatic origin food in Eastern Europe. It focuses on the possible use of Recirculation Aquaculture Systems (RAS) as sustainable method for the production of aquatic animals as

Responses of a soil bacterium, Pseudomonas chlororaphis O6 to commercial metal oxide nanoparticles compared with responses to metal ions

Energy Technology Data Exchange (ETDEWEB)

Dimkpa, Christian O., E-mail: cdimkpa@usu.edu [Department of Biological Engineering, Utah State University, Logan, UT 84322 (United States); Calder, Alyssa; Britt, David W. [Department of Biological Engineering, Utah State University, Logan, UT 84322 (United States); McLean, Joan E. [Utah Water Research Laboratory, Utah State University, Logan, UT 84322 (United States); Anderson, Anne J. [Department of Biology, Utah State University, Logan, UT 84322 (United States)

2011-07-15

The toxicity of commercially-available CuO and ZnO nanoparticles (NPs) to pathogenic bacteria was compared for a beneficial rhizosphere isolate, Pseudomonas chlororaphis O6. The NPs aggregated, released ions to different extents under the conditions used for bacterial exposure, and associated with bacterial cell surface. Bacterial surface charge was neutralized by NPs, dependent on pH. The CuO NPs were more toxic than the ZnO NPs. The negative surface charge on colloids of extracellular polymeric substances (EPS) was reduced by Cu ions but not by CuO NPs; the EPS protected cells from CuO NPs-toxicity. CuO NPs-toxicity was eliminated by a Cu ion chelator, suggesting that ion release was involved. Neither NPs released alkaline phosphatase from the cells' periplasm, indicating minimal outer membrane damage. Accumulation of intracellular reactive oxygen species was correlated with CuO NPs lethality. Environmental deposition of NPs could create niches for ion release, with impacts on susceptible soil microbes. - Highlights: > Toxicity of metallic nanoparticles (NPs) was evaluated in a beneficial bacterium, Pseudomonas chlororaphis O6 (PcO6). > Aggregated commercial CuO and ZnO NPs released Cu and Zn ions and changed bacterial surface charge, depending on pH. > The NPs were toxic to PcO6 through NP-specific, but also ion release mechanisms. > Reactive oxygen species were produced by CuO NP and Cu ion at lethal concentrations, but bacterial EPS protected against Cu. > The periplasmic marker, alkaline phosphate, activity was increased by the NPs and ions. - Aggregated CuO and ZnO nanoparticles release ions and cause different toxicities in a beneficial soil bacterium.

Responses of a soil bacterium, Pseudomonas chlororaphis O6 to commercial metal oxide nanoparticles compared with responses to metal ions

International Nuclear Information System (INIS)

Dimkpa, Christian O.; Calder, Alyssa; Britt, David W.; McLean, Joan E.; Anderson, Anne J.

2011-01-01

The toxicity of commercially-available CuO and ZnO nanoparticles (NPs) to pathogenic bacteria was compared for a beneficial rhizosphere isolate, Pseudomonas chlororaphis O6. The NPs aggregated, released ions to different extents under the conditions used for bacterial exposure, and associated with bacterial cell surface. Bacterial surface charge was neutralized by NPs, dependent on pH. The CuO NPs were more toxic than the ZnO NPs. The negative surface charge on colloids of extracellular polymeric substances (EPS) was reduced by Cu ions but not by CuO NPs; the EPS protected cells from CuO NPs-toxicity. CuO NPs-toxicity was eliminated by a Cu ion chelator, suggesting that ion release was involved. Neither NPs released alkaline phosphatase from the cells' periplasm, indicating minimal outer membrane damage. Accumulation of intracellular reactive oxygen species was correlated with CuO NPs lethality. Environmental deposition of NPs could create niches for ion release, with impacts on susceptible soil microbes. - Highlights: → Toxicity of metallic nanoparticles (NPs) was evaluated in a beneficial bacterium, Pseudomonas chlororaphis O6 (PcO6). → Aggregated commercial CuO and ZnO NPs released Cu and Zn ions and changed bacterial surface charge, depending on pH. → The NPs were toxic to PcO6 through NP-specific, but also ion release mechanisms. → Reactive oxygen species were produced by CuO NP and Cu ion at lethal concentrations, but bacterial EPS protected against Cu. → The periplasmic marker, alkaline phosphate, activity was increased by the NPs and ions. - Aggregated CuO and ZnO nanoparticles release ions and cause different toxicities in a beneficial soil bacterium.

Quantum chemical study, spectroscopic investigations, NBO and HOMO-LUMO analyses of 3-aminoquinoline (3AQ) and [Ag(3AQ)2(TCA)] complex (TCA = Trichloroacetate)

Science.gov (United States)

Soliman, Saied M.; Kassem, Taher S.; Badr, Ahmed M. A.; Abu Youssef, Morsy A.; Assem, Rania

2014-09-01

The new [Ag(3AQ)2(TCA)]; (3AQ = 3-aminoquinoline and TCA = Trichloroacetate) complex is synthesized and characterized using elemental analysis, FTIR, NMR and mass spectroscopy. The molecular geometry, vibrational frequencies, gauge-including atomic orbital (GIAO) 1H chemical shift values of the free and coordinated 3AQ in the ground state have been calculated by using DFT/B3LYP method. The TD-DFT results of the [Ag(3AQ)2(TCA)] complex showed a π-π* transition band at 240.3-242.6 nm (f = 0.1334-0.1348) which has longer wavelength and lower absorption intensity than that for the free 3AQ (233.2 nm, f = 0.3958). Dipole moment, polarizability and HOMO-LUMO gap values predicted better nonlinear optical properties (NLO) for the [Ag(3AQ)2(TCA)] than the 3AQ ligand. NBO analysis has been used to predict the most accurate Lewis structure of the studied molecules. The energies of the different intramolecular charge transfer (ICT) interactions within the studied molecules were estimated using second order perturbation theory.

Photoionisation of O6+ below the n=3 threshold of the reduced ion

International Nuclear Information System (INIS)

Faye, N.A.B.; Wague, A.

1994-01-01

Near the n=3 threshold of residual ion O 7+ , the resonant photoionization of the multicharged ion O 6+ is considered by calculating the excitation energies, associated wave-functions, partial and total widths of the 1 P (-) and 3 P (-) autoionizing states. These calculations are made in the diagonalization approximation in the LS coupling scheme. The results are compared with the available theoretical results obtained by authors using other theoretical approaches. (author). 16 refs, 5 tabs

Accurate solid solution range of BiMnxFe3-xO6 and low temperature magnetism

Science.gov (United States)

Jiang, Pengfei; Yue, Mufei; Cong, Rihong; Gao, Wenliang; Yang, Tao

2017-11-01

BiMnxFe3-xO6 (x = 1) represents a new type of oxide structure containing Bi3+ and competing magnetic super-exchanges. In literature, multiple magnetic states were realized at low temperatures in BiMnFe2O6, and the hypothetical parent compounds (BiMn3O6, BiFe3O6) were predicted to be different in magnetism. Herein, we performed a careful study on the syntheses of BiMnxFe3-xO6 at ambient pressure, and the solid solution range was determined to be 0.9 ≤ x ≤ 1.3 by Rietveld refinements on high-quality powder X-ray diffraction data. Due to the very similar cationic size of Mn3+ and Fe3+, and possibly the structural rigidity, there was no significant structure change in the whole range of solid solution. The magnetic behavior of BiMnxFe3-xO6 (x = 1.2, 1.22, 1.26, 1.28 and 1.3) was generally similar to BiMnFe2O6, while the relative higher concentration of Mn3+ led to the decreasing of the antiferromagnetic ordering temperature.

Controlled phase stability of highly Na-active triclinic structure in nanoscale high-voltage Na2-2xCo1+xP2O7 cathode for Na-ion batteries

Science.gov (United States)

Song, Hee Jo; Kim, Jae-Chan; Dar, Mushtaq Ahmad; Kim, Dong-Wan

2018-02-01

With the increasing demand for high energy density in energy-storage systems, a high-voltage cathode is essential in rechargeable Li-ion and Na-ion batteries. The operating voltage of a triclinic-polymorph Na2CoP2O7, also known as the rose form, is above 4.0 V (vs. Na/Na+), which is relatively high compared to that of other cathode materials. Thus, it can be employed as a potential high-voltage cathode material in Na-ion batteries. However, it is difficult to synthesize a pure rose phase because of its low phase stability, thus limiting its use in high-voltage applications. Herein, compositional-engineered, rose-phase Na2-2xCo1+xP2O7/C (x = 0, 0.1 and 0.2) nanopowder are prepared using a wet-chemical method. The Na2-2xCo1+xP2O7/C cathode shows high electrochemical reactivity with Na ions at 4.0 V, delivering high capacity and high energy density.

A comparison of soda and soda-AQ pulps from cotton stalks | Akgül ...

African Journals Online (AJOL)

In this study, cotton stalks (Gossypium hirsutum L.) were cooked using soda and soda-anthraquinone (AQ) process. Nine soda cooks were conducted by changing cooking conditions including active alkali charge and pulping time. Soda-AQ cooks were obtained by adding 0.075, 0.10, 0.15, 0.2% AQ (based on o.d stalks) to ...

Anthraquinone-2-sulfonic acid (AQ2S) is A Novel Neurotherapeutic Agent

Science.gov (United States)

Jackson, T C; Verrier, J D; Kochanek, P M

2013-01-01

Anthraquinone derivatives such as emodin have recently been shown to protect in models of beta amyloid β (Aβ) and tau aggregation-induced cell death. The mechanisms of action possibly involve preconditioning effects, anti-aggregation properties, and/or enhancing the phosphatidylinositol-3-kinase (PI3K)/AKT survival mechanism. We studied several natural (emodin, rhein, and aloin) and synthetic (AQ2S) anthraquinones, to screen for post-treatment therapeutic benefit in two models of neuronal death, namely hydrogen peroxide (H2O2) and staurosporine (STS)-induced injury. Treatment with emodin, rhein, or aloin failed to reduce H2O2 injury. Moreover, consistent with emodin behaving like a mild toxin, it exacerbated oxidative injury at the highest concentration used (50 μM) in our post-treatment paradigm, and potently inhibited AKT. In contrast, AQ2S was neuroprotective. It reduced H2O2 injury at 50 and 75 μM. In addition, AQ2S potently inhibited staurosporine (STS)-induced injury. The mechanisms of action involve caspase inhibition and AKT activation. However, blockade of AKT signaling with LY294002 failed to abolish AQ2S-mediated protection on the STS assay. This is the first study to report that AQ2S is a new neuroprotective compound and a novel caspase inhibitor. PMID:23303125

Synthesis of silicated hydroxyapatite Ca10(PO4)6-x(SiO4)x(OH)2-x

International Nuclear Information System (INIS)

Palard, Mickael; Champion, Eric; Foucaud, Sylvie

2008-01-01

The preparation of silicated hydroxyapatite Ca 10 (PO 4 ) 6-x (SiO 4 ) x (OH) 2-x (SiHA) with 0≤x≤2 was investigated using a wet precipitation method followed by a heat treatment. X-ray diffraction and Rietveld refinement, Fourier transformed IR (FTIR) spectroscopy, elemental analyses, transmission electron microscopy and thermal analyses were used to characterize the samples. The raw materials were composed of a partially silicated and carbonated apatite and a secondary minor phase containing the excess silicon. Single phase silicated hydroxyapatites, with 0≤x≤1, could be synthesized after a thermal treatment of the raw powders above 700 deg. C. The presence of carbonate groups in the raw apatite played an important role in the incorporation of silicates during heating. From the different results, the mechanisms of formation of SiHA are discussed. - Graphical abstract: The preparation of pure silicated hydroxyapatite Ca 10 (PO 4 ) 6-x (SiO 4 ) x (OH) 2-x powders with controlled silicon content was investigated. The synthesis route included a precipitation in aqueous media. It required an additional high temperature solid-state reaction to fully incorporate the silicon into the apatite crystals

K1-xMn1+x/2[Fe(CN)6]·yH2O Prussian blue analogues as an anode material for lithium-ion batteries

Science.gov (United States)

Zhou, Feng-Chen; Sun, Yan-Hui; Li, Jie-Qiong; Nan, Jun-Min

2018-06-01

Hexacyanoferrate, KMn[Fe(CN)6]·yH2O (KMnHCF), a Prussian blue analogue (PBA), is synthesized by a solution precipitation method under alkaline condition at room temperature. After treated with diluted hydrochloride acid, the KMnHCF is turned into Mn3[Fe(CN)6]2·yH2O (MnHCF). Then both synthesized KMnHCF and MnHCF are applied as anode material for lithium ion batteries (LIBs). The KMnHCF anode exhibits a super electrochemical performance than MnHCF. It shows a very low discharge voltage plateau of 0.6 V, an initial capacity of 777 mAh g-1, and a reversible capacity of 434 mAh g-1 after 50 cycles at a current density of 50 mA g-1. Furthermore, it keeps 425 mAh g-1 after 100 cycles at 100 mA g-1 and 215 mAh g-1 after 200 cycles even at 500 mA g-1. It is remarkable that the coulombic efficiency can be maintained larger than 98.4% from the 5th cycle at 50 mA g-1, 99.2% at 100 mA g-1, and 96.8% even at 500 mA g-1. In addition, the original structure of the KMnHCF has no obvious change after lithiation/de-lithiation based on the ex-situ X-ray powder diffraction (XRD) and Fourier transform infrared spectrometer (FT-IR) characterization, indicating large channels and interstitial sites in the open-framework can allow rapid insertion and extraction of Li+ and constrain volume expansion during charge/discharge process.

Organic-inorganic hybrid supramolecular assemblies based on isomers [H{sub x}As{sub 2}Mo{sub 6}O{sub 26}]{sup (6-x)-} clusters

Energy Technology Data Exchange (ETDEWEB)

Zhao, Zhi-Feng [College of Material Science and Engineering, Heilongjiang University of Science and Technology, Harbin (China); Su, Zhan-Hua; Cong, Bo-Wen; Zhao, Wen-Qi; Ma, Xiu-Juan [School of Chemistry and Chemical Engineering, Harbin Normal University, Harbin (China)

2017-08-16

The arsenomolybdates [H{sub 2}As{sub 2}Mo{sub 6}O{sub 26}(H{sub 2}O)].(H{sub 2}biyb){sub 2}.2H{sub 2}O (1) and [H{sub 3}As{sub 2}Mo{sub 6}O{sub 26}].(H{sub 3}pt){sub 2} (2) [biyb = 1,4-bis(imidazol-1-ylmethyl)benzene, pt = 4'-(3{sup ''}-pyridyl)-2,3':6'3{sup ''}-terpyridine] were synthesized via hydrothermal method. The structures of the compounds were characterized by single-crystal X-ray diffraction analyses, elemental analyses, IR spectroscopy, and TG analysis. Compounds 1 and 2 exhibit two isomeric forms of [H{sub x}As{sub 2}Mo{sub 6}O{sub 26}]{sup (6-x)-}. The structure of 1 is constructed from the B-type [H{sub 2}As{sub 2}Mo{sub 6}O{sub 26}(H{sub 2}O)]{sup 4-} polyanions and free biyb ligands via weak interactions to form 3D supramolecular framework with a {3.4.5"3.6}{3.4"3.5"2}{3.5.6}{sup 2}{3.5"2}{sup 2} topology structure. In compound 2, the A-type [H{sub 3}As{sub 2}Mo{sub 6}O{sub 26}]{sup 3-} clusters are surrounded by pt ligands through hydrogen bond interactions forming 3D supramolecular framework with a {4"3.6"3}{sup 2}{4"6.6"6.8"3} topology structure. The electrochemical behaviors, electrocatalytic and photocatalytic activities of 1 and 2 are detected. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Energy Technology Data Exchange (ETDEWEB)

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

2005-07-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-05-15

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

Apparent molar volumes and apparent molar heat capacities of Pr(NO{sub 3}){sub 3}(aq), Gd(NO{sub 3}){sub 3}(aq), Ho(NO{sub 3}){sub 3}(aq), and Y(NO{sub 3}){sub 3}(aq) at T (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa

Energy Technology Data Exchange (ETDEWEB)

Hakin, Andrew W. [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada)]. E-mail: hakin@uleth.ca; Liu Jinlian [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada); Erickson, Kristy [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada); Munoz, Julie-Vanessa [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada); Rard, Joseph A. [Energy and Environment Directorate, Lawrence Livermore National Laboratory, University of California, Livermore, CA 94550 (United States)

2005-02-01

Relative densities and relative massic heat capacities have been measured for acidified solutions of Y(NO{sub 3}){sub 3}(aq), Pr(NO{sub 3}){sub 3}(aq), and Gd(NO{sub 3}){sub 3}(aq) at T = (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa. In addition, relative densities and massic heat capacities have been measured at the same temperatures and pressure for Y(NO{sub 3}){sub 3}(aq) and Ho(NO{sub 3}){sub 3}(aq) solutions without excess acid (n.b. measurements at T = 328.15 K for Ho(NO{sub 3}){sub 3}(aq) were not performed due to the limited volume of solution available). Apparent molar volumes and apparent molar heat capacities for the aqueous salt solutions have been calculated from the experimental apparent molar properties of the acidified solutions using Young's rule, whereas the apparent molar properties of the solutions without excess acid were calculated directly from the measured densities and massic heat capacities. The two sets of data for the Y(NO{sub 3}){sub 3}(aq) systems provide a check of the internal consistency of the Young's rule approach we have utilised. The concentration dependences of the apparent molar volumes and heat capacities of the aqueous salt solutions have been modelled at each investigated temperature using the Pitzer ion interaction equations to yield apparent molar properties at infinite dilution. Complex formation within the aqueous rare earth nitrate systems is discussed qualitatively by probing the concentration dependence of apparent molar volumes and heat capacities. In spite of the complex formation in the aqueous rare earth nitrate systems, there is a high degree of self-consistency between the apparent molar volumes and heat capacities at infinite dilution reported in this manuscript and those previously reported for aqueous rare earth perchlorates.

Highly Durable Na2V6O16·1.63H2O Nanowire Cathode for Aqueous Zinc-Ion Battery.

Science.gov (United States)

Hu, Ping; Zhu, Ting; Wang, Xuanpeng; Wei, Xiujuan; Yan, Mengyu; Li, Jiantao; Luo, Wen; Yang, Wei; Zhang, Wencui; Zhou, Liang; Zhou, Zhiqiang; Mai, Liqiang

2018-03-14

Rechargeable aqueous zinc-ion batteries are highly desirable for grid-scale applications due to their low cost and high safety; however, the poor cycling stability hinders their widespread application. Herein, a highly durable zinc-ion battery system with a Na 2 V 6 O 16 ·1.63H 2 O nanowire cathode and an aqueous Zn(CF 3 SO 3 ) 2 electrolyte has been developed. The Na 2 V 6 O 16 ·1.63H 2 O nanowires deliver a high specific capacity of 352 mAh g -1 at 50 mA g -1 and exhibit a capacity retention of 90% over 6000 cycles at 5000 mA g -1 , which represents the best cycling performance compared with all previous reports. In contrast, the NaV 3 O 8 nanowires maintain only 17% of the initial capacity after 4000 cycles at 5000 mA g -1 . A single-nanowire-based zinc-ion battery is assembled, which reveals the intrinsic Zn 2+ storage mechanism at nanoscale. The remarkable electrochemical performance especially the long-term cycling stability makes Na 2 V 6 O 16 ·1.63H 2 O a promising cathode for a low-cost and safe aqueous zinc-ion battery.

Study of TiO2(1 1 0)-p(1x1), p(1x2) and p(1x3) surface structures by impact collision ion scattering spectroscopy (ICISS)

International Nuclear Information System (INIS)

Asari, E.; Souda, R.

2000-01-01

The surface structure of TiO 2 (1 1 0)-p(1x1), p(1x2) and p(1x3) were studied using impact collision ion scattering spectroscopy (ICISS). We found that (i) the height of bridging oxygen for the p(1x1) is comparative to that of bulk structure, (ii) the p(1x2) surface has the added Ti 2 O 3 unit rows proposed by Onishi et al. and also the oxygen atoms rows between Ti 2 O 3 unit rows and (iii) the p(1x3) surface is constructed with the same added Ti 2 O 3 unit rows as that in the p(1x2) surface, but the bridging oxygen rows exist between the Ti 2 O 3 unit rows

Optimized effective potential model for the double perovskites Sr2 - xYxVMoO6 and Sr2 - xYxVTcO6

Science.gov (United States)

Solovyev, I. V.

2011-08-01

In an attempt to explore half-metallic properties of the double perovskites Sr2 - xYxVMoO6 and Sr2 - xYxVTcO6, we construct an effective low-energy model, which describes the behavior of the t2g states of these compounds. All parameters of such a model are derived rigorously on the basis of first-principles electronic structure calculations. In order to solve this model, we employ the optimized effective potential method and treat the correlation interactions in the random phase approximation. Although correlation interactions considerably reduce the intraatomic exchange splitting in comparison with the Hartree-Fock approach, this splitting still substantially exceeds the typical values obtained in the local-spin-density approximation (LSDA), which alters many predictions based on the LSDA. Our main results are summarized as follows. (i) All ferromagnetic states are expected to be half-metallic. However, their energies are generally higher than those of the ferrimagnetic ordering between V and Mo/Tc sites (except Sr2VMoO6). (ii) All ferrimagnetic states are metallic (except fully insulating Y2VTcO6) and no half-metallic antiferromagnetism has been found. (iii) Moreover, many of the ferrimagnetic structures appear to be unstable with respect to the spin-spiral alignment. Thus, the true magnetic ground state of these systems is expected to be more complex. In addition, we discuss several methodological issues related to nonuniqueness of the effective potential for the half-metallic and magnetic insulating states.

Kinetic method for determination of molybdenum(6) and tungsten(6) from oxidaton of O-aminophenol with hydrogen peroxide

International Nuclear Information System (INIS)

Krejngol'ts, S.U.; Vasnev, A.N.

1978-01-01

A new method for determination of Mo(6) and W(6), based on the oxidation of O-aminophenol with hydrogen peroxide, catalysed by Mo and W(6) ions, is suggested. The reaction takes place in the neutral medium at a rather high substrate concentrations. The 1.5 M acetate buffer solution, 0.2N EDTA and 0.1M solution of O-aminophenol in 0.1M HCl were suggested for determination of Mo (0.2N EDTA was used for Fe(3) camouflage). The 1.5M acetate buffer solution with 0.3M K 2 C 2 O 4 xH 2 O additions, for Fe(3) and Mo(6) camouflage, and 0.1M O-aminophenol solution in 0.1M solution of H 2 C 2 O 4 xH 2 O were used for tungsten determination. The range for Mo and W determination is 3x10 -3 and 1x10 -2 mkg/ml respectively. The range of Mo and W concentrations under determination is from 3x10 -3 -10 -2 to 2 mkg/ml. The techniques for the analysis of highly pure substances is developed

An i.r. investigation on some calcium aluminate hydrates, Ca2Al(OH)6+X-.yH2O (= 3CaO.Al2O3.CaX2.nH2O, X- = univalent anion)

NARCIS (Netherlands)

Houtepen, C.J.M.; Stein, H.N.

1976-01-01

The i.r. spectra of some hydrated and dehydrated calcium aluminate hydrates of the type Ca2Al(OH)6+X-·yH2O with X- = Cl-, Br-, J-, ClO3-, NO3-, ClO4- (y = 2) and X- = BrO3-, JO3- (2

Magnetic, Fluorescence and Transition Metal Ion Response Properties of 2,6-Diaminopyridine Modified Silica-Coated Fe3O4 Nanoparticles

Directory of Open Access Journals (Sweden)

Yunhui Zhai

2016-08-01

Full Text Available Multi-functional nanoparticles possessing magnetic, fluorescence and transition metal ion response properties were prepared and characterized. The particles have a core/shell structure that consists of silica-coated magnetic Fe3O4 and 2,6-diaminopyridine anchored on the silica surface via organic linker molecules. The resultant nanoparticles were found by transmission electron microscopy to be well-dispersed spherical particles with an average diameter of 10–12 nm. X-ray diffraction analysis suggested the existence of Fe3O4 and silica in/on the particle. Fourier transform infrared spectra revealed that 2,6-diaminopyridine molecules were successfully covalently bonded to the surface of magnetic composite nanoparticles. The prepared particles possessed an emission peak at 364 nm with an excitation wavelength of 307 nm and have a strong reversible response property for some transition metal ions such as Cu2+ and Zn2+. This new material holds considerable promise in selective magneto separation and optical determination applications.

Antiferromagnetism in reduced YBa2Cu3O6+x

International Nuclear Information System (INIS)

Casalta, H.; Schleger, P.; Montfrooij, W.; Andersen, N.H.; Lebech, B.; Liang Ruixing; Hardy, W.N.

1995-01-01

Magnetic ordering was investigated by neutron scattering in an YBa 2 Cu 3 O 6+x single crystal. We observed antiferromagnetic ordering (AFI) (T N =410 K for x=0.1 and T N =368 K for x=0.18), but found no evidence for a reordering down to 2 K (AFII). The magnetic structure factors are presented to emphasize the anisotropic character of the form factor. ((orig.))

Structural chemistry of the cation-ordered perovskites Sr2CaMo1-xTexO6 (0=<x=<1)

International Nuclear Information System (INIS)

Prior, Timothy J.; Couper, Victoria J.; Battle, Peter D.

2005-01-01

The crystal structures of Sr 2 CaMoO 6 and Sr 2 CaTeO 6 have been determined at room temperature by neutron powder diffraction. Both compounds crystallize in the perovskite structure with a rock-salt ordered array of Ca 2+ and M 6+ cations (M=Mo, Te) on the six-coordinate sites (space group P2 1 /n (no. 14); for M=Mo, a=5.76228(7), b=5.84790(7), c=8.18707(9)A, β=90.194(1) o , for M=Te, a=5.79919(9), b=5.83756(8), c=8.2175(1)A, β=90.194(1) o ). Compositions in the solid solution Sr 2 CaMo 1-x Te x O 6 have been synthesized and shown by X-ray diffraction to adopt the same ordered structure. The results are used in a discussion of the cation oxidation states in Ca 2 FeMoO 6 and to establish the similarity between the structural chemistry of hexavalent Mo and Te

Structure and optical properties of [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub m}

Energy Technology Data Exchange (ETDEWEB)

Eichhorn, Simon; Mader, Werner, E-mail: mader@uni-bonn.de

2016-01-15

Compounds of [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub 1} (x≤0.22) and [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub 2} (x≤0.42) were prepared by solid state processing proving a substantial solid solution of Sn in the layered compounds InGaO{sub 3}(ZnO){sub m} (m=1, 2). Single crystal X-ray diffraction of the compounds reveals two In{sup 3+} ions to be substituted by one Sn{sup 4+} and one Zn{sup 2+} at the octahedral layer preserving the average charge of +3 at these sites. The substitution does not lead to an ordering of the ions but proves for the first time that the octahedral site can be occupied by different ions while all characteristics of the layered structures remain unchanged. Consequences of indium substitution are (i) decrease of the a axis compared to InGaO{sub 3}(ZnO){sub m} according to smaller ionic radii of Sn{sup 4+} and Zn{sup 2+} compared to In{sup 3+} and (ii) shift of the optical band gap to higher energies shown by UV–vis measurements. - Graphical abstract: Substitution limits of indium in InGaO{sub 3}(ZnO){sub m} (IGZO) by Sn and Zn are studied for m=1, 2 by single crystal X-ray diffraction and micro-chemical analysis. - Highlights: • New Oxides [In{sub 1−2x}Sn{sub x}Zn{sub x}]GaO{sub 3}(ZnO){sub m} (m=1, 2) with IGZO type structure. • Sn and Zn substitute for In at octahedral sites. • Crystal structures were characterized by single crystal X-ray diffraction. • Optical band gap energies were determined by UV–vis spectroscopy.

Processing and characterization of Sr2−xVMoO6−δ double perovskites

International Nuclear Information System (INIS)

Weisentein, A.J.; Childs, N.; Amendola, R.; Driscoll, D.; Sofie, S.W.; Gannon, P.; Smith, R.

2013-01-01

In this study, the analysis and characterization of the processing and sintering of Sr 2−x VMoO 6−δ perovskites, where x = 0.0, 0.1 and 0.2, was investigated with application potential in high temperature fuel cell electrodes and electro-catalysts. Sr 2−x VMoO 6−δ substrates were sintered in a reducing (5%H 2 95%N 2 ) atmosphere at 1100 °C, 1200 °C, and 1300 °C. The X-ray diffraction patterns indicate that the double perovskite is the primary phase for Sr 2−x VMoO 6−δ pellets sintered at 1200 °C and 1300 °C for 20 h; however, these pellets show a secondary phase of SrMoO 4−δ . X-ray photoelectron spectroscopy revealed a deficiency of vanadium on the pellet surfaces, in which samples yielded surface vanadium concentrations of less than 5%. The vanadium inhomogeneity can be explained by the formation of the SrMoO 4−δ scheelite phase (ABO 4 ) due to oxygen exposure on the surface of the pellets, which indicates inward vanadium migration to the bulk, and was exhibited in redox cycling. Sr 2−x VMoO 6−δ pellets sintered at 1300 °C showed the lowest resistivity at both SOFC operating temperature (800 °C) and room temperature. The resistivity tests also show a semiconductor to metallic transition for all double perovskites, from heating up to 800 °C to cooling down to room temperature in a reducing atmosphere, related to the reduction of Mo 6+ to Mo 4+ . - Highlights: ► Primary Sr 2−x VMoO 6−δ phase only shown to form in excess of 1300 °C in reducing. ► Surface formation of secondary phase SrMoO 4−δ (Mo 6+ ) observed at RT in air. ► Surface vanadium deficiency induced by inward atomic diffusion. ► Semiconductor to metallic transition is related to the reduction of Mo 6+ to Mo 4+

Magnetic properties of CuFe{sub 1−x}Cr{sub x}O{sub 2} nanoparticles surrounded by amorphous SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mori, K.; Hachisu, M.; Yamazaki, T.; Ichiyanagi, Y., E-mail: yuko@ynu.ac.jp [Department of Physics, Graduate School of Engineering, Yokohama National University, Yokohama 240-8501 (Japan)

2015-05-07

CuFe{sub 1−x}Cr{sub x}O{sub 2} (0 ≤ x ≤ 1.0) nanoparticles surrounded by amorphous SiO{sub 2} with an average diameter of 30–50 nm were synthesized using a wet chemical method. The annealing temperatures were controlled to yield various sizes of single-phase CuFe{sub 1−x}Cr{sub x}O{sub 2} nanoparticles. CuFeO{sub 2} bulk crystal is known to have a multiferroic delafossite structure with two Néel temperatures of 11 and 14 K; however, the transition temperature shifted higher as the Cr–ion doping level increased. In addition, the lattice constants decreased in accordance with increased Cr-ion doping, which was confirmed by X-ray diffraction measurements. The magnetization curves showed weak ferromagnetic behavior and no coercivity was observed. Hence, frustration in the triangular lattice of the delafossite structure can be released by Cr–ion doping and higher magnetization can be expected. A fine structure analysis through X-ray absorption fine structure measurements was also conducted. It was found that the structure of the Cu ion is similar to that of Cu{sub 2}O, and the c axis of the CuFe{sub 1−x}Cr{sub x}O{sub 2} should be shortened by the Cr–ion doping.

Modulation-free bismuth-lead cuprate superconductors: BiPbSr1+xL1-xCuO6 and BiPbSr2Y1-xCaxCu2O8

International Nuclear Information System (INIS)

Manivannan, V.; Gopalakrishnan, J.; Rao, C.N.R.

1991-01-01

Modulation-free BiPbSrLCuO 6 (L=La, Pr, Nd) and BiPbSr 2 YCu 2 O 8 , which are isotypic with the n=1 and 2 members of the Bi 2 Sr 2 Ca n-1 Cu n O 2n+4 family, have been prepared and characterized. These parent compounds are nonsuperconducting, but when doped with holes by substitution chemistry give modulation-free superconducting cuprates of the general formulas BiPbSr 1+xL1-x CuO 6 and BiPbSr 2 Y 1-x Ca x Cu 2 O 8 , exhibiting maximum T c 's of 24 and 85 K, respectively. Significantly, the hole concentration at the maximum T c is 0.12 in the cuprate family with a single Cu-O layer and 0.22 in that with two Cu-O layers

Absence of intrinsic ferromagnetism in Zn{sub 1-x}Mn{sub x}O alloys

Energy Technology Data Exchange (ETDEWEB)

Zhang Huawei [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Shi Erwei [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Chen Zhizhan [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Liu Xuechao [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Xiao Bing [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)

2006-10-04

Zn{sub 1-x}Mn{sub x}O alloys, with different Mn concentrations, were prepared by the hydrothermal method. X-ray diffraction and electron paramagnetic resonance spectra demonstrate that Zn{sup 2+} ions are homogeneously substituted by Mn{sup 2+} ions without changing the ZnO wurtzite structure. The x = 0.02 and 0.04 samples are paramagnetic. When the Mn concentrations are increased to x = 0.08 and 0.10, the samples exhibit some ferromagnetism due to a secondary phase (Zn,Mn)Mn{sub 2}O{sub 4}. (letter to the editor)

C60 and U ion irradiation of Gd₂Ti_xZr_2-xO₇ pyrochlore

Energy Technology Data Exchange (ETDEWEB)

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

2015-08-01

Gd₂Ti_xZr_2-xO₇ (x = 0 to 2) pyrochlore was irradiated by 30 MeV C₆₀ clusters, which provide an extremely high ionizing energy density. Here, high-resolution transmission electron microscopy revealed a complex ion-track structure in Gd₂Ti₂O₇ and Gd₂TiZrO₇, consisting of an amorphous core and a shell of a disordered, defect-fluorite structure.

PMR investigation of configuration and mobility of H5O2+ ions in certain tungsten heteropolyacid hexahydrates

International Nuclear Information System (INIS)

Chuvaev, V.F.; Barash, A.B.

1982-01-01

PMR-method of wide bands has been used to investigate hexahydrates of tungsten typical heteropolyacids (HPA): H 3 PW 12 O 40 x6H 2 O, H 4 SiW 12 O 40 x6H 2 O, H 5 BW 12 O 40 x6H 2 O. The results are considered from the viewpoint of existing ideas on formation of H 5 O 2+ diaquohydrogen ions in the HPA structure. SoMe problems of stabilization of low-level hydrates of tungsten and molybdenum HPA are considered as well. The data of PMR low-temperature (80K) spectra have been used to identify the H 3 O + ions, H 2 O mole-- cules and small number of free protons in the investigated HPA. Taking this into account the H 5 O 2+ under the conditions of solid lattice is characterized as static distribution of proton between two molecules of the water of H 3 O + xH 2 O group. Dependence of the PMR spectra on temperature detects two transition regions, caused by mobility of the H 5 O 2+ elements. In the region of first transition (up to 250 K) the H 3 O + xH 2 O static configuration became dynamical, because of quick proton fluctuation along the 0...0 bond and librations of the H 2 O molequles. Then, higher than 250K, the H 5 O 2+ motion became more isotopic and then diffusion. Dynamical state of the H 5 O 2+ in H 3 PW 12 O 40 x6H 2 O and H 4 SiW 12 O 40 x6H 2 O hexahydrates in the wide temperature range is of limited nature, caused by specific of the H 5 O 2+ localizetion in the HPA structure

Characterisation of the simultaneous molybdenum reduction and glyphosate degradation by Burkholderia vietnamiensis AQ5-12 and Burkholderia sp. AQ5-13.

Science.gov (United States)

Manogaran, Motharasan; Ahmad, Siti Aqlima; Yasid, Nur Adeela; Yakasai, Hafeez Muhammad; Shukor, Mohd Yunus

2018-02-01

In this novel study, we report on the use of two molybdenum-reducing bacteria with the ability to utilise the herbicide glyphosate as the phosphorus source. The bacteria reduced sodium molybdate to molybdenum blue (Mo-blue), a colloidal and insoluble product, which is less toxic. The characterisation of the molybdenum-reducing bacteria was carried out using resting cells immersed in low-phosphate molybdenum media. Two glyphosate-degrading bacteria, namely Burkholderia vietnamiensis AQ5-12 and Burkholderia sp. AQ5-13, were able to use glyphosate as a phosphorous source to support molybdenum reduction to Mo-blue. The bacteria optimally reduced molybdenum between the pHs of 6.25 and 8. The optimum concentrations of molybdate for strain Burkholderia vietnamiensis strain AQ5-12 was observed to be between 40 and 60 mM, while for Burkholderia sp. AQ5-13, the optimum molybdate concentration occurred between 40 and 50 mM. Furthermore, 5 mM of phosphate was seen as the optimum concentration supporting molybdenum reduction for both bacteria. The optimum temperature aiding Mo-blue formation ranged from 30 to 40 °C for Burkholderia vietnamiensis strain AQ5-12, whereas for Burkholderia sp. AQ5-13, the range was from 35 to 40 °C. Glucose was the best electron donor for supporting molybdate reduction, followed by sucrose, fructose and galactose for both strains. Ammonium sulphate was the best nitrogen source in supporting molybdenum reduction. Interestingly, increasing the glyphosate concentrations beyond 100 and 300 ppm for Burkholderia vietnamiensis strain AQ5-12 and Burkholderia sp. AQ5-13, respectively, significantly inhibited molybdenum reduction. The ability of these bacteria to reduce molybdenum while degrading glyphosate is a useful process for the bioremediation of both toxicants.

Redox chemistry of o- and m-hydroxycinnamic acids: a pulse radiolysis study

International Nuclear Information System (INIS)

Yadav, P.; Rao, B.S.M.; Mohan, H.; Mittal, J.P.

2002-01-01

Radiation chemical reactions of . OH, O .- , N 3 . and e aq - with o- and m- hydroxycinnamic acids were studied. The second-order rate constants for the reaction of . OH with ortho and meta isomers in buffer solution at pH 7 are 3.9 ± 0.2 x 10 9 and 4.4 ± 0.3 x 10 9 dm 3 mol -l S -1 respectively. At pH 3 the rate with the ortho isomer was halved (1.6 ± 0.4 x 10 9 dm 3 mol -l s -1 ) but it was unaffected in the case of meta isomer (k = 4.2 ± 0.6 x 10 9 dm 3 mol -l s -1 ). The rate constant in the reaction of N 3 . with the ortho isomer is lower by an order of magnitude (k = 4.9 ± 0.4 x 10 8 dm 3 mol -l s -1 ). The rates of the reaction of e aq - with ortho and meta isomers were found to be diffusion controlled. The transient absorption spectrum measured in the . OH with o- hydroxycinnamic acid exhibited an absorption maximum at 360 nm and in meta isomer the spectrum was blue-shifted (330 nm) with a shoulder at 390 nm. A peak at 420 nm was observed in the reaction of O .- with the o-isomer whereas the meta isomer has a maximum at 390 and a broad shoulder at 450 nm. In the reaction of e aq - , the absorption peaks were centred al 370-380 nm in both the isomers. The underlying reaction mechanism is discussed. (author)

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.

Photoluminescence and scintillation properties of Ce-doped Sr2(Gd1-xLux)8(SiO4)6O2 (x = 0.1, 0.2, 0.4, 0.5, 0.6) crystals

Science.gov (United States)

Igashira, Takuya; Kawano, Naoki; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

2018-05-01

Apatite crystals with chemical compositions of 0.5% Ce-doped Sr2(Gd1-xLux)8(SiO4)6O2 (x = 0.1, 0.2, 0.4, 0.5, 0.6) were synthesized by the Floating Zone method, and then we evaluated their photoluminescence (PL) and scintillation properties. All the Ce-doped samples exhibited PL and scintillation with an intense broad emission in 400-550 nm in which the origin was attributed to the 5d-4f transition of Ce3+, and the emission peak became broader with increasing the concentration of Lu3+. Both PL and scintillation decay time profiles were best-approximated by a sum of two exponential decay functions, and the origin of slower component was attributed to the 5d-4f transition of Ce3+. In the X-ray induced afterglow measurements, the Ce-doped Sr2(Gd0.4Lu0.6)8(SiO4)6O2 sample exhibited the lowest afterglow level. Furthermore, the Ce-doped Sr2(Gd0.5Lu0.5)8(SiO4)6O2 and Sr2(Gd0.4Lu0.6)8(SiO4)6O2 samples showed a clear full energy deposited peak under 5.5 MeV 241Am α-ray irradiation, and the estimated absolute scintillation light yields were around 290 and 1300 ph/5.5 MeV-α, respectively.

Quasi-one-dimensional magnetic behaviour of the Ising system CsFeCl3.2aq

NARCIS (Netherlands)

Kopinga, K.; Steiner, M.; Jonge, de W.J.M.

1985-01-01

The magnetic behaviour of the quasi-one-dimensional system CsFeCl3.2aq(aq=H2O, D2O) has been investigated by heat capacity measurements, quasi-elastic neutron scattering and spin-cluster resonance. the experiments demonstrate that below 25K the compound is a very good realisation of an (S=1/2) Ising

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-05-15

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

In situ SERS and X-ray photoelectron spectroscopy studies on the pH-dependant adsorption of anthraquinone-2-carboxylic acid on silver electrode

Energy Technology Data Exchange (ETDEWEB)

Li, Dan, E-mail: dany@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Jia, Shaojie [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Fodjo, Essy Kouadio [Laboratory of Physical Chemistry, University Felix Houphouet Boigny, 22 BP 582, Abidjan 22, Cote d’Ivoire (Cote d' Ivoire); Xu, Hu [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Wang, Yuhong, E-mail: yuhong_wang502@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Deng, Wei [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China)

2016-03-30

Graphical abstract: The orientation of anthraquinone-2-carboxylic acid (AQ-2-COOH) has been investigated by in situ surface-enhanced Raman scattering (in situ SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) on silver surface. - Highlights: • The adsorption behavior of anthraquinone-2-carboxylic acid (AQ-2-COOH) on Ag electrode is influenced by the pH. • The pH-dependant adsorption of AQ-2-COOH has been confirmed by in situ surface-enhanced Raman scattering (in situ SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS). • The results can provide insights into electron transfer reactions of AQ-2-COOH in biological systems. - Abstract: In this study, in situ surface-enhanced Raman scattering (SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) are used to investigate the redox reaction and adsorption behavior of anthraquinone-2-carboxylic acid (AQ-2-COOH) on an Ag electrode at different pH values. The obtained results indicate that AQ-2-COOH is adsorbed tilted on the Ag electrode through O-atom of ring carbonyl in a potential range from −0.3 to −0.5 V vs. SCE, but the orientation turns to more tilted orientation with both O-atom of the ring carbonyl and carboxylate group in positive potential region for pH 6.0 and 7.4. However, at pH 10.0, the orientation adopts tilted conformation constantly on the Ag electrode with both O-atom of the anthraquinone ring and carboxylate group in the potential range from −0.3 to −0.5 V vs. SCE or at positive potentials. Moreover, the adsorption behavior of AQ-2-COOH has been further confirmed by AR-XPS on the Ag surface. Proposed reasons for the observed changes in orientation are presented.

EXAFS study influence of pH on microscopic structure of zinc

International Nuclear Information System (INIS)

Li Xianliang; Chongqing Entry-Exit Inspection and Quarantine Bureau, Chongqing; Pan Gang; Zhu Mengqiang; Chen Hao; Hu Tiandou; Wu Ziyu; Xie Yaning; Du Yonghua

2004-01-01

Microscopic local structures of Zn(II) were studied using extended X-ray absorption fine structure (EXAFS) spectroscopy under different pH conditions. When pH 2+ (aq) was coordinated with six water molecules and the average Zn-O distance was measured to be 2.08 Angstrom, which indicated that hydrated Zn 2+ (aq) ions were in octahedral geometry under acid conditions. Under alkaline conditions, Zn 2+ (aq) was coordinated with four water molecules and the average Zn-O distance was measured to be 1.96 Angstrom, which indicated that hydrated Zn 2+ (aq) ions were in tetrahedral geometry. EXAFS results provided detailed information on the form and microscopic structure of hydrated Zn(II) ions under different pH conditions, which were fundamental for understanding the reactivity of Zn(II) in solutions and at particle-water interfaces. (authors)

Magnetization reversal and tunable exchange bias in GdCr{sub 1−x}Mn{sub x}O{sub 3} (x=0−0.50)

Energy Technology Data Exchange (ETDEWEB)

Dash, Bibhuti B.; Ravi, S., E-mail: sravi@iitg.ernet.in

2017-05-01

Single phase samples of GdCr{sub 1-x}Mn{sub x}O{sub 3} (x=0−0.50) were prepared and their magnetic properties were studied by measuring temperature and field variations of magnetization. The Neel temperature, T{sub N} is found to decrease from T{sub N}=174 K for x=0 to 91 K for x=0.50. The magnetization reversal persists upto 5 at% of Mn substitution with a magnetic compensation temperature, T{sub comp} of 136 K and 139 K for x=0 and 0.05 respectively. However, spin reorientation induced magnetization reversal emerges for x=0.40 and 0.50 samples around 30 K. Tunable positive and negative exchange bias fields in the range of −1.0 kOe to +1.6 kOe have been observed. The origin of magnetization reversal and exchange bias field is explained in terms of antiparallel alignment of canted ferromagnetic component of Cr{sup 3+} ions and the paramagnetic moments of Gd{sup 3+} and Mn{sup 3+} ions under the influence of negative internal field due to antiferromagnetically ordered Cr{sup 3+} ions. - Highlights: • Magnetization reversal and bipolar switching in Mn substituted GdCrO{sub 3} • Tunable exchange bias field in the range of −1.0 kOe to +1.6 kOe. • Low temperature spin reorientation transition is observed.

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.

Defect chemistry and oxygen transport of (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2), Sr: Part II: Oxygen transport

DEFF Research Database (Denmark)

Dalslet, Bjarke Thomas; Søgaard, Martin; Hendriksen, Peter Vang

2009-01-01

This paper is the second part of a two part series, where the effects of varying the A-site dopant on the defect chemistry and transport properties of the materials (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Sr, Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2) (LSMFC) have been investigated. In part I......, the findings on the defect chemistry were reported, while the oxygen transport properties are reported here in part II. In the investigated material series, the amount of divalent dopant has been kept constant, while Sr ions have been substituted with Ca ions (smaller ionic radius) or Ba ions (larger ionic...... electrolyte probe were used to extract the permeability and surface resistance, rs. The highest permeability was found for (La0.6Sr0.3Ca0.1)0.99Co0.2Fe0.8O3 − δ. The apparent activation energy of the permeability was 78 kJ/mol. The inverse surface resistance, rs− 1, also had an activated behavior...

Theoretical calculations of oxygen relaxation in YBa2Cu3O6+x ceramics

Science.gov (United States)

Mi, Y.; Schaller, R.; Sathish, S.; Benoit, W.

1991-12-01

A two-dimensional theoretical model of stress-induced point-defect relaxation in a layered structure is presented, with a detailed discussion of the special case of YBa2Cu3O6+x. The experimental results of oxygen relaxation in YBa2Cu3O6+x can be explained qualitatively by this model.

3-Amino-1,2,4-triazolium ion in [24(3at)]Cl and [24(3at)]2SnCl6·H2O. Comparative X-ray, vibrational and theoretical studies

Science.gov (United States)

Daszkiewicz, Marek; Marchewka, Mariusz K.

2012-09-01

Crystal structures of 3-amino-1,2,4-triazolium chloride and bis(3-amino-1,2,4-triazolium) hexachloridostannate monohydrate were determined by means of X-ray single crystal diffraction. The route of protonation of organic molecule and tautomer equilibrium constants for the cationic forms were calculated using B3LYP/6-31G* method. The most stable protonated species is 2,4-H2-3-amino-1,2,4-triazolium ion, 24(3at)+. Very good agreement between theoretical and experimental frequencies was achieved due to very weak interactions existing in studied compounds. Significantly weaker intermolecular interactions are found in [24(3at)]2SnCl6·H2O than in [24(3at)]Cl. The differences in strength of interactions are manifested in red and blue shifts for stretching and bending motions, respectively. PED calculations show that for 24(3at)+ ion the stretching type of motion of two Nringsbnd H bonds is independent, whereas bending is coupled.

Synthesis and Electrochemical Properties of Ni Doped Spinel LiNixMn2-xO4 (0 ≤ x ≤ 0.5) Cathode Materials for Li-Ion Battery

CSIR Research Space (South Africa)

Kebede, M

2013-11-01

Full Text Available Spherical pristine LiMn2O4 and Ni doped LiNixMn2-xO4 (x=0.1, 0.2, 0.3, 0.4, 0.5) cathode materials for lithium ion battery with high first cycle discharge capacity and excellent cycle performance were synthesized using the solution...

Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).

Science.gov (United States)

Serezhkin, Viktor N; Grigoriev, Mikhail S; Abdulmyanov, Aleksey R; Fedoseev, Aleksandr M; Savchenkov, Anton V; Serezhkina, Larisa B

2016-08-01

Synthesis and X-ray crystallography of single crystals of [Mg(H2O)6][AnO2(C2H5COO)3]2, where An = U (I), Np (II), or Pu (III), are reported. Compounds I-III are isostructural and crystallize in the trigonal crystal system. The structures of I-III are built of hydrated magnesium cations [Mg(H2O)6](2+) and mononuclear [AnO2(C2H5COO)3](-) complexes, which belong to the AB(01)3 crystallochemical group of uranyl complexes (A = AnO2(2+), B(01) = C2H5COO(-)). Peculiarities of intermolecular interactions in the structures of [Mg(H2O)6][UO2(L)3]2 complexes depending on the carboxylate ion L (acetate, propionate, or n-butyrate) are investigated using the method of molecular Voronoi-Dirichlet polyhedra. Actinide contraction in the series of U(VI)-Np(VI)-Pu(VI) in compounds I-III is reflected in a decrease in the mean An═O bond lengths and in the volume and sphericity degree of Voronoi-Dirichlet polyhedra of An atoms.

Magnetostructural correlations in the antiferromagnetic Co2-x Cux(OH)AsO4 (x=0 and 0.3) phases

International Nuclear Information System (INIS)

Pedro, I. de; Rojo, J.M.; Pizarro, J.L.; Rodriguez Fernandez, J.; Arriortua, M.I.; Rojo, T.

2011-01-01

The Co 2-x Cu x (OH)AsO 4 (x=0 and 0.3) compounds have been synthesized under mild hydrothermal conditions and characterized by X-ray single-crystal diffraction and spectroscopic data. The hydroxi-arsenate phases crystallize in the Pnnm orthorhombic space group with Z=4 and the unit-cell parameters are a=8.277(2) A, b=8.559(2) A, c=6.039(1) A and a=8.316(1) A, b=8.523(2) A, c=6.047(1) A for x=0 and 0.3, respectively. The crystal structure consists of a three-dimensional framework in which M(1)O 5 -trigonal bipyramid dimers and M(2)O 6 -octahedral chains (M=Co and Cu) are present. Co 2 (OH)AsO 4 shows an anomalous three-dimensional antiferromagnetic ordering influenced by the magnetic field below 21 K within the presence of a ferromagnetic component below the ordering temperature. When Co 2+ is partially substituted by Cu 2+ ions, Co 1.7 Cu 0.3 (OH)AsO 4 , the ferromagnetic component observed in Co 2 (OH)AsO 4 disappears and the antiferromagnetic order is maintained in the entire temperature range. Heat capacity measurements show an unusual magnetic field dependence of the antiferromagnetic transitions. This λ-type anomaly associated to the three-dimensional antiferromagnetic ordering grows with the magnetic field and becomes better defined as observed in the non-substituted phase. These results are attributed to the presence of the unpaired electron in the dx 2 -y 2 orbital and the absence of overlap between neighbour ions. - Graphical abstract: Schematic drawing of the Co 2-x Cu x (OH)AsO 4 (x=0 and 0.3) crystal structure view along the |0 1 0| direction. Polyhedra are occupied by the M(II) ions (M=Co and Cu) and the AsO 4 groups are represented by tetrahedra. Open circles correspond to the oxygen atoms, and small circles show the hydrogen atoms. Highlights: → Synthesis of a new adamite-type compound, Co 1.7 Cu 0.3 (OH)AsO 4 . → Single crystal structure, spectroscopic characterization and magnetic properties. → Unusual dependence on the magnetic field for

Electrical conductivity of Sr{sub 2−x}VMoO{sub 6−y} (x = 0.0, 0.1, 0.2) double perovskites

Energy Technology Data Exchange (ETDEWEB)

Childs, Nicholas B.; Smith, Richard; Key, Camas [Department of Physics, EPS 264, Montana State University, Bozeman, Montana 59717 (United States); Weisenstein, Adam; Sofie, Stephen [Department of Mechanical Engineering, Roberts 220, Montana State University, Bozeman, Montana 59717 (United States)

2013-06-28

Electrical conductivity of Sr{sub 2-x}VMoO{sub 6-y} (x = 0.0, 0.1, 0.2) double perovskites has been investigated in a reducing atmosphere at temperatures up to 800 °C. This material has a key application in solid oxide fuel cell anodes as a mixed ion and electron conductor. A solid state synthesis technique was used to fabricate materials and crystal structure was verified through x-ray diffraction. Subsequent to conventional sintering in a reducing environment, elemental valence states were indentified through x-ray photoemission spectroscopy on the double perovskite material before and after annealing in a hydrogen environment. Samples exhibited metallic like conduction with electrical conductivities of 1250 S/cm (Sr{sub 2}VMoO{sub 6-y′}), 2530 S/cm (Sr{sub 1.8}VMoO{sub 6-y″}), and 3610 S/cm (Sr{sub 1.9}VMoO{sub 6-y‴}) at 800 °C in 5% H{sub 2}/95% N{sub 2}, with a substantial increase in conductivity upon cooling to room temperature. Room temperature electrical conductivity values for Sr{sub 1.9}VMoO{sub 6-y‴} make it a candidate as the highest electrically conductive oxide known. Highly insulating secondary surface phases, Sr{sub 3}V{sub 2}O{sub 8}, and SrMoO{sub 4}, begin to reduce at 400 °C in a hydrogen environment, as confirmed by X-ray photoemission and thermal gravimetric analysis. This reduction, from V{sup 5+} and Mo{sup 6+} to lower valence states, leads to a large increase in sample electrical conductivity.

Influence of valence state of copper ions on structural and spectroscopic properties of multi-component PbO-Al2O3-TeO2-GeO2-SiO2 glass ceramic system- a possible material for memory switching devices

Science.gov (United States)

Tirupataiah, Ch.; Narendrudu, T.; Suresh, S.; Srinivasa Rao, P.; Vinaya Teja, P. M.; Sambasiva Rao, M. V.; Chinna Ram, G.; Krishna Rao, D.

2017-11-01

Multi-component glass ceramics with composition 29PbO-5Al2O3-1TeO2 -10GeO2- (55-x) SiO2 doped with different concentrations of CuO (0 ≤ x ≤ 1.0 mol %) were synthesized by melt quenching technique and subsequent heat treatment. These glass ceramics were characterized by X-ray diffraction, scanning electron microscope, differential thermal analysis, optical absorption, electron paramagnetic resonance, Fourier transform infrared and Raman studies. The absorption spectra of these glass ceramics exhibited a broad absorption band in the range 650-950 nm which is ascribed to 2B1g → 2B2g octahedral transition of Cu2+ ions. A feeble band around 364 nm is also identified in the samples doped with CuO up to 0.6 mol% as being due to charge transfer between the two oxidation states Cu2+ and Cu+ of copper ions. The EPR spectrum recorded at room temperature exhibited a strong resonance signal at g⊥ = 2.072 and a shallow quadruplet at about gǁ = 2.401. FTIR and Raman spectra of the titled samples provide significant information about various structural units viz., silicate, germanate, PbO4, PbO6, AlO6, TeO4 and TeO3 that are present in these ceramic matrix. Analysis of the spectroscopic investigations reveals that with an increase in the concentration of CuO up to 0.6 mol% copper ions do exist in Cu2+ and Cu+ states and they act as modifiers and net work formers respectively. Therefore, glass ceramic sample contains 0.6 mol% of CuO is favorable for memory switching action.

Perovskite phases of the system Ba/sub 2/MgUsub(1-x)Wsub(x)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

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

1976-08-01

The series Ba/sub 2/MgUsub(1-x)Wsub(x)O/sub 6/ shows complete miscibility. The Vegard rule is obeyed. Deviations from the ideal properties of solid solutions are observed: The replacement of Usup 9vi0 by Wsup(VI) leads to a deformation of the UO/sub 6/ octahedra and vice versa.

Reactivity of OH· and e-aq from electron beam irradiation of aqueous solutions of EDTA and aminopolycarboxylic acids

International Nuclear Information System (INIS)

Vel Leitner, N.K.; Guilbault, I.; Legube, B.

2003-01-01

Electron beam irradiation of aqueous solutions of EDTA, EDDA NN', NTA, IDA and Cu-EDTA was performed in the presence of scavengers for the hydroxyl radicals (methanol) or for the solvated electrons (hydrogen peroxide). Experiments showed that for each molecule, the G-value decreases as the radiation dose increases from 1 to 25 kGy, and for EDTA, when the initial concentration decreases from 10 to 0.1 mmol l -1 . At pH 8 and for 5 kGy, the G-values of NTA, IDA, EDTA and EDDA NN' removal ascribed to OH · radicals are, respectively, 0.06, 0.06, 0.15 and 0.20 μmol J -1 , whereas for the solvated electrons the G-values were, respectively, 0.01, 0.01, 0.06 and 0.04 μmol J -1 . The rate constants of hydroxyl radicals and solvated electrons were determined by comparison with one competitor. For each active species (hydroxyl radical or solvated electron), the reactivity is connected to the number of nitrogen atoms and acetate groups. The rate constants of OH · radicals are above 10 10 and 8.6x10 9 l mol -1 s -1 for EDDA NN' and EDTA, respectively, 2.1x10 9 l mol -1 s -1 for IDA and 6.1x10 8 l mol -1 s -1 for NTA. The reactivity of solvated electrons is smaller and the rate constants are in the range 1.9x10 6 -3.7x10 6 l mol -1 s -1 for NTA, IDA and EDDA NN' and equal 1.4x10 7 l mol -1 s -1 for EDTA. The reactivity of the complex Cu-EDTA towards OH · does not differ to a large extent from EDTA whereas with e - aq the reactivity of Cu-EDTA is better than EDTA since k e - /Cu-EDTA reaches 2.2x10 9 l mol -1 s -1 . It follows that when both active entities (OH · and e - aq ) are involved in the electron beam irradiation process, the removal of free aminopolycarboxylic acids is mainly due to OH · radicals. However, the complex Cu-EDTA is concerned by both e - aq and OH · radicals

Poly[(6-carboxypicolinato-κ3O2,N,O6(μ3-pyridine-2,6-dicarboxylato-κ5O2,N,O6:O2′:O6′dysprosium(III

Directory of Open Access Journals (Sweden)

Xu Li

2009-11-01

Full Text Available In the title complex, [Dy(C7H3NO4(C7H4NO4]n, one of the ligands is fully deprotonated while the second has lost only one H atom. Each DyIII ion is coordinated by six O atoms and two N atoms from two pyridine-2,6-dicarboxylate and two 6-carboxypicolinate ligands, displaying a bicapped trigonal-prismatic geometry. The average Dy—O bond distance is 2.40 Å, some 0.1Å longer than the corresponding Ho—O distance in the isotypic holmium complex. Adjacent DyIII ions are linked by the pyridine-2,6-dicarboxylate ligands, forming a layer in (100. These layers are further connected by π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.827 (3 Å] and C—H...O hydrogen-bonding interactions, assembling a three-dimensional supramolecular network. Within each layer, there are other π–π stacking interactions between neighboring pyridyl rings [centroid–centroid distance = 3.501 (2 Å] and O—H...O and C—H...O hydrogen-bonding interactions, which further stabilize the structure.

Evidence for Radiative Recombination of O+ Ions as a Significant Source of O 844.6 nm Emission Excitation

Science.gov (United States)

Waldrop, L.; Kerr, R. B.; Huang, Y.

2018-04-01

Photoelectron (PE) impact on ground-state O(3P) atoms is well known as a major source of twilight 844.6 nm emission in the midlatitude thermosphere. Knowledge of the PE flux can be used to infer thermospheric oxygen density, [O], from photometric measurements of 844.6 nm airglow, provided that PE impact is the dominant process generating the observed emission. During several spring observational campaigns at Arecibo Observatory, however, we have observed significant 844.6 nm emission throughout the night, which is unlikely to arise from PE impact excitation which requires solar illumination of either the local or geomagnetically conjugate thermosphere. Here we show that radiative recombination (RR) of O+ ions is likely responsible for the observed nighttime emission, based on model predictions of electron and O+ ion density and temperature by the Incoherent Scatter Radar Ionosphere Model. The calculated emission brightness produced by O + RR exhibits good agreement with the airglow data, in that both decay approximately monotonically throughout the night at similar rates. We conclude that the conventional assumption of a pure PE impact source is most likely to be invalid during dusk twilight, when RR-generated emission is most significant. Estimation of [O] from measurements of 844.6 nm emission demands isolation of the PE impact source via coincident estimation of the RR source, and the effective cross section for RR-generated emission is found here to be consistent with optically thin conditions.

Crystal structure of Sm(NO3)3x6H2O

International Nuclear Information System (INIS)

Espenbetov, A.A.; Gerr, R.G.; Struchkov, Yu.T.; Sal'nikova, N.A.; Akimov, V.M.; Odinets, Z.K.

1985-01-01

X-ray diffraction study of a salt, prepared when mixing concentrated nitric acid solutions of NaNO 3 and Sm(NO 3 ) 3 , has been carried out. It is established, that the salt is a concretion of two crystals: NaNO 3 and Sm(NO 3 ) 3 x6H 2 O (1). X-ray diffraction study of 1 is carried out (lambda Mo, diffractometer, 1511 reflections, the method of heavy atom, the least square method in anisotropic approximation up to R=0.0348). The crystals of 1 are triclinic: a=6.755, b=9.168, c=11.684 A, α=69.93, β=88.86, γ=69.28, Z=2, Fedorov group P anti 1. Symmetery of 10-vertex coordination polyhedron (CP) of Sm atom is close to Csub(s). Sm atom coordination can be described as 4;5:1. Four H 2 O molecules are included into CP, at the expense of two remaining H 2 O molecules CP are bound with each other

Solubility behavior of quartz and corundum in supercritical water: A quantitative thermodynamic interpretation

International Nuclear Information System (INIS)

Ziemniak, S.E.

1995-05-01

Dissolution reaction equilibria for α-quartz (SiO 2 ) and corundum (α-Al 2 0 3 ) in pure, supercritical water are quantified using a density-dependent thermodynamic model. The database of existing solubility literature for α-quartz (0.2-10 kb, 200--575 degrees C) is shown to be consistent with the presence of two hydrolyzed SI(IV) ion forms: Si(OH) 4 (aq) and Si 2 O(OH) 6 (aq); the corundum database (1-20 kb, 400--700 degrees C) is consistent with Al(OH) 3 (aq) and Al(OH) 4 - . A third Si(IV) ion hydroxocomplex, Si 2 O 2 (OH) 5 - , is indicated at lower pressures (0.03-0.10 kb). The characteristic sigmoidal nature of the solubility isobars is explained by dimerization of Si(OH) 4 (aq) (at high densities) or the formation of anionic hydrolysis products, Si 2 0 2 (OH) 5 - and Al(OH) 4 - , in the low density region (p 2 O(OH) 6 (aq) and Si 2 O 2 (OH) 5 - are made available for the first time

Enthalpies of formation of layered LiNi{sub x}Mn{sub x}Co{sub 1-2x}O{sub 2} (0 ≤ x ≤ 0.5) compounds as lithium ion battery cathode materials

Energy Technology Data Exchange (ETDEWEB)

Masoumi, Maryam; Cupid, Damian M.; Reichmann, Thomas L.; Seifert, Hans J. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Chang, Keke; Music, Denis; Schneider, Jochen M. [RWTH Aachen Univ. (Germany). Materials Chemistry

2017-11-15

Layer-structured mixed transition metal oxides with the formula LiNi{sub x}Mn{sub x}Co{sub 1-2x}O{sub 2} (0 ≤ x ≤ 0.5) are considered as important cathode materials for lithium-ion batteries. In an effort to evaluate the relative thermodynamic stabilities of individual compositions in this series, the enthalpies of formation of selected stoichiometries are determined by high temperature oxide melt drop solution calorimetry and verified by ab-initio calculations. The measured and calculated data are in good agreement with each other, and the results show that LiCoO{sub 2}-LiNi{sub 0.5}Mn{sub 0.5}O{sub 2} solid solution approaches ideal behavior. By increasing x, i.e. by equimolar substitution of Mn{sup 4+} and Ni{sup 2+} for Co{sup 3+}, the enthalpy of formation of LiNi{sub x}Mn{sub x}Co{sub 1-2x}O{sub 2} from the elements becomes more exothermic, implying increased energetic stability. This conclusion is in agreement with the literature results showing improved structural stability and cycling performance of Ni/Mn-rich LiNi{sub x}Mn{sub x}Co{sub 1-2x}O{sub 2} compounds cycled to higher cut-off voltages.

Síntesis de nanocomposites NTC-13%ZrO2 – (87-xAl2O3-xFe

Directory of Open Access Journals (Sweden)

Legorreta García, F.

2014-04-01

Full Text Available Carbon nanotubes (CNT in a ceramic matrix – Fe, NTC-13%ZrO2 – (87-xAl2O3-xFe, (x = 1.9, 4.6 y 6.4%, were obtained using a combustion synthesis urea-nitrate, calcination treatment and chemical vapor deposition (CCVD in H2-CH4 atmosphere. The effect of the addition of Fe ions on the ceramic matrix was studied and presented. The ceramic powder obtained was calcined at 1200 °C for 2 h to modify the phases present in the solid solution. Subsequently it was introduced in a H2-CH4 reducing atmosphere at 1000 °C in order to promote the formation of CNT in the matrix. Both, the solid solution obtained and the composite materials were characterized by X-ray diffraction (XRD and high resolution scanning electron microscopy (HRSEM. Carbon content and specific surface also were determined. The quality and quantity of CNT present in the nanocomposite powder were related to the concentration of Fe, which significantly modifies their carbon content and specific surface.Mediante una síntesis por combustión ureica-nitratos, calcinación y la aplicación de un tratamiento de deposición química catalítica de vapor (CCVD en una atmósfera H2-CH4, se obtuvieron polvos nanocomposites: nanotubos de carbono (NTC en una matriz cerámica –Fe, NTC-13%ZrO2 – (87-xAl2O3-xFe, (x = 1.9, 4.6 y 6.4 %. El efecto de la adición de iones Fe sobre la matriz cerámica es estudiado y presentado. El polvo cerámico obtenido es calcinado a 1200 °C durante 2 h para modificar las fases presentes del composite. Posteriormente es sometido a una atmósfera reductora H2-CH4 a 1000 °C con la finalidad de promover la formación de NTC in situ en la matriz. Tanto el composite obtenido, como el material nanocomposite fueron caracterizados por difracción de rayos X (DRX y microscopía electrónica de barrido de alta resolución (MEB. También se determinó el contenido de carbono y la superficie específica. Se observó que la calidad y cantidad de NTC presentes en los polvos

Multiferroic Double Perovskites ScFe1-xCrxO3 (1 /6 ≤x ≤5 /6 ) for Highly Efficient Photovoltaics and Spintronics

Science.gov (United States)

Cai, Tian-Yi; Liu, Shi-Chen; Ju, Sheng; Liu, Cheng-You; Guo, Guang-Yu

2017-09-01

Ferroelectric oxides are attractive materials for constructing efficient solar cells. Nevertheless, a wide band gap of nearly 3.0 eV in these ferroelectric oxides would result in poor overall sunlight absorption and, hence, low energy conversion efficiency. Here, by systematic first-principles density-functional calculations, we demonstrate that double-perovskite semiconductors ScFe1-xCrxO3 (1 /6 ≤x ≤5 /6 ) with a narrow band gap of approximately 1.8 eV would simultaneously exhibit large ferroelectric polarization (100 μ C /cm2 ) and ferrimagnetic magnetization (170 emu/cm3 ). Within a Schottky-based model for a typical sandwich solar-cell structure, a power-conversion efficiency of 9.0% can be reached by neglecting all other sources of photovoltaicity in ferroelectric materials. This value is larger than the largest value of 8.1% observed in ferroelectric oxides. Furthermore, these double perovskites are found to be single-spin semiconductors, and the obtained photocurrent is fully spin polarized over almost the entire Sun spectrum. These fascinating advantages would make ScFex Cr1 -xO3 (1 /6 ≤x ≤5 /6 ) semiconductors promising candidates for highly efficient solar cells and spin photovoltaic devices.

Polymorphism of perovskite compounds Ba/sub 2/SEsub(0. 67)Wsup(VI)O/sub 6/. 2. The systems Ba/sub 2/Ndsub(0. 67(1-x))Ysub(0. 67x)WO/sub 6/ and Ba/sub 2/Ndsub(0. 67)Wsub(1-x)Usub(x)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Schnittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1977-06-01

In the system Ba/sub 2/Ndsub(0.67(1-x))Ysub(0.67x)WO/sub 6/ the formation of a continuous series of mixed crystals with cubic 1:1 ordered perovskite structure is observed. The existence of a hexagonal modification is confined to the Y-rich side (x => 0.9). In the Ba/sub 2/Ndsub(0.67)Wsub(1-x)Usub(x)O/sub 6/ series only for x =< 0.25 homogeneous cubic perovskites are obtained. In contrast to systems with other rare earths the Nd series show uncommon optical properties.

Octakis(dimethyl sulfoxide-κOcerium(III μ6-oxido-dodeca-μ2-oxido-hexaoxidohexamolybdate(VI dimethyl sulfoxide tetrasolvate

Directory of Open Access Journals (Sweden)

Arbia Ben Khélifa

2012-07-01

Full Text Available The title complex, [Ce(C2H6OS8]2[Mo6O19]3·4C2H6OS, was obtained as a byproduct of the reaction of [(C4H94N]2[Mo6O19] with Ce(NO33·6H2O and phthalic acid in dimethylsulfoxide solution. The asymmetric unit consists of a complex [Ce(C2H6OS8]3+ cation, one and a half of the Lindqvist-type [Mo6O19]2− polyanions and two dimethylsulfoxide solvent molecules; the half polyanion lies on an inversion center. The Ce3+ ion is coordinated by eight dimethylsulfoxide ligands through the O atoms in the form of a distorted square antiprism. The Ce—O bond lengths range from 2.429 (6 to 2.550 (5 Å. The cohesion of the structure is ensured by S...O [3.115 (6, 3.242 (10 and 3.12 (3 Å], O...O [3.037 (10 Å] and C—H...O interactions between cations and anions. The S and C atoms of a dmso ligand are disordered over three sites in a 0.45:0.30:0.25 ratio. The dimethylsulfoxide solvent molecules are highly disordered and could not be modelled successfully; their contribution was therefore removed from the refinement using the SQUEEZE routine in PLATON [Spek (2009. Acta Cryst. D65, 148–155]. Potential solvent-accessible voids of 500.0 Å3 occur in the crystal structure.

The volumetric and thermochemical properties of Y(ClO4)3 (aq), Yb(ClO4)3 (aq), Dy(ClO4)3 (aq), and Sm(ClO4)3 (aq) at T=(288.15,298.15,313.15, and 328.15) K and p=0.1 MPa

International Nuclear Information System (INIS)

Hakin, Andrew W.; Lukacs, Michael J.; Liu, Jin Lian; Erickson, Kristy; Madhavji, Asha

2003-01-01

Relative densities and relative massic heat capacities have been measured for aqueous solutions of Y(ClO 4 ) 3 , Yb(ClO 4 ) 3 , Dy(ClO 4 ) 3 , and Sm(ClO 4 ) 3 at T=(288.15,298.15,313.15, and 328.15) K and p=0.1 MPa. These measurements were made in the concentration range 0.01624≤m/(mol·kg -1 )≤0.41822 using a Sodev 02D Vibrating Tube Densimeter and a Picker Microflow Calorimeter, respectively. To counter the potential effects of hydrolysis, aqueous solutions of the investigated salts were acidified with perchloric acid. After correcting for the presence of the acid, the measured properties were used to calculate apparent molar volumes and apparent molar heat capacities for solutions of the perchlorate salts in water. The calculated apparent molar properties were modeled at each investigated temperature using Pitzer ion interaction equations to produce estimates of apparent molar volumes and heat capacities at infinite dilution. In addition, the temperature dependences of the apparent molar properties of each salt were found to be well modeled by temperature dependent Pitzer ion interaction equations. The Helgeson, Kirham, and Flowers equations of state were incorporated into the Pitzer ion interaction equations in order to model the infinite dilution properties of the salts. Single ion volumes and heat capacities of the investigated trivalent metal cations have been calculated and compared to previously reported values

First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

KAUST Repository

Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

2014-01-01

Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

KAUST Repository

Feng, Nan

2014-02-05

Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

Multiscale Engineered Si/SiO x Nanocomposite Electrodes for Lithium-Ion Batteries Using Layer-by-Layer Spray Deposition.

Science.gov (United States)

Huang, Chun; Kim, Ayoung; Chung, Dong Jae; Park, Eunjun; Young, Neil P; Jurkschat, Kerstin; Kim, Hansu; Grant, Patrick S

2018-05-09

Si-based high-capacity materials have gained much attention as an alternative to graphite in Li-ion battery anodes. Although Si additions to graphite anodes are now commercialized, the fraction of Si that can be usefully exploited is restricted due to its poor cyclability arising from the large volume changes during charge/discharge. Si/SiO x nanocomposites have also shown promising behavior, such as better capacity retention than Si alone because the amorphous SiO x helps to accommodate the volume changes of the Si. Here, we demonstrate a new electrode architecture for further advancing the performance of Si/SiO x nanocomposite anodes using a scalable layer-by-layer atomization spray deposition technique. We show that particulate C interlayers between the current collector and the Si/SiO x layer and between the separator and the Si/SiO x layer improved electrical contact and reduced irreversible pulverization of the Si/SiO x significantly. Overall, the multiscale approach based on microstructuring at the electrode level combined with nanoengineering at the material level improved the capacity, rate capability, and cycling stability compared to that of an anode comprising a random mixture of the same materials.

Effect of Nb and F Co-doping on Li1.2Mn0.54Ni0.13Co0.13O2 Cathode Material for High-Performance Lithium-Ion Batteries

Directory of Open Access Journals (Sweden)

Lei Ming

2018-04-01

Full Text Available The Li1.2Mn0.54−xNbxCo0.13Ni0.13O2−6xF6x (x = 0, 0.01, 0.03, 0.05 is prepared by traditional solid-phase method, and the Nb and F ions are successfully doped into Mn and O sites of layered materials Li1.2Mn0.54Co0.13Ni0.13O2, respectively. The incorporating Nb ion in Mn site can effectively restrain the migration of transition metal ions during long-term cycling, and keep the stability of the crystal structure. The Li1.2Mn0.54−xNbxCo0.13Ni0.13O2−6xF6x shows suppressed voltage fade and higher capacity retention of 98.1% after 200 cycles at rate of 1 C. The replacement of O2− by the strongly electronegative F− is beneficial for suppressed the structure change of Li2MnO3 from the eliminating of oxygen in initial charge process. Therefore, the initial coulombic efficiency of doped Li1.2Mn0.54−xNbxCo0.13Ni0.13O2−6xF6x gets improved, which is higher than that of pure Li1.2Mn0.54Co0.13Ni0.13O2. In addition, the Nb and F co-doping can effectively enhance the transfer of lithium-ion and electrons, and thus improving rate performance.

Epitaxial growth and properties of YBa2Cu3O(x)-Pb(Zr(0.6)Ti(0.4))O3-YBa2Cu3O(x) trilayer structure by laser ablation

Science.gov (United States)

Boikov, Iu. A.; Esaian, S. K.; Ivanov, Z. G.; Brorsson, G.; Claeson, T.; Lee, J.; Safari, A.

1992-08-01

YBa2Cu3O(x)Pb(Zr(0.6)Ti(0.4))O3-YBa2Cu3O(x) multilayer structure has been grown on SrTiO3 and Al2O3 substrates using laser ablation. The deposition conditions for the growth of trilayers and their properties are studied in this investigation. Scanning electron microscope images and X-ray diffraction analyses indicate that all the constituent films in the trilayer grow epitaxially on SrTiO3 and were highly oriented on Al2O3. Transport measurements on these multilayers show that top YBa2Cu3O(x) films have good superconducting properties.

The OsO(3)F(+) and mu-F(OsO(3)F)(2)(+) cations: their syntheses and study by Raman and (19)F NMR spectroscopy and electron structure calculations and X-ray crystal structures of [OsO(3)F][PnF(6)] (Pn = As, Sb), [OsO(3)F][HF](2)[AsF(6)], [OsO(3)F][HF][SbF(6)], and [OsO(3)F][Sb(3)F(16)].

Science.gov (United States)

Gerken, Michael; Dixon, David A; Schrobilgen, Gary J

2002-01-28

The fluoride ion donor properties of OsO(3)F(2) have been investigated. The salts [OsO(3)F][AsF(6)], [OsO(3)F][HF](2)[AsF(6)], mu-F(OsO(3)F)(2)[AsF(6)], [OsO(3)F][HF](2)[SbF(6)], and [OsO(3)F][HF][SbF(6)] have been prepared by reaction of OsO(3)F(2) with AsF(5) and SbF(5) in HF solvent and have been characterized in the solid state by Raman spectroscopy. The single-crystal X-ray diffraction studies of [OsO(3)F][AsF(6)] (P2(1)/n, a = 7.0001(11) A, c = 8.8629(13) A, beta = 92.270(7) degrees, Z = 4, and R(1) = 0.0401 at -126 degrees C), [OsO(3)F][SbF(6)] (P2(1)/c, a = 5.4772(14) A, b = 10.115(3) A, c = 12.234(3) A, beta = 99.321(5) degrees, Z = 4, and R(1) = 0.0325 at -173 degrees C), [OsO(3)F][HF](2)[AsF(6)] (P2(1)/n, a = 5.1491(9) A, b = 8.129(2) A, c = 19.636(7) A, beta = 95.099(7) degrees, Z = 4, and R(1) = 0.0348 at -117 degrees C), and [OsO(3)F][HF][SbF(6)] (Pc, a = 5.244(4) A, b = 9.646(6) A, c = 15.269(10) A, beta = 97.154(13) degrees, Z = 4, and R(1) = 0.0558 at -133 degrees C) have shown that the OsO(3)F(+) cations exhibit strong contacts to the anions and HF solvent molecules giving rise to cyclic, dimeric structures in which the osmium atoms have coordination numbers of 6. The reaction of OsO(3)F(2) with neat SbF(5) yielded [OsO(3)F][Sb(3)F(16)], which has been characterized by (19)F NMR spectroscopy in SbF(5) and SO(2)ClF solvents and by Raman spectroscopy and single-crystal X-ray diffraction in the solid state (P4(1)m, a = 10.076(6) A, c = 7.585(8) A, Z = 2, and R(1) = 0.0858 at -113 degrees C). The weak fluoride ion basicity of the Sb(3)F(16)(-) anion resulted in an OsO(3)F(+) cation (C(3)(v) point symmetry) that is well isolated from the anion and in which the osmium is four-coordinate. The geometrical parameters and vibrational frequencies of OsO(3)F(+), ReO(3)F, mu-F(OsO(3)F)(2)(+), (FO(3)Os--FPnF(5))(2), and (FO(3)Os--(HF)(2)--FPnF(5))(2) (Pn = As, Sb) have been calculated using density functional theory methods.

Structure evolution upon chemical and physical pressure in (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Tiittanen, T.; Karppinen, M., E-mail: maarit.karppinen@aalto.fi

2017-02-15

Here we demonstrate the gradual structural transformation from the monoclinic I2/m to tetragonal I4/m, cubic Fm-3m and hexagonal P6{sub 3}/mmc structure upon the isovalent larger-for-smaller A-site cation substitution in the B-site ordered double-perovskite system (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6}. This is the same transformation sequence previously observed up to Fm-3m upon heating the parent Sr{sub 2}FeSbO{sub 6} phase to high temperatures. High-pressure treatment, on the other hand, transforms the hexagonal P6{sub 3}/mmc structure of the other end member Ba{sub 2}FeSbO{sub 6} back to the cubic Fm-3m structure. Hence we may conclude that chemical pressure, physical pressure and decreasing temperature all work towards the same direction in the (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6} system. Also shown is that with increasing Ba-for-Sr substitution level, i.e. with decreasing chemical pressure effect, the degree-of-order among the B-site cations, Fe and Sb, decreases. - Graphical abstract: In the (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6} double-perovskite system the gradual structural transformation from the monoclinic I2/m to tetragonal I4/m, cubic Fm-3m and hexagonal P6{sub 3}/mmc structure is seen upon the isovalent larger-for-smaller A-site cation substitution. High-pressure treatment under 4 GPa extends stability of the cubic Fm-3m structure within a wider substitution range of x. - Highlights: • Gradual structural transitions upon A-cation substitution in (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6.} • With increasing x structure changes from I2/m to I4/m, Fm-3m and P6{sub 3}/mmc. • Degree of B-site order decreases with increasing x and A-site cation radius. • High-pressure treatment extends cubic Fm-3m phase stability for wider x range. • High-pressure treatment affects bond lengths mostly around the A-cation.

Dielectric and impedance analysis of Li0.5La0.5Ti1-xZrxO3(x = 0.05 and 0.1 ceramics as improved electrolyte material for lithium-ion batteries

Directory of Open Access Journals (Sweden)

Babu K. Vijaya

2016-09-01

Full Text Available The most attractive property of Li0.5La0.5TiO3 (LLTO electrolytes is their high ionic conductivity. Studies have shown that LLTO is capable of existing in a state with an ionic conductivity of 10-3 S/cm, which is comparable to liquid electrolytes. In addition to the high ionic conductivity of the material, LLTO is electrochemically stable and able to withstand hundreds of cycles. So, the studies of the solid electrolyte material are very important for the development of lithium-ion batteries. In the present paper, Li0.5La0.5Ti1-xZrxO3 (x = 0.05 and 0.1 have been prepared by a solid-state reaction method at 1300 °C for 6 hours to improve electrolyte materials for lithium-ion batteries. The phase identified by X-ray diffractometry and crystal structure corresponds to pm3m (2 2 1 space group (Z = 1. The frequency and temperature dependence of impedance, dielectric permittivity, dielectric loss and electric modulus of the Li0.5La0.5Ti1-xZrxO3 (x = 0.05 and 0.1 have been investigated. The dielectric and impedance properties have been studied over a range of frequency (42 Hz to 5 MHz and temperatures (30 °C to 100 °C. The frequency dependent plot of modulus shows that the conductivity relaxation is of non-Debye type.

Doping effects of Co2+ ions on ZnO nanorods and their photocatalytic properties

International Nuclear Information System (INIS)

Qiu Xiaoqing; Li Guangshe; Sun Xuefei; Li Liping; Fu Xianzhi

2008-01-01

A series of Zn 1-x Co x O nanorods with dopant content ranging from x = 0.00 to 0.10 was prepared by a wet chemical method. All Zn 1-x Co x O samples were investigated by x-ray diffraction, transmission electron microscopy, energy-dispersion x-ray line mapping analysis, and UV-visible absorption spectroscopy. It was found that Co 2+ ions were homogeneously substituted for Zn 2+ ions in ZnO nanorods. Rhodamine B degradation was used as a probe reaction to evaluate the effect of Co 2+ doping on ZnO nanorods and photocatalytic performance under UV light and visible light irradiation. Co 2+ ions acted as the trapping or recombination centers for electrons and holes, leading to a reduction in photodegradation efficiency under UV light illumination. Alternatively, Co 2+ ions enhanced the optical absorption and produced the photoinduced carriers under visible illumination in terms of two charge transfer transitions involving Co 2+ ions. Consequently, Co 2+ ions substituted in the lattice of ZnO nanorods significantly improved the visible light photocatalytic activity

Processes Controlling CH2O Over the Baltimore/Washington DC Metropolitan Region: A Box Model Analysis Using Data from DISCOVER-AQ

Science.gov (United States)

Olson, J. R.; Crawford, J. H.; Fried, A.; Wisthaler, A.; Weinheimer, A. J.; Barrick, J. D.; Diskin, G. S.; Duncan, B. N.; Mikoviny, T.

2012-12-01

The first deployment for NASA's Earth Venture campaign DISCOVER-AQ (Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality) took place over the Baltimore/Washington DC region during July of 2011. Observations of CH2O in the lowest kilometer (pressure-altitude) indicate that median concentrations can vary day to day by as much as 5 ppbv. Further, variability within a single day can correlate with a number of species, including H2O, temperature, isoprene, and/or CO. The NASA Langley photochemical box model is used to examine the dominant budget terms for CH2O during DISCOVER-AQ and to diagnose the drivers of the CH2O variability. Modeling results show that the source of CH2O is largely dominated by isoprene. However, the variability of CH2O within single flight days is rarely directly correlated to isoprene. Rather, most often, CH2O variability is correlated to the oxidative capacity of the atmosphere, defined by OH and driven by OH precursors such as H2O, O3 photolysis rates, and NO. Sensitivity model runs where isoprene is held constant to daily medians show excellent ability to predict both the overall CH2O concentration (dominated by isoprene) and the variability of CH2O throughout a day (driven by variations in oxidative capacity).

Energies, fine structures, and transitions of the core-excited sextet states "6S"e","o(n) and "6P"e","o(n) (n=1–5) of B-like ions

International Nuclear Information System (INIS)

Sun, Yan; Liu, Dong Dong; Mei, Mao Fei; Zhang, Chun Mei; Han, Chong; Hu, Feng; Gou, Bing Cong

2015-01-01

A comprehensive theoretical study of atomic characteristics of energy levels and transitions for the core-excited "6S"e","o(n) and "6P"e","o(n) (n=1–5) states of the boron isoelectronic sequence (Z=6–14) are investigated by the Rayleigh–Ritz variation method and multi-configuration interaction wavefunctions. The relativistic corrections and mass polarization effects are included by first-order perturbation theory. The configuration structures of the high-lying sextet series "6S"e","o(n) and "6P"e","o(n) (n=1–5) of the B-like ions are assigned. The transition rates and wavelengths for the electric dipole transitions "6S"e","o(n)—"6P"o","e(n) (n=1–5) of the B-like ions are calculated and compared with currently available theoretical and experimental data. Furthermore, the radiative transition rates and wavelengths for the important dipole transitions are discussed with the increase of nuclear charge number Z. The calculations will provide useful data for identification of spectral lines arising from the solar atmosphere and the experimental study in future work. - Highlights: • Energy and transition data of core-excited sextet states of B-like ions are studied. • Relativistic corrections, mass polarization effects are included in the calculation. • Radiative rates and transition wavelengths are discussed with the increase of Z. • Variation trend of transition rates and wavelengths are present with the n increase. • Some energy levels and transition data are reported for the first time.

Thermal Expansion and Luminescent Properties of Triorthogermanates CaLa2- x Eu x Ge3O10 ( x = 0.0-0.6)

Science.gov (United States)

Lipina, O. A.; Surat, L. L.; Baklanova, Ya. V.; Berger, I. F.; Tyutyunnik, A. P.; Zubkov, V. G.

2018-02-01

Solid solutions CaLa2- x Eu x Ge3O10 ( x = 0.0-0.6, Δ x = 0.1) have been synthesized for the first time. The compounds are isostructural to CaLa2Ge3O10, they crystallize in the monoclinic system, space group P21/ c, Z = 4. The low-temperature X-ray diffraction studies have revealed the strain anisotropy of germanate CaLa2Ge3O10 crystal lattice in the temperature range 80-298 K, and the linear thermal expansion coefficients have been calculated. The optical properties of the activated phases have been studied, and the influence of the dopant concentration and the excitation wavelength on the luminescence characteristics of the synthesized compounds has been established.

Antiferromagnetic ordering states of oxygen-deficient NdBa₂Cu₃O_6+x and Nd_1+yBa_2-yCu₃O_6+x single crystals

DEFF Research Database (Denmark)

Brecht, E.; Schweiss, P.; Wolf, T.

1999-01-01

The paper describes a study of the antiferromagnetic ordering of oxygen-deficient Nd1 + yBa2 - yCu3O6 + x single crystals. In pure, stoichiometric samples, y = 0, with different oxygen contents x in the Cu(1) plane (0.02AFI) phase appears to be stable down to 316 m...... of this reordering suggests that the Nd3+ ions on Ba sites are very effective defects forcing the AFIAFII reordering. The mechanism of reordering is explained in terms of the creation of Cu2+ moments within the Cu(1) layer due to the Nd3+ ions on Ba sites, which via polarization lead to an effective ferromagnetic...

Structural, electronic and magnetic properties of the series of double perovskites (Ca,Sr){sub 2−x}La{sub x}FeIrO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Bufaiçal, L., E-mail: lbufaical@ufg.br [Instituto de Física, Universidade Federal de Goiás, 74001-970 Goiânia, GO (Brazil); Adriano, C. [Instituto de Física “Gleb Wataghin”, UNICAMP, 13083-859 Campinas, SP (Brazil); Lora-Serrano, R. [Instituto de Física, Universidade Federal de Uberlândia, 38400-902 Uberlândia, MG (Brazil); Duque, J.G.S. [Núcleo de Física, Universidade Federal de Sergipe, Campus Itabaiana, 49500-000 Itabaiana, SE (Brazil); Mendonça-Ferreira, L. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-170 Santo André, SP (Brazil); Rojas-Ayala, C.; Baggio-Saitovitch, E.; Bittar, E.M. [Centro Brasileiro de Pesquisas Físicas, 22290-180 Rio de Janeiro, RJ (Brazil); Pagliuso, P.G. [Instituto de Física “Gleb Wataghin”, UNICAMP, 13083-859 Campinas, SP (Brazil)

2014-04-01

Polycrystalline samples of the series of double perovskites Sr{sub 2−x}La{sub x}FeIrO{sub 6} were synthesized. Their structural, electronic and magnetic properties were investigated by X-ray powder diffraction, Mössbauer spectroscopy, magnetic susceptibility, heat capacity and electrical resistivity experiments. The compounds crystallize in a monoclinic structure and were fitted in space group P2{sub 1}/n, with a significant degree of Fe/Ir cationic disorder. As in Ca{sub 2−x}La{sub x}FeIrO{sub 6} the Sr-based system seems to evolve from an antiferromagnetic ground state for the end members (x=0.0 and x=2.0) to a ferrimagnetic order in the intermediate regions (x∼1). Since Mössbauer spectra indicate that Fe valence remains 3+ with doping, this tendency of change in the nature of the microscopic interaction could be attributed to Ir valence changes, induced by La{sup 3+} electrical doping. Upon comparing both Ca and Sr series, Sr{sub 2−x}La{sub x}FeIrO{sub 6} is more structurally homogenous and presents higher magnetization and transition temperatures. Magnetic susceptibility measurements at high temperatures on Sr{sub 1.2}La{sub 0.8}FeIrO{sub 6} indicate a very high ferrimagnetic Curie temperature T{sub C}∼700K. For the Sr{sub 2}FeIrO{sub 6} compound, electrical resistivity experiments under applied pressure suggest that this material might be a Mott insulator. - Graphical abstract: The Weiss constant as a function of La doping for the (Ca,Sr){sub 2−x}La{sub x}FeIrO{sub 6} series, indicating changes in Fe–Ir magnetic coupling on both families. - Highlights: • The double perovskite series (Ca,Sr){sub 2−x}La{sub x}FeIrO{sub 6} were synthesized. • Changes in the Fe-Ir magnetic coupling due to La doping on both series. • Evidence of high T{sub C} on Sr{sub 1.2}La{sub 0.8}FeIrO{sub 6}. • Indication of Mott insulator behavior on Sr{sub 2}FeIrO{sub 6}.

Spectroscopic features of Ni(2+) ion in PbO-Bi2O3-SiO2 glass system.

Science.gov (United States)

Suresh, B; Srinivasa Reddy, M; Siva Sesha Reddy, A; Gandhi, Y; Ravi Kumar, V; Veeraiah, N

2015-04-15

Glasses of the composition (30-x)PbO-5Bi2O3-65SiO2: xNiO (with x ranging from 0 to 1.0 mol%) were synthesized. A variety of spectroscopic studies, viz., IR, Raman optical absorption and luminescence properties of these glasses have been carried out as a function of NiO concentration. The analysis of results of all these studies has indicated that the nickel ions occupy both octahedral and tetrahedral positions. However, with the increase of NiO concentration the octahedral occupancy of Ni(2+) ions prevailed over the tetrahedral ions. The luminescence spectra of these glasses have exhibited a broad NIR emission band in region 1100-1500 nm. This band is identified as being due to (3)T2(3F)→(3)A2(3F) octahedral transition of Ni(2+) ions. The luminescence efficiency and cross section have been found to be the highest for the glass containing the highest concentration of NiO. The reasons for such high luminescence efficiency have been discussed in the light of structural variations taking place in the host glass network. Copyright © 2015 Elsevier B.V. All rights reserved.

Crystal structure and dynamics of K2-x(NH4)xSeO4 mixed crystals studied by x-ray and neutron scattering

International Nuclear Information System (INIS)

Smirnov, L.S.; Natkaniec, I.; Loose, A.

2006-01-01

The K 2-x (NH 4 ) x SeO 4 mixed crystals have been studied by powder X-ray and neutron diffraction and inelastic incoherent neutron scattering in a wide temperature range from 300 to 16 K. No phase transition is observed in (NH 4 ) 2 SeO 4 in the range from room temperature to 20 K. The reorientation potential barriers of ammonium ions in the K 2-x (NH 4 ) x SeO 4 mixed crystals increase with the increasing concentration of ammonium ions

Ion-irradiation-induced phase transformation in rare earth sesquioxides (Dy2O3,Er2O3,Lu2O3)

International Nuclear Information System (INIS)

Tang, M.; Lu, P.; Valdez, J.A.; Sickafus, K.E.

2006-01-01

Polycrystalline pellets of cubic C-type rare earth structure (Ia3) Dy 2 O 3 , Er 2 O 3 , and Lu 2 O 3 were irradiated at cryogenic temperature (120 K) with 300 keV Kr ++ ions to a maximum fluence of 1x10 20 Kr/m 2 . Irradiated specimens were examined using grazing incidence x-ray diffraction and transmission electron microscopy. Ion irradiation leads to different radiation effects in these three materials. First, Dy 2 O 3 begins to transform to a monoclinic B-type rare earth structure (C2/m) at a peak dose of ∼5 displacements per atom (dpa) (corresponding to a fluence of 2x10 19 Kr/m 2 ). This transformation is nearly complete at a peak dose of 25 dpa (a fluence of 1x10 20 Kr/m 2 ). Er 2 O 3 also transforms to the B-type structure, but the transformation starts at a higher irradiation dose of about 15-20 dpa [a fluence of about (6-8)x10 19 Kr/m 2 ]. Lu 2 O 3 was found to maintain the C-type structure even at the highest irradiation dose of 25 dpa (a fluence of 1x10 20 Kr/m 2 ). No C-to-B transformation was observed in Lu 2 O 3 . The irradiation dose dependence of the C-to-B phase transformation observed in Dy 2 O 3 , Er 2 O 3 , and Lu 2 O 3 is closely related to the temperature dependence of the C-to-B phase transformation found in phase diagrams for these three materials

Dependence of Tc on the oxygen distribution in the Cu-O chains in the high temperature superconductors YBa2Cu3O6+x

International Nuclear Information System (INIS)

Uimin, G.V.; Gantmakher, V.F.; Neminsky, A.M.; Novomlinsky, L.A.; Shovkun, D.V.; Bruell, P.

1992-01-01

It is experimentally confirmed that in YBa 2 Cu 3 O 6+x ceramics with x fixed within the range 0.4-0.5 the temperature of the superconducting transition Tc can be appreciably reduced by quenching a sample from moderate temperatures between 50degC and 200degC. The theory developed for the description of the ensemble of Cu-O-... chain fragments in orthorhombic phase is applied for the explanation of the experimental results, which can be interpreted as follows. In ortho-II phase the oxygen filling factors in oxygen deficient Cu(1) planes alternate from row to row. Alternation decreases with temperature increasing. Redistribution of the oxygen ions between the rows increases the fraction of short Cu-O-... chain fragments which cannot inject holes into CuO 2 planes. This diminishes the hole concentration in the Cu(2) planes and, hence, Tc. Near 150degC the sample undergoes the second order transition into ortho-I phase where rows are equally filled with oxygen. Further increasing of the temperature does not reveal an appreciable reduction of Tc. A comparison of the experiment with the simplest model is performed. (orig.)

Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} luminescence whisker based on vapor-phase deposition: Facile synthesis, uniform morphology and enhanced luminescence properties

Energy Technology Data Exchange (ETDEWEB)

Xu, Jian, E-mail: xujian@stu.xmu.edu.cn [Department of Materials Science and Engineering, Xiamen University, Xiamen 361005 (China); Hassan, Dhia A. [Department of Materials Science and Engineering, Xiamen University, Xiamen 361005 (China); Department of Chemistry, College of Education for Pure Science, University of Basrah, 61004 (Iraq); Zeng, Renjie; Peng, Dongliang [Department of Materials Science and Engineering, Xiamen University, Xiamen 361005 (China); Fujian Key Lab of Advanced Special Material, Xiamen University, Xiamen 361005 (China); Key Laboratory of High Performance Ceramic Fibers, Ministry of Education, Xiamen 361005 (China)

2015-11-15

Highlights: • For the first time, it is possible to obtain Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} whisker. • The whiskers are smooth and uniform with L/D ratio over 50. • Durability and thermal stability of the whisker are enhanced. - Abstract: A high performance strontium silicate phosphor has been successfully synthesized though a facile vapor-phase deposition method. The product consists of single crystal whiskers which are smooth and uniform, and with a sectional equivalent diameter of around 5 μm; the aspect ratio is over 50 and no agglomeration can be observed. X-ray diffraction result confirmed that the crystal structure of the whisker was α’-Sr{sub 2}SiO{sub 4}. The exact chemical composition was Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} which was analyzed by energy dispersive spectrometer and inductively coupled plasma-mass spectrometer. The whisker shows broad green emission with peak at 523 nm ranging from 470 to 600 nm (excited at 370 nm). Compared with traditional Sr{sub 2}SiO{sub 4}:Eu phosphor, durability (at 85% humidity and 85 °C) and thermal stability of the whisker are obviously improved. Moreover, growth mechanism of the Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} whiskers is Vapor–Liquid–Solid. On a macro-scale, the product is still powder which makes it suitable for the current packaging process of WLEDs.

Dynamics of Li+ ions in Li2O-TeO2-P2O5 glasses

Science.gov (United States)

Chatterjee, A.; Ghosh, A.

2018-04-01

In the present work we have studied transport properties of lithium ions in 0.3Li2O-0.7[xTeO2-(1-x)P2O5] glasses, where x=0.5, 0.6, 0.7. We have measured acconductivity for a wide range offrequency and temperature. The real part of the conductivity spectra has been analyzed by the power law in Almond-West formalism. The dc conductivity has been obtained from the complex impedance plots. We have found that dc conductivity increases and activation energy decreases on increase of TeO2 for a particular Li2O content. We have also found that the dc conductivity and crossover frequency obey Arrhenius relation. The time temperature superposition has been verified using the scaling formalism of the conductivity spectra. We have found that the conductivity isotherms scaled to a single master curve with suitable scaling parameters for a particular composition at different temperatures. However the scaling to a single master curve fails for different compositions at a particular temperature.

Synthesis and characterization of CeO2-TiO2-Pr6O11 solid solutions for environmentally benign nontoxic red pigments

International Nuclear Information System (INIS)

George, Giable; Rao, Padala Prabhakar; Reddy, Mundlapudi Lakshmipathi

2006-01-01

New inorganic pigments Ce 1-(x+y) Ti x Pr y O 2 (x ranges from 0.05 to 0.195 and y ranges from 0.005 to 0.15) based on CeO 2 -TiO 2 -Pr 6 O 11 solid solutions have been synthesized by solid-state route with a goal of preparing environmentally secure red colorants. Characterizations using XRD, UV-vis spectroscopy and CIE 1976 color coordinates assessment reveals the formation of pigments displaying colors ranging from brick red to dark brown. The coloring mechanism is based on the introduction of additional electronic level of energy in the cerianite forbidden band from the unpaired 4f electron of lanthanide ion. (author)

Synthesis and Electrochemical Performance of Graphene Wrapped SnxTi1−xO2 Nanoparticles as an Anode Material for Li-Ion Batteries

Directory of Open Access Journals (Sweden)

Xing Xin

2015-01-01

Full Text Available Ever-growing development of Li-ion battery has urged the exploitation of new materials as electrodes. Here, SnxTi1-xO2 solid-solution nanomaterials were prepared by aqueous solution method. The morphology, structures, and electrochemical performance of SnxTi1-xO2 nanoparticles were systematically investigated. The results indicate that Ti atom can replace the Sn atom to enter the lattice of SnO2 to form substitutional solid-solution compounds. The capacity of the solid solution decreases while the stability is improved with the increasing of the Ti content. Solid solution with x of 0.7 exhibits the optimal electrochemical performance. The Sn0.7Ti0.3O2 was further modified by highly conductive graphene to enhance its relatively low electrical conductivity. The Sn0.7Ti0.3O2/graphene composite exhibits much improved rate performance, indicating that the SnxTi1-xO2 solid solution can be used as a potential anode material for Li-ion batteries.

Features of the structure of phospho- and arsenouranic acids of the composition of HPUO2x4H2O and HAsUO6x4H2O

International Nuclear Information System (INIS)

Chernorukov, N.G.; Karyakin, N.V.; Chernorukov, G.N.

1994-01-01

The structure of crystal phases of the composition HPUO 6 x4H 2 O and HAsUO 6 x4H 2 O has been studied using the methods of IR spectroscopy, thermography, X-ray phase analysis and calorimetry. The nature and binding energy of water within the compounds mentioned are determined. 10 refs., 2 figs

Synthesis of hollandite-type Li yMn 1- xCo xO 2 (x = 0-0.15) by Li + ion-exchange in molten salt and the electrochemical property for rechargeable lithium battery electrodes

Science.gov (United States)

Kumagai, Naoaki; Oshitari, Satoru; Komaba, Shinichi; Kadoma, Yoshihiro

The Li + ion-exchange reaction of K +-type α-K 0.14MnO 1.93·0.18H 2O and its Co-doped α-K 0.14(Mn 0.85Co 0.15)O 1.96·0.21H 2O with a large (2 × 2) tunnel structure has been investigated in a LiNO 3/LiCl molten salt at 300 °C. The Li + ion-exchanged products were examined by chemical analysis, X-ray diffraction, and scanning and transmission electron microscopic measurements. Almost all the K + ions and the hydrogens of water molecules in the (2 × 2) tunnel of α-MnO 2 and its Co-doped one were exchanged by Li + ions in the molten salt, resulting in Li +-type α-MnO 2 and its Co-doped one containing Li + ions as well as Li 2O (lithium oxide) in the (2 × 2) tunnel with maintaining the original hollandite structure. The electrochemical properties including charge-discharge cycling of the Li + ion-exchanged α-MnO 2 and its Co-doped samples have been investigated as insertion compounds in the search for new cathode materials for rechargeable lithium batteries. The Li + ion-exchanged α-MnO 2 and its Co-doped samples provided higher capacities than the K +-type parent materials on initial discharge and charge-discharge cyclings, probably due to the structural stabilization with the existence of Li 2O in the (2 × 2) tunnels.

Crystal structures of the double perovskites Ba2Sr1-x Ca x WO6

International Nuclear Information System (INIS)

Fu, W.T.; Akerboom, S.; IJdo, D.J.W.

2007-01-01

Structures of the double perovskites Ba 2 Sr 1- x Ca x WO 6 have been studied by the profile analysis of X-ray diffraction data. The end members, Ba 2 SrWO 6 and Ba 2 CaWO 6 , have the space group I2/m (tilt system a 0 b - b - ) and Fm3-barm (tilt system a 0 a 0 a 0 ), respectively. By increasing the Ca concentration, the monoclinic structure transforms to the cubic one via the rhombohedral R3-bar phase (tilt system a - a - a - ) instead of the tetragonal I4/m phase (tilt system a 0 a 0 c - ). This observation supports the idea that the rhombohedral structure is favoured by increasing the covalency of the octahedral cations in Ba 2 MM'O 6 -type double perovskites, and disagrees with a recent proposal that the formation of the π-bonding, e.g., d 0 -ion, determines the tetragonal symmetry in preference to the rhombohedral one. - Graphical abstract: Enlarged sections showing the evolution of the basic (222) and (400) reflections in Ba 2 Sr 1- x Ca x WO 6 . Tick marks below are the positions of Bragg's reflections calculated using the space groups I2/m (x=0), R3-bar (x=0.25, 0.5 and 0.75) and Fm3-barm (x=1), respectively

Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal

Science.gov (United States)

Platunov, M. S.; Dudnikov, V. A.; Orlov, Yu. S.; Kazak, N. V.; Solovyov, L. A.; Zubavichus, Ya. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Ovchinnikov, S. G.

2016-02-01

X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Co K-edge and Gd L 3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L 3-edge is due to an increase in the degree of hybridization of the Gd(5 d) and O(2 p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.

Electron delocalization in cyanide-bridged coordination polymer electrodes for Li-ion batteries studied by soft x-ray absorption spectroscopy

NARCIS (Netherlands)

Asakura, Daisuke; Okubo, Masashi; Mizuno, Yoshifumi; Kudo, Tetsuichi; Zhou, Haoshen; Amemiya, Kenta; de Groot, Frank M. F.; Chen, Jeng-Lung; Wang, Wei-Cheng; Glans, Per-Anders; Chang, Chinglin; Guo, Jinghua; Honma, Itaru

2011-01-01

The electronic structure change during the reversible Li-ion storage reaction in a bimetallic MnFe-Prussian blue analogue (Li(x)K(0.14)Mn(1.43)[Fe(CN)(6)] center dot 6H(2)O) was investigated by soft x-ray absorption spectroscopy. The Mn L(2,3)-edgespectra revealed the unchanged Mn(2+) high-spin

Synthesis of Li{sub 2}Si{sub 2}O{sub 5}-coated LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2} cathode materials with enhanced high-voltage electrochemical properties for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Liu, Shengjie; Wu, Hao; Huang, Ling; Xiang, Mingwu; Liu, Heng; Zhang, Yun, E-mail: y_zhang@scu.edu.cn

2016-07-25

Ni-rich ternary layered oxides, (LiNi{sub x} [M]{sub 1−x}O{sub 2}, x ≥ 0.5, M = Co and Mn), have become one of the mainstream cathode materials for next-generation lithium-ion batteries due to their high capacity and cost efficiency compared with LiCoO{sub 2}. However, the high-voltage operation of the Ni-rich oxides (>4.3 V) required for high capacity is inevitably accompanied with a rapid capacity decay over numerous cycles. In this work, we reported a surface coating of LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2} with Li{sub 2}Si{sub 2}O{sub 5}via a facile and efficient synthetic approach, which involves the employment of silicic acid (H{sub 2}SiO{sub 3}) as remover to react with the surface residual lithium compounds (e.g. Li{sub 2}CO{sub 3} and LiOH) of LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2} and consequent formation of a robust and complete Li{sup +}-conductive Li{sub 2}Si{sub 2}O{sub 5} protective coating layer. The structure and morphology of the coated cathode materials are fully characterized by using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). Compared with the pristine LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2}, coating with the Li{sup +}-conductive Li{sub 2}Si{sub 2}O{sub 5} is found to be very effective for improving the rate capability of the LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2} when evaluated at a high cut-off voltage up to 4.5 V. Specifically, 1 wt. % H{sub 2}SiO{sub 3}-treated LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2} electrode exhibits high discharge specific capacities of 213.9 and 121.6 mAh g{sup −1} at 0.1 and 10 C, respectively, whereas the pristine electrode only shows 196.8 and 92.1 mAh g{sup −1}. Besides, the surface-modified LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2} electrode also manifests an enhanced long-term cycling stability (67% capacity retention after 200 cycles at 5 C), much better than the pristine

Role of BaO/SrO layers in deciding the electronic structure of Cu0.3Co0.7Ba2-xSrxYCu2O7+δ (CoCu-1212) x = 0, 1 and 2

International Nuclear Information System (INIS)

Singh, Shiva Kumar; Husain, M.; Kishan, H.; Awana, V.P.S.

2011-01-01

Highlights: → Decrease in lattice parameters confirms replacement by Sr ion at Ba ion site. → XPS measurement shows that mixed Cu 1+/2+ and Co 3+/4+ valence state. → With increasing x, Cu valence is non-monotonous whereas Co valence is increasing. → Resistivity reveals that holes in Cu/CoO x planes are taking part in charge transport. → Paramagnetic nature is due to the presence Cu ions in Cu/CoO x chains/planes. - Abstract: In this paper we report the change in electronic structure of Cu 0.3 Co 0.7 Ba 2-x Sr x YCu 2 O 7+δ with change in structural pressure. Rietveld refined X-ray diffraction (XRD) pattern shows that the samples are phase pure. Decrease in lattice parameters with increasing x, confirms replacement by Sr ion at Ba ion site. The calculated tolerance factor of the systems is in accord with lattice parameter changes. The X-ray photoelectron spectroscopy (XPS) is made to find out the variation in ionic state of Co and Cu with ionic size variation in BaO/SrO layers. Effect of the same on the electronic structure and transport properties is explored. The XPS measurement reveals that Cu is in mixed 1+/2+ state and variation in valence state is non-monotonous with increasing x. Whereas Co is in mixed 3+/4+ state and with increasing x its valence state is increasing. The observed changes in electronic structure are subject of structural changes. The resistivity measurement shows that normal state conductivity decreases with increasing x. Resistivity behaviour indicates about holes in Cu/CoO x planes taking part in charge transport. The magnetic measurement (M-T and M-H) shows that paramagnetic nature for all the compositions. The presence of Cu ions in Cu/CoO x chains/planes results in paramagnetic behaviour.

A study of magnetoplumbite-type (M-type) cobalt-titanium-substituted barium ferrite, BaCo{sub x}Ti{sub x}Fe{sub 12-2x}O{sub 19} (x = 1-6)

Energy Technology Data Exchange (ETDEWEB)

Teh, G.B. [Department of Bioscience and Chemistry, Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, 53300 Kuala Lumpur (Malaysia)], E-mail: tehgb@mail.utar.edu.my; Saravanan, N. [Department of Bioscience and Chemistry, Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, 53300 Kuala Lumpur (Malaysia); Jefferson, D.A. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

2007-10-15

Cobalt(II)-titanium(IV)-substituted barium ferrite forming the chemical formula of BaCo{sub x}Ti{sub x}Fe{sub 12-2x}O{sub 19} (x = 1-6) have been investigated using X-ray diffraction spectroscopy (XRD), Superconducting Quantum Interference Device (SQUID) and high-resolution transmission electron microscopy (HRTEM). The specimen of magnetoplumbite (M-type) Co-Ti-substituted BaFe{sub 12}O{sub 19} were synthesised via sol-gel method using ethylene glycol as precursor. Significant increase in line broadening of the XRD patterns were observed indicating the decrease of particle sizes due to the Co(II)-Ti(IV) substitution. BaCo{sub 3}Ti{sub 3}Fe{sub 6}O{sub 19} showed the highest coercivity but moderate saturation and remnant magnetisations. HRTEM imaging showed that Co(II)-Ti(IV) substitution in the system of BaCo{sub x}Ti{sub x}Fe{sub 12-2x}O{sub 19} (x = 1-6) produced no drastic change in the structure of the M-type ferrites. Most of the M-types crystals examined by HRTEM displayed a long axis perpendicular to the c-axis of the M-type structure. Disordered crystals showing the intergrowth between Co-Ti-substituted barium ferrite and the spinel-structured iron oxide were detected.

Enthalpies of formation of layered LiNixMnxCo1-2xO2 (0 ≤ x ≤ 0.5) compounds as lithium ion battery cathode materials

International Nuclear Information System (INIS)

Masoumi, Maryam; Cupid, Damian M.; Reichmann, Thomas L.; Seifert, Hans J.; Chang, Keke; Music, Denis; Schneider, Jochen M.

2017-01-01

Layer-structured mixed transition metal oxides with the formula LiNi x Mn x Co 1-2x O 2 (0 ≤ x ≤ 0.5) are considered as important cathode materials for lithium-ion batteries. In an effort to evaluate the relative thermodynamic stabilities of individual compositions in this series, the enthalpies of formation of selected stoichiometries are determined by high temperature oxide melt drop solution calorimetry and verified by ab-initio calculations. The measured and calculated data are in good agreement with each other, and the results show that LiCoO 2 -LiNi 0.5 Mn 0.5 O 2 solid solution approaches ideal behavior. By increasing x, i.e. by equimolar substitution of Mn 4+ and Ni 2+ for Co 3+ , the enthalpy of formation of LiNi x Mn x Co 1-2x O 2 from the elements becomes more exothermic, implying increased energetic stability. This conclusion is in agreement with the literature results showing improved structural stability and cycling performance of Ni/Mn-rich LiNi x Mn x Co 1-2x O 2 compounds cycled to higher cut-off voltages.

Absence of intrinsic ferromagnetism in Zn1-xMnxO alloys

International Nuclear Information System (INIS)

Zhang Huawei; Shi Erwei; Chen Zhizhan; Liu Xuechao; Xiao Bing

2006-01-01

Zn 1-x Mn x O alloys, with different Mn concentrations, were prepared by the hydrothermal method. X-ray diffraction and electron paramagnetic resonance spectra demonstrate that Zn 2+ ions are homogeneously substituted by Mn 2+ ions without changing the ZnO wurtzite structure. The x = 0.02 and 0.04 samples are paramagnetic. When the Mn concentrations are increased to x = 0.08 and 0.10, the samples exhibit some ferromagnetism due to a secondary phase (Zn,Mn)Mn 2 O 4 . (letter to the editor)

L-shell ionization in Au by O5+ -and Ni5+ -ion impact

International Nuclear Information System (INIS)

Goyal, D.P.; Singh, B.P.; Verma, H.R.

1995-01-01

The L X-ray production cross sections in gold by 60 to 72 MeV O 5+ ions and 58 to 87 MeV Ni 5+ -ions have been measured. The L-subshell ionization cross sections derived from these experimental results have been compared with the direct ionization theories viz. plane wave Born approximation (PWBA) theory and modified perturbed-stationary-state theory with energy loss, Coulomb deflection and relativistic effects (MECPSSR). A new procedure has been described to account for the change in the yield ratio Lβ 1 /Lβ 2.15 with energy, for Ni 5+ -ion impact on gold. The L sub-shell ionization cross sections have been derived from Lβ 1 , Lβ 4 and Lβ 2.15 lines of the Lβ group in addition to those calculated by the conventional Datz TRY3 technique using Lα, Lγ 1 and Lγ 2.3 X-ray lines. From the shift in the energies of various L X-ray lines and changes in their intensities, 3 and 5 spectator vacancies in the M-and N-shells in gold have been estimated with O 5+ -ion impact while 7, 20 and 4 to 6 spectator vacancies have been inferred in the M-, N- and O-shells respectively with Ni 5+ -ion impact in the energy range of the projectiles undertaken in the present studies. (orig.)

Processing-property relations in YBa2Cu3O(6+x) superconductors

Science.gov (United States)

Safari, A.; Wachtman, J. B., Jr.; Parkhe, V.; Caracciolo, R.; Jeter, D.

Processing of YBa2Cu3O(6+x) superconducting samples by employing different precursor powder preparation techniques such as ball milling, attrition milling, and narrow particle size distribution powder preparation through coprecipitation by spraying will be discussed. CuO coated with oxalates shows the lowest resistance above Tc up to room temperature. The extent of corrosion by water has been studied by employing magnetic susceptibility, XPS, and X-ray diffraction. Superconducting samples are affected to a considerable extent when treated in water at 60 C and the severity of the attack increases with time.

Processing and characterization of Sr{sub 2−x}VMoO{sub 6−δ} double perovskites

Energy Technology Data Exchange (ETDEWEB)

Weisentein, A.J., E-mail: a.weisenstein@gmail.com [Department of Mechanical and Industrial Engineering, Montana State University, Bozeman, MT 59717-3800 (United States); Childs, N., E-mail: nick.childs@msu.montana.edu [Department of Physics, Montana State University, Bozeman, MT 59717-3804 (United States); Amendola, R., E-mail: roberta.amendola@coe.montana.edu [Department of Chemical and Biological Engineering, Montana State University, Bozeman, MT 59717-3920 (United States); Driscoll, D., E-mail: davidrobertdriscoll@gmail.com [Department of Mechanical and Industrial Engineering, Montana State University, Bozeman, MT 59717-3800 (United States); Sofie, S.W., E-mail: ssofie@me.montana.edu [Department of Mechanical and Industrial Engineering, Montana State University, Bozeman, MT 59717-3800 (United States); Gannon, P., E-mail: pgannon@coe.montana.edu [Department of Chemical and Biological Engineering, Montana State University, Bozeman, MT 59717-3920 (United States); Smith, R., E-mail: smith@physics.montana.edu [Department of Physics, Montana State University, Bozeman, MT 59717-3804 (United States)

2013-05-15

In this study, the analysis and characterization of the processing and sintering of Sr{sub 2−x}VMoO{sub 6−δ} perovskites, where x = 0.0, 0.1 and 0.2, was investigated with application potential in high temperature fuel cell electrodes and electro-catalysts. Sr{sub 2−x}VMoO{sub 6−δ} substrates were sintered in a reducing (5%H{sub 2} 95%N{sub 2}) atmosphere at 1100 °C, 1200 °C, and 1300 °C. The X-ray diffraction patterns indicate that the double perovskite is the primary phase for Sr{sub 2−x}VMoO{sub 6−δ} pellets sintered at 1200 °C and 1300 °C for 20 h; however, these pellets show a secondary phase of SrMoO{sub 4−δ}. X-ray photoelectron spectroscopy revealed a deficiency of vanadium on the pellet surfaces, in which samples yielded surface vanadium concentrations of less than 5%. The vanadium inhomogeneity can be explained by the formation of the SrMoO{sub 4−δ} scheelite phase (ABO{sub 4}) due to oxygen exposure on the surface of the pellets, which indicates inward vanadium migration to the bulk, and was exhibited in redox cycling. Sr{sub 2−x}VMoO{sub 6−δ} pellets sintered at 1300 °C showed the lowest resistivity at both SOFC operating temperature (800 °C) and room temperature. The resistivity tests also show a semiconductor to metallic transition for all double perovskites, from heating up to 800 °C to cooling down to room temperature in a reducing atmosphere, related to the reduction of Mo{sup 6+} to Mo{sup 4+}. - Highlights: ► Primary Sr{sub 2−x}VMoO{sub 6−δ} phase only shown to form in excess of 1300 °C in reducing. ► Surface formation of secondary phase SrMoO{sub 4−δ} (Mo{sup 6+}) observed at RT in air. ► Surface vanadium deficiency induced by inward atomic diffusion. ► Semiconductor to metallic transition is related to the reduction of Mo{sup 6+} to Mo{sup 4+}.

Synthesis and electrochemical properties of Ni doped spinel LiNi (subx)Mn (sub2-x)O(sub)4 (0 ≤ x ≤ 0.5) cathode materials for Li-Ion battery

CSIR Research Space (South Africa)

Kebede, MA

2012-10-01

Full Text Available Spherical pristine LiMn(sub2)O(sub 4) and Ni doped LiNixMn(sub2-x)O(sub)4 (x=0.1, 0.2, 0.3, 0.4, 0.5) cathode materials for lithium ion battery with high first cycle discharge capacity and excellent cycle performance were synthesized using...

Double channel electrode flow cell application to the study of HO2- production on Mn xCo3-xO4 (0 ≤ x ≤ 1) spinel films

International Nuclear Information System (INIS)

Rios, E.; Reyes, H.; Ortiz, J.; Gautier, J.L.

2005-01-01

We conducted a study on the electroreduction of O 2 in alkaline solution at room temperature on pure thin oxide electrodes of composition Mn x Co 3-x O 4 (0 ≤ x ≤ 1) using the double channel electrode flow cell (DCEFC). The oxides were prepared at 150 deg. C and deposited by spray pyrolysis onto titanium substrates. The oxygen reduction reaction (orr) occurs through 'interactive' and 'parallel' pathways, and the ratio of O 2 molecules reduced to OH - ions with respect to those reduced to HO 2 - ions depends on the oxide stoichiometry and on the applied overpotential. The formation of HO 2 - increases when the manganese concentration increases. The results obtained for the orr show that the number of electrons transferred per O 2 molecule decreases from 3 to 2 and the ratio k 1 /k 2 (the rate constants for direct reduction to OH - and indirect reduction to HO 2 - ) increases, respectively, in the overpotential studied range (-0.05 to -0.6 V). The Mn 3+ ions placed in the B-sites of the spinel structure seem to be the active centres, where hydrogen peroxide is formed

Ion-beam-driven amorphization of Ca2La8(SiO4)6O2 single crystals

International Nuclear Information System (INIS)

Weber, W.J.; Hess, N.J.; Wang, L.M.

1993-11-01

Single crystals of Ca 2 La 8 (SiO 4 ) 6 O 2 , with 1% Nd substituted for La, were irradiated with 0.8 MeV Ne + and 1.5 MeV Kr + ions from 15 to 773 K. The irradiations were carried out using the HVEM-Tandem Facility at Argonne National Laboratory. The structural changes and the ion fluence for complete amorphization were determined by in situ transmission electron microscopy. The ion fluence for complete amorphization increased with temperature in two stages associated with defect annealing processes. The critical temperature for amorphization increased from ∼360 K for 0.8 MeV Ne + to ∼710 K for 1.5 MeV Kr + . During in situ annealing studies, irradiation-enhanced recrystallization was observed at 923 K. Spatially-resolved fluorescence spectra of the Nd ion excited with 488.0 mn laser excitation showed marked line-broadening toward the center of the amorphous regions. Initial measurements indicate the subtle shifts of the 9 I 9/2 groundstate energy levels can be measured by pumping directly into the excited state 4 F 3/2 manifold suggesting that the line broadening observed originates from a distribution of geometrically distorted Nd sites

The characterization of Co xZn7-xSb2O12 spinel obtained by the pechini method

Directory of Open Access Journals (Sweden)

Deiby Santos Gouveia

2005-06-01

Full Text Available Oxides with spinel structures have been studied for many decades as they have been used in a variety of applications like pigments and refractories. They have also been used as a model structure to evaluate the relative stability of ions in octahedral and tetrahedral sites. Zinc- antimony spinels (Zn7Sb2O12 were synthesized by the Pechini method and the cation Zn2+ was substituted by Co2+, taking into consideration the stoichiometry of Co xZn7-xSb2O12 (x = 0 - 7. Characterization of the thermal properties of pyrolyzed powders was carried out with a TG/DTA analyzer, and mass losses were determined as a function of the cobalt content in the resin. The powders were calcined at temperatures in the range 600 to 1000 °C and characterized by XRD, BET and IR spectroscopy. Maximum cristalinity was obtained in powders calcined at 1000 °C. Materials with x = 5 - 7 revealed the presence of a secondary phase (Co, ZnSb2O6. Infrared analysis facilitated in the determination of the possible sites of Zn2+, Co2+ and Sb2+ ions in the lattice.

Vertically oriented TiO(x)N(y) nanopillar arrays with embedded Ag nanoparticles for visible-light photocatalysis.

Science.gov (United States)

Jiang, Weitao; Ullah, Najeeb; Divitini, Giorgio; Ducati, Caterina; Kumar, R Vasant; Ding, Yucheng; Barber, Zoe H

2012-03-27

We present a straightforward method to produce highly crystalline, vertically oriented TiO(x)N(y) nanopillars (up to 1 μm in length) with a band gap in the visible-light region. This process starts with reactive dc sputtering to produce a TiN porous film, followed by a simple oxidation process at elevated temperatures in oxygen or air. By controlling the oxidation conditions, the band gap of the prepared TiO(x)N(y) can be tuned to different wavelength within the range of visible light. Furthermore, in order to inhibit carrier recombination to enhance the photocatalytic activity, Ag nanoparticles have been embedded into the nanogaps between the TiO(x)N(y) pillars by photoinduced reduction of Ag(+) (aq) irradiated with visible light. Transmission electron microscopy reveals that the Ag nanoparticles with a diameter of about 10 nm are uniformly dispersed along the pillars. The prepared TiO(x)N(y) nanopillar matrix and Ag:TiO(x)N(y) network show strong photocatalytic activity under visible-light irradiation, evaluated via degradation of Rhodamine B. © 2012 American Chemical Society

Dopant spin states and magnetism of Sn{sub 1−x}Fe{sub x}O{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Punnoose, A., E-mail: apunnoos@boisestate.edu; Dodge, Kelsey; Reddy, K. M.; Franco, Nevil; Chess, Jordan; Eixenberger, Josh [Department of Physics, Boise State University, Boise, Idaho 83725-1570 (United States); Beltrán, J. J. [Department of Physics, Boise State University, Boise, Idaho 83725-1570 (United States); Grupo de Estado Sólido, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No 52-21, Medellín (Colombia); Barrero, C. A. [Grupo de Estado Sólido, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No 52-21, Medellín (Colombia)

2014-05-07

This work reports detailed investigations of a series of ∼2.6 nm sized, Sn{sub 1−x}Fe{sub x}O{sub 2} crystallites with x = 0–0.10 using Mossbauer spectroscopy, x-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance spectroscopy (EPR), and magnetometry to determine the oxidation state of Fe dopants and their role in the observed magnetic properties. The magnetic moment per Fe ion μ was the largest ∼6.48 × 10{sup −3} μ{sub B} for the sample with the lowest (0.001%) Fe doping, and it showed a rapid downward trend with increasing Fe doping. Majority of the Fe ions are in 3+ oxidation state occupying octahedral sites. Another significant fraction of Fe dopant ions is in 4+ oxidation state and a still smaller fraction might be existing as Fe{sup 2+} ions, both occupying distorted sites, presumably in the surface regions of the nanocrystals, near oxygen vacancies. These studies also suggest that the observed magnetism is not due to exchange coupling between Fe{sup 3+} spins. A more probable role for the multi-valent Fe ions may be to act as charge reservoirs, leading to charge transfer ferromagnetism.

Strain induced enhancement of magnetization in Ba{sub 2}FeMoO{sub 6} based heterostructure with (Ba{sub x}Sr{sub 1-x})TiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Kim, Kyeong-Won; Norton, David P. [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States); Ghosh, Siddhartha, E-mail: ghoshsid@gmail.com; Buvaev, Sanal; Hebard, Arthur F. [Department of Physics, University of Florida, Gainesville, Florida 32611 (United States)

2016-05-14

High quality epitaxial Ba{sub 2}FeMoO{sub 6} thin films and Ba{sub 2}FeMoO{sub 6}–(Ba{sub x}Sr{sub 1−x})TiO{sub 3} bi-layer (BL) and superlattice (SL) structures were grown via pulsed laser deposition under low oxygen pressure, and their structural, magnetic, and magneto-transport properties were examined. Superlattice and bi-layer structures were confirmed by X-ray diffraction patterns. Low temperature magnetic measurement shows that the saturation magnetization (M{sub S}) is significantly higher for SLs and almost similar or lower for BLs, when compared to phase pure Ba{sub 2}FeMoO{sub 6} thin films. The variation of the coercive field (H{sub C}) follows exact opposite trend, where BL samples have higher H{sub C} and SL samples have lower H{sub C} than pure Ba{sub 2}FeMoO{sub 6} thin films. Also, a significant decrease of the Curie temperature is found in both BL and SL structures compared to pure Ba{sub 2}FeMoO{sub 6} thin films. Negative magneto-resistance is seen in all the BL and SL structures as well as in pure Ba{sub 2}FeMoO{sub 6} thin films. In contrast to the magnetic properties, the magneto-transport properties do not show much variation with induced strain.

Characterization of thin films of the solid electrolyte Li(x)Mg(1-2x)Al(2+x)O4 (x = 0, 0.05, 0.15, 0.25).

Science.gov (United States)

Put, Brecht; Vereecken, Philippe M; Mees, Maarten J; Rosciano, Fabio; Radu, Iuliana P; Stesmans, Andre

2015-11-21

RF-sputtered thin films of spinel Li(x)Mg(1-2x)Al(2+x)O4 were investigated for use as solid electrolyte. The usage of this material can enable the fabrication of a lattice matched battery stack, which is predicted to lead to superior battery performance. Spinel Li(x)Mg(1-2x)Al(2+x)O4 thin films, with stoichiometry (x) ranging between 0 and 0.25, were formed after a crystallization anneal as shown by X-ray diffraction and transmission electron microscopy. The stoichiometry of the films was evaluated by elastic recoil detection and Rutherford backscattering and found to be slightly aluminum rich. The excellent electronic insulation properties were confirmed by both current-voltage measurements as well as by copper plating tests. The electrochemical stability window of the material was probed using cyclic voltammetry. Lithium plating and stripping was observed together with the formation of a Li-Pt alloy, indicating that Li-ions passed through the film. This observation contradicted with impedance measurements at open circuit potential, which showed no apparent Li-ion conductivity of the film. Impedance spectroscopy as a function of potential showed the occurrence of Li-ion intercalation into the Li(x)Mg(1-2x)Al(2+x)O4 layers. When incorporating Li-ions in the material the ionic conductivity can be increased by 3 orders of magnitude. Therefore it is anticipated that the response of Li(x)Mg(1-2x)Al(2+x)O4 is more adequate for a buffer layer than as the solid electrolyte.

Studies on Ba(2)YNbO(6) Buffer Layers for Subsequent YBa(2)Cu(3)O(7-x) Film Growth

National Research Council Canada - National Science Library

Sathiraju, Srinivas; Barnes, Paul N; Varanasi, Chakrapani; Wheeler, Robert

2004-01-01

In this paper, we are reporting a dielectric oxide buffer Ba(2)YNbO(6) (BYNO) and its performance on various substrates for a potential buffer layer for the growth of YBa(2)Cu(3)O(7-x) (YBCO) coated conductors. Ba(2)YNbO(6...

L X-ray emission induced by heavy ions

Energy Technology Data Exchange (ETDEWEB)

Pajek, M. [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Banaś, D., E-mail: d.banas@ujk.edu.pl [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Braziewicz, J.; Majewska, U.; Semaniak, J. [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Fijał-Kirejczyk, I. [The Institute of Atomic Energy, 05-400 Otwock-Świerk (Poland); Jaskóła, M.; Czarnacki, W.; Korman, A. [The National Centre for Nuclear Research, 05-400 Otwock-Świerk (Poland); Kretschmer, W. [Physikalisches Institut, Universität Erlangen-Nürnberg, D-91058 Erlangen (Germany); Mukoyama, T. [Institute for Nuclear Research, Hungarian Academy of Sciences (ATOMKI), H-4026 Debrecen (Hungary); Trautmann, D. [Institut für Physik, Universität Basel, Basel (Switzerland)

2015-11-15

Particle-induced X-ray emission (PIXE) technique is usually applied using typically 1 MeV to 3 MeV protons or helium ions, for which the ion-atom interaction is dominated by the single ionization process. For heavier ions the multiple ionization plays an increasingly important role and this process can influence substantially both the X-ray spectra and atomic decay rates. Additionally, the subshell coupling effects are important for the L- and M-shells ionized by heavy ions. Here we discuss the main features of the X-ray emission induced by heavy ions which are important for PIXE applications, namely, the effects of X-ray line shifts and broadening, vacancy rearrangement and change of the fluorescence and Coster–Kronig yields in multiple ionized atoms. These effects are illustrated here by the results of the measurements of L X-ray emission from heavy atoms bombarded by 6 MeV to 36 MeV Si ions, which were reported earlier. The strong L-subshell coupling effects are observed, in particular L{sub 2}-subshell, which can be accounted for within the coupling subshell model (CSM) developed within the semiclassical approximation. Finally, the prospects to use heavy ions in PIXE analysis are discussed.

Effect of X-rays combined with ACNU and O sup 6 -ethylguanine on rat subcutaneous gliomas

Energy Technology Data Exchange (ETDEWEB)

Takahashi, Kou; Katakura, Rhuichi; Mashiyama, Shoji; Yoshimoto, Takashi; Suzuki, Jiro (Tohoku Univ., Sendai (Japan). School of Medicine); Sasaki, Takehito

1991-06-01

Rat gliomas of subcutaneously transplanted RGc-6 cells were irradiated with X-ray either alone, or combined with ACNU, and the cell-survival was assayed in vitro. Cell-survival curve composed of two components by X-irradiation alone indicated the presence of a hypoxic cell fraction. We have previously shown that combined treatment with ACNU apparently made the effect of X-ray on spheroids in vitro of the same cell line of RGc-6 more powerful. Although treatment of rat gliomas with ACNU administered at 2 hrs prior to X-irradiation was most effective, it resulted in only the additive effect of the independent action of the two agents. Further treatment by O{sup 6}-ethylguanine prior to ACNU administration and X-irradiation apparently increased the strength of the effect of ACNU combined with X-ray to the dose-modifying factor for X-ray of 1.8. The result indicated that the combination of O{sup 6}-ethylguanine prior to ACNU administration and X-irradiation may clinically enhance the effect of X-ray against apparent ACNU-resistant glioma cells such as RGc-6 cells. (author).

Potassium vanadate K0.23V2O5 as anode materials for lithium-ion and potassium-ion batteries

Science.gov (United States)

Liu, Cailing; Luo, Shaohua; Huang, Hongbo; Wang, Zhiyuan; Wang, Qing; Zhang, Yahui; Liu, Yanguo; Zhai, Yuchun; Wang, Zhaowen

2018-06-01

A layered potassium vanadate K0.23V2O5 has been successfully prepared by the hydrothermal method and evaluated as an anode material for lithium-ion and potassium-ion batteries. High structural stability is demonstrated by the ex situ X-ray diffraction (XRD) and ex situ scanning electron microscopy (SEM). When used as an anode material for lithium-ion batteries, the K0.23V2O5 exhibits a reversible capacity of 480.4 mAh g-1 at 20 mA g-1 after 100 cycles and 439.7 mAh g-1 at 200 mA g-1 after 300 cycles as well as good cycling stability. Even at a high current density of 800 mA g-1, a high reversible capacity of 202.5 mAh g-1 can be retained, indicating excellent rate performance. Whereas in potassium-ion batteries, it retains a capacity of 121.6 mAh g-1 after 150 cycles at 20 mA g-1 and 97.6 mAh g-1 at 100 mA g-1 after 100 cycles. Such superior electrochemical performance of K0.23V2O5 can be ascribed to the special flower-like morphology and structure. Overall, the results highlight the great potential of K0.23V2O5 as an anode material for both lithium-ion and potassium-ion batteries.

Magnetic structure of the quasi-two-dimensional compound CoTa{sub 2}O{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Kinast, E.J. [Universidade Estadual do Rio Grande do Sul, Rua 7 de Setembro, 1156, 90010-191 Porto Alegre (Brazil); Santos, C.A. dos [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, C.P. 15051, 91501-970 Porto Alegre (Brazil); Schmitt, D. [Laboratoire de Geophysique Interne et Tectonophysique, Universite Joseph Fourier, B. P. 53, 38041 Grenoble Cedex 9 (France); Isnard, O., E-mail: olivier.isnard@grenoble.cnrs.f [Institut Neel, CNRS/Universite Jospeh Fourier, avenue des martyrs B. P. 166, 38042 Grenoble Cedex 9 (France); Gusmao, M.A.; Cunha, J.B.M. da [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, C.P. 15051, 91501-970 Porto Alegre (Brazil)

2010-02-18

We report on a detailed investigation of magnetic properties of CoTa{sub 2}O{sub 6} using several techniques: neutron and X-ray diffraction, specific-heat, magnetic susceptibility, and magnetization measurements. The compound shows quasi-two-dimensional behavior due to its layered structure of alternating Co-O and Ta-O planes. We find that all magnetic moments lie entirely in the Co-O planes, along easy axes determined by the orientations of oxygen octahedra that surround the Co ions. The easy axes in successive magnetic planes have relative orientations that differ by 90{sup o}. Antiferromagnetic ordering is observed below 6.6 K, with propagation vectors ({+-}1/4,1/4,1/4) associated to the two non-equivalent sets of Co{sup 2+} ions, whose magnetic moments are perpendicularly oriented.

Study of the effect of different mixed supports on the catalytic activity and the structure of Bi{sub 2}Mo{sub x}W{sub 1-x}O{sub 6} catalysts; Estudio del efecto de diferentes soportes mixtos en la actividad catalitica y las caracteristicas estructurales de catalizadores de Bi{sub 2}Mo{sub x}W{sub 1-x}O{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Rangel, R.; Cervantes L, J. L.; Espino, J. [Universidad Michoacana de San Nicolas de Hidalgo, Facultad de Ingenieria Quimica, Division de Estudios de Posgrado, 58060 Morelia, Michoacan (Mexico); Nunez G, R. [IPN, Centro de Investigacion y de Estudios Avanzados, Unidad Merida, Departamento de Fisica Aplicada, 97310 Merida, Yucatan (Mexico); Bartolo P, P. [Universidad de Sonora, Departamento de Matematicas, 83000 Hermosillo, Sonora (Mexico); Gomez C, A.; Diaz, G., E-mail: rrangel@umich.mx [UNAM, Instituto de Fisica, 04510 Mexico D. F. (Mexico)

2014-07-01

A series of Bi{sub 2}Mo{sub x}W{sub 1-x}O{sub 6} catalysts supported on Al{sub 2}O{sub 3}-SiO{sub 2}, SiO{sub 2}-TiO{sub 2} and activated carbon were synthesized. The aim was to compare the different supports and calcination temperature of catalysts, studying their efficiency and activation temperature in the CO oxidation reaction. The catalysts active phase, Bi{sub 2}Mo{sub x}W{sub 1-x}O{sub 6} was made by means of chemical precipitation procedure starting from high purity (NH{sub 4}){sub 6}Mo{sub 7}O{sub 24}·4H{sub 2}O, (NH{sub 4}){sub 6}W{sub 12}O{sub 6}·H{sub 2}O, Bi(NO{sub 3}){sub 2}·5H{sub 2}O compounds, which afterwards, were supported on Al{sub 2}O{sub 3}-SiO{sub 2}, SiO{sub 2}-TiO{sub 2} and activated carbon through impregnation. The catalysts characterization was carried out by means of X-ray diffraction analysis, scanning electron microscopy and surface area determination (Bet method). Regarding the catalytic activity the Bi{sub 2}Mo{sub x}W{sub 1-x}O{sub 6}/carbon activated compound synthesized at 500 grades C was the best catalyst being activated at 125 grades C reaching 90% conversion. It is concludes that was observed an effect of calcination temperature and the support on the different values reached for the catalytic activity. (Author)

Vygotsky's theories of play, imagination and creativity in current practice: Gunilla Lindqvist's “creative pedagogy of play” in U. S. kindergartens and Swedish Reggio-Emilia inspired preschools

Directory of Open Access Journals (Sweden)

Monica Nilsson

2014-05-01

Full Text Available http://dx.doi.org/10.5007/2175-795X.2014v32n3p919 The ideal of modern western childhood, with its emphasis on the innocence and malleability of children, has combined with various social conditions to promote adult's direction of children's play towards adult-determined developmental goals, and adult's protection of children's play from adults.However, new forms of play, in which adults actively enter into the fantasy play of young children as a means of promoting the development and quality of life of both adults and children, have recently emerged in several countries (Sweden, Serbia (the former Yugoslavia, Finland, Japan and the United States. In this paper we discuss the theoretical support for this new form of activity:we argue thatGunilla Lindqvist's reinterpretation ofVygotsky's theory of play, with its emphasis on the creative quality of play, is unique amongst contemporary Western European and American theories of play. And we describe a series of formative interventions that are both instantiations of this new form of activity and an investigation of its theoretical support, which are being conducted in theUnited States and Sweden. Researchers at the Laboratory of Comparative Human Cognition at the University of California, SanDiego have implemented and studied Lindqvist's creative pedagogy of play in U.S. early childhood public school classrooms. Over the past year the central component of this pedagogy, playworlds, has been introduced and studied in three Swedish Reggio-Emilia inspired preschools. In conclusion, some of the findings from these research projects are presented.

The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study

Directory of Open Access Journals (Sweden)

Tadafumi Uchimaru

2002-04-01

Full Text Available Abstract: The accurate O-H bond dissociation enthalpies for a series of meta and para substituted phenols (X-C6H4-OH, X=H, F, Cl, CH3, OCH3, OH, NH2, CF3, CN, and NO2 have been calculated by using the (ROB3LYP procedure with 6-311G(d,p and 6-311++G(2df,2p basis sets. The proton affinities of the corresponding phenoxide ions (XC6H4-O- have also been computed at the same level of theory. The effect of change of substituent position on the energetics of substituted phenols has been analyzed. The correlations of Hammett’s substituent constants with the bond dissociation enthalpies of the O-H bonds of phenols and proton affinities of phenoxide ions have been explored.

Structural and compositional characterization of X-cut LiNbO3 crystals implanted with high energy oxygen and carbon ions

International Nuclear Information System (INIS)

Bentini, G.G.; Bianconi, M.; Cerutti, A.; Chiarini, M.; Pennestri, G.; Sada, C.; Argiolas, N.; Bazzan, M.; Mazzoldi, P.; Guzzi, R.

2005-01-01

High energy implantation of medium-light elements such as oxygen and carbon was performed in X-cut LiNbO 3 single crystals in order to prepare high quality optical waveguides. The compositional and damage profiles, obtained by exploiting the secondary ion mass spectrometry and Rutherford back-scattering techniques respectively, were correlated to the structural properties measured by the high resolution X-ray diffraction. This study evidences the development of tensile strain induced by the ion implantation that can contribute to the decrease of the ordinary refractive index variation through the photo-elastic effect

A study of magnetoplumbite-type (M-type) cobalt-titanium-substituted barium ferrite, BaCoxTixFe12-2xO19 (x = 1-6)

International Nuclear Information System (INIS)

Teh, G.B.; Saravanan, N.; Jefferson, D.A.

2007-01-01

Cobalt(II)-titanium(IV)-substituted barium ferrite forming the chemical formula of BaCo x Ti x Fe 12-2x O 19 (x = 1-6) have been investigated using X-ray diffraction spectroscopy (XRD), Superconducting Quantum Interference Device (SQUID) and high-resolution transmission electron microscopy (HRTEM). The specimen of magnetoplumbite (M-type) Co-Ti-substituted BaFe 12 O 19 were synthesised via sol-gel method using ethylene glycol as precursor. Significant increase in line broadening of the XRD patterns were observed indicating the decrease of particle sizes due to the Co(II)-Ti(IV) substitution. BaCo 3 Ti 3 Fe 6 O 19 showed the highest coercivity but moderate saturation and remnant magnetisations. HRTEM imaging showed that Co(II)-Ti(IV) substitution in the system of BaCo x Ti x Fe 12-2x O 19 (x = 1-6) produced no drastic change in the structure of the M-type ferrites. Most of the M-types crystals examined by HRTEM displayed a long axis perpendicular to the c-axis of the M-type structure. Disordered crystals showing the intergrowth between Co-Ti-substituted barium ferrite and the spinel-structured iron oxide were detected

Structure, magnetism and electronic properties in 3d-5d based double perovskite ({Sr_{1-x}} Y x )2FeIrO6

Science.gov (United States)

Kharkwal, K. C.; Pramanik, A. K.

2017-12-01

The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material (Sr1-x Y x )2FeIrO6 with x ≤slant 0.2 . With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr2FeIrO6 show antiferromagnetic type magnetic transition around 45 K however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr2FeIrO6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott’s variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in (Sr1-x Y x )2FeIrO6 is observed to reverse with x > 0.1 , which is believed to arise due to a change in the transition metal ionic state.

Amplification of the discharge current density of lithium-ion batteries with spinel phase Li(PtAu)0.02Mn1.98O4 nano-materials

CSIR Research Space (South Africa)

Ross, N

2014-05-01

Full Text Available -ion batteries (LIB) was synthesized by incorporation of the Pt-Au (1:1) nanoparticles onto the spinel phase LiMn(sub2)O(sub4). Ultra-low scan rate (0.01 mV (sups-1)) cyclic voltammetry of the cathode material in 1 M LiPF(sub6) (in 1:1 EC:DMC), showed four sets...

Preparation of magnetic composite based on zinc oxide nanoparticles and chitosan as a photocatalyst for removal of reactive blue 198

International Nuclear Information System (INIS)

Nguyen, Van Cuong; Nguyen, Ngoc Lam Giang; Hue Pho, Quoc

2015-01-01

In this study a novel magnetic composite used as a photocatalyst with combination of zinc oxide nanoparticles and chitosan (ZnO/Fe 3 O 4 /CS) was synthesized by a simple co-precipitation method. The role of the prepared magnetic nanocomposite is to improve the removal efficiency of textile dye due to the photocatalytic activity of zinc oxide nanoparticles and reusable capacity of Fe 3 O 4 magnetic nanoparticles. Constituents and structure properties of ZnO/Fe 3 O 4 /CS were investigated by scanning electron microscopy (SEM), x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA). Magnetic property of the prepared composite was determined by vibrating sample magnetometer (VSM). The results demonstrated that ZnO/Fe 3 O 4 /CS nanocomposite dramatically improved the removal efficiency of reactive blue 198 dye (RB198) with high photocatalytic activity and easy separation by a permanent magnet. In addition, the photocatalytic activity of the prepared composite was also performed under different parameters such as contact time, initial pH, the amount of composite and initial concentration of RB198. Interestingly, ZnO/Fe 3 O 4 /CS nanocomposite still showed high removal efficiency after recycling three times and performed in a real textile dyeing wastewater. (paper)

HxMoO3 nanobelts with better performance as anode in lithium-ion batteries

International Nuclear Information System (INIS)

Ju, Xiaokang; Ning, Peigong; Tong, Xiaobing; Lin, Xiaoping; Pan, Xi; Li, Qiuhong; Duan, Xiaochuan; Wang, Taihong

2016-01-01

We first report the pure H x MoO 3 nanobelts as anode for lithium-ion batteries by a facile hydrothermal with ammonium heptamolybdate tetrahydrate ((NH 4 )6Mo 7 O 24 ∙4H 2 O) and hydrochloric acid (HCl). Owing to hydrogen-doping, Mo 5+ exists in the H x MoO 3 nanobelt, which may release extra electrons. Therefore, the electric conductance of H x MoO 3 nanobelt is enhanced greatly. Moreover, the content of hydrogen can’t be high, since the ordered structure deteriorates when amount of hydrogen increasing. The H 0.28 MoO 3 nanobelts we designed exhibit outstanding specific capacity and rate performance. The stable capacity of 920 mAh g −1 is obtained after 25 charge/discharge cycles at 100 mA g −1 . At high current densities such as 1, 2, 5 and 10 A g −1 , the H 0.28 MoO 3 electrode delivers specific capacities of about 600, 500, 420, 300 mAh g −1 , respectively. Even after 450 charge discharge cycles at 1 A g −1 , the performance of our materials can maintain the capacity of about 550 mAh g −1 . Furthermore, we provide more discussion about the lithium storage mechanism of H x MoO 3 nanobelts through ex situ XRD and FESEM. By comparing H x MoO 3 with different X, we find that low content of hydrogen can greatly improve the performance of α-MoO 3 electrodes in Li-ion batteries.

Physicochemical investigation of Bi2MoO6 solid-phase interaction with Sm2MoO6

International Nuclear Information System (INIS)

Khajkina, E.G.; Kovba, L.M.; Bazarova, Zh.G.; Khal'baeva, K.M.; Khakhinov, V.V.; Mokhosoev, M.V.

1986-01-01

Bi 2 MoO 6 -Sm 2 MoO 6 interaction in the temperature range of 700-1000 deg C is studied using X-ray phase analysis and vibrational spectroscopy. Formation of monoclinic solid solutions based on γ'-Bi 2 MoO 6 and B 2-x Sm x MoO 6 varied composition phase with α-Ln 2 MoO 6 structure which homogeneity region extent at 1000 deg C constitutes ∼ 50 mol % (0.7≤x≤1.7) is stated. Crystallographic characteristics of the synthesized phases are determined

A study of the behaviour of copper in different types of silicate glasses implanted with Cu+ and O+ ions

Czech Academy of Sciences Publication Activity Database

Švecová, B.; Vařák, P.; Vytykačová, S.; Nekvindová, P.; Macková, Anna; Malinský, Petr; Bottger, R.

2017-01-01

Roč. 406, SEP (2017), s. 193-198 ISSN 0168-583X R&D Projects: GA MŠk LM2015056; GA ČR GA15-01602S Institutional support: RVO:61389005 Keywords : silicate glasses * ion implantation * copper Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders OBOR OECD: Nuclear physics Impact factor: 1.109, year: 2016

Production of C, N, O, and Ne ions by pulsed ion source and acceleration of these ions in the cyclotron

International Nuclear Information System (INIS)

Nakajima, Hisao; Kohara, Shigeo; Kageyama, Tadashi; Kohno, Isao

1977-01-01

The heavy ion source, of electron bombarded hot cathode type, is usually operated by applying direct current for arc discharge. In order to accelerate Ne 6+ ion in the cyclotron, a pulsed operation of this source was attempted. Ne 6+ and O 6+ ions were accelerated successfully up to 160 MeV and more than 0.1 μA of these ion were extracted from the cyclotron. C 5+ , Ne 7+ and 22 Ne 6+ ions were also extracted with a modest intensity of beam. The intensity of C 4+ , N 4+ , N 5+ , and O 5+ ions was increased about ten times. (auth.)

Distribution in magnetotail of O+ ions from Cusp/Cleft ionosphere: A possible substorm trigger

International Nuclear Information System (INIS)

Cladis, J.B.; Francis, W.E.

1992-01-01

The transport of O + ions from the cusp/cleft ionosphere to the magnetotail during highly disturbed times was determined by computing the guiding-center trajectories of the ions to a distance of 6 R E from the ionosphere and the full-motion trajectories at later times. Case histories were tallied in six planes perpendicular to the X GSM axis, three planes perpendicular to the Y GSM axis, and in the center plane of the tail. At various times relatives to the enhancement of the convection electric field, the following ion properties were constructed from the case histories; number density, mean energy, energy and pitch angle distributions of the flux, and ion pressure components parallel and perpendicular to the magnetic field. It was found that after about 1.7 hours the ion flux in the near-Earth magnetotail increased dramatically and the spectrum hardened, much as observed during periods just preceding substorms. This increase is attributed to (1) the increase in the O + outflux from the ionosphere, (2) the increased energization of the ions by the convection electric field, and (3) ion trapping, which generally occurs because the ion magnetic generally increase after the ions first cross the geomagnetotail center plane. Moreover, the parallel pressure of the ions exceeds the energy density of the magnetic field at X GSM E . On the basis of the expected alterations of the magnetic and electric fields in response to this O + pressure, a substorm trigger mechanism is suggested

HNbO3 and HTaO3: new cubic perovskites prepared from LiNbO3 and LiTaO3 via ion exchange

International Nuclear Information System (INIS)

Rice, C.E.; Jackel, J.L.

1982-01-01

The synthesis of HNbO 3 and HTaO 3 from LiNbO 3 via ion exchange in hot aqueous acid solutions is reported. This reaction is accompanied by a topotactic structural transformation from the rhombohedral LiNbO 3 structure to the cubic perovskite structure; cell constants are a = 3.822(1) angstrom for HNbO 3 and 3.810(2) angstrom for HTaO 3 . These new compounds have been characterized by powder X-ray diffraction, thermogravimetric analysis, and solid-state NMR. They are electronic insulators and have low ionic conductivity. Evidence of partially proton-exchange phases Li/sub 1-x/H/sub x/MO 3 was also seen. The possible significance of this ion exchange reaction for devices using LiNbO 3 or LiTaO 3 is discussed

Novel Potassium-Ion Hybrid Capacitor Based on an Anode of K2Ti6O13 Microscaffolds.

Science.gov (United States)

Dong, Shengyang; Li, Zhifei; Xing, Zhenyu; Wu, Xianyong; Ji, Xiulei; Zhang, Xiaogang

2018-05-09

To fill the gap between batteries and supercapacitors requires integration of the following features in a single system: energy density well above that of supercapacitors, cycle life much longer than Li-ion batteries, and low cost. Along this line, we report a novel nonaqueous potassium-ion hybrid capacitor (KIC) that employs an anode of K 2 Ti 6 O 13 (KTO) microscaffolds constructed by nanorods and a cathode of N-doped nanoporous graphenic carbon (NGC). K 2 Ti 6 O 13 microscaffolds are studied for potential applications as the anode material in potassium-ion storage for the first time. This material exhibits an excellent capacity retention of 85% after 1000 cycles. In addition, the NGC//KTO KIC delivers a high energy density of 58.2 Wh kg -1 based on the active mass in both electrodes, high power density of 7200 W kg -1 , and outstanding cycling stability over 5000 cycles. The usage of K ions as the anode charge carrier instead of Li ions and the amenable performance of this device suggest that hybrid capacitor devices may welcome a new era of beyond lithium.

Synthesis and characterization of ion-implanted Pt nanocrystals in SiO2

International Nuclear Information System (INIS)

Giulian, R.; Kluth, P.; Johannessen, B.; Araujo, L.L.; Llewellyn, D.J.; Cookson, D.J.; Ridgway, M.C.

2007-01-01

Pt nanocrystals (NCs) produced by ion implantation in SiO 2 films were investigated by Rutherford backscattering spectroscopy (RBS), transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS). The implantations were performed at liquid nitrogen temperature using energies between 3.4 and 5.6 MeV and an ion fluence range of 2-30 x 10 16 cm -2 and were followed by annealing in forming gas (95% N 2 , 5% H 2 ) for one hour at temperatures between 500 and 1100 deg. C. TEM analysis revealed that the NCs are spherical in shape. The mean size of the NCs annealed at 1100 deg. C varied between 2.8 and 3.6 nm for the highest and lowest fluences, respectively, as determined with both TEM and SAXS. In contrast to previous studies on ion implanted metal NCs, larger Pt NCs are located far beyond the Pt peak concentration, potentially the result of a strongly defect mediated NC nucleation

O2(X3 Sigma- sub g) and O2(a1 Delta sub g) Charge Exchange with Simple Ions (Postprint)

Science.gov (United States)

2014-06-03

injected into a flow tube through a Venturi inlet. The ions were carried downstream by the helium buffer gas . The O2(X3−g )/O2(a 1g) mixture was added...However, for this study, the procedure needed to be modified as explained below. Most of the gas was pumped away by a roots blower and a small amount was...Publishing Articles you may be interested in Mutual neutralization of atomic rare- gas cations (Ne+, Ar+, Kr+, Xe+) with atomic halide anions (Cl−, Br−, I

Defect chemistry and oxygen transport of (La0.6Sr0.4-xMx)(0.99)Co0.2Fe0.8O3-delta, M = Ca (x=0.05, 0.1), Ba (x=0.1, 0.2), Sr Part I: Defect chemistry

DEFF Research Database (Denmark)

Dalslet, Bjarke Thomas; Søgaard, Martin; Bouwmeester, Henry J.M.

2009-01-01

This paper is the first part of a two part series, where the effects of varying the A-site dopant on the defect chemistry, the diffusion coefficient and the surface catalytic properties of the materials (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Sr, Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2) (LSMFC......) have been investigated. In part I, the findings on the defect chemistry are reported, while the transport properties are reported in part II. Substitution of Sr2+ ions with Ca2+ ions (smaller ionic radius) and Ba2+ ions (larger ionic radius) strains the crystal structure differently for each...... composition while keeping the average valence of the cations constant. The Ba2+ containing materials show the largest oxygen loss at elevated temperatures, while the purely Sr2+ doped material showed the smallest oxygen loss. This was reflected in the partial oxidation entropy of the materials. The measured...

The first orbital parameters and period variation of the short-period eclipsing binary AQ Boo

Science.gov (United States)

Wang, Shuai; Zhang, Liyun; Pi, Qingfeng; Han, Xianming L.; Zhang, Xiliang; Lu, Hongpeng; Wang, Daimei; Li, TongAn

2016-10-01

We obtained the first VRI CCD light curves of the short-period contact eclipsing binary AQ Boo, which was observed on March 22 and April 19 in 2014 at Xinglong station of National Astronomical Observatories, and on January 20, 21 and February 28 in 2015 at Kunming station of Yunnan Observatories of Chinese Academy of Sciences, China. Using our six newly obtained minima and the minima that other authors obtained previously, we revised the ephemeris of AQ Boo. By fitting the O-C (observed minus calculated) values of the minima, the orbital period of AQ Boo shows a decreasing tendency P˙ = - 1.47(0.17) ×10-7 days/year. We interpret the phenomenon by mass transfer from the secondary (more massive) component to the primary (less massive) one. By using the updated Wilson & Devinney program, we also derived the photometric orbital parameters of AQ Boo for the first time. We conclude that AQ Boo is a near contact binary with a low contact factor of 14.43%, and will become an over-contact system as the mass transfer continues.

Characterization and Comparison of Photocatalytic Activity Silver Ion doped on TiO2(TiO2/Ag+) and Silver Ion doped on Black TiO2(Black TiO2/Ag+)

Science.gov (United States)

Kim, Jin Yi; Sim, Ho Hyung; Song, Sinae; Noh, Yeoung Ah; Lee, Hong Woon; Taik Kim, Hee

2018-03-01

Titanium dioxide (TiO2) is one of the representative ceramic materials containing photocatalyst, optic and antibacterial activity. The hydroxyl radical in TiO2 applies to the intensive oxidizing agent, hence TiO2 is suitable to use photocatalytic materials. Black TiO2was prepared through reduction of amorphous TiO2 conducting under H2 which leads to color changes. Its black color is proven that absorbs 100% light across the whole-visible light, drawing enhancement of photocatalytic property. In this study, we aimed to compare the photocatalytic activity of silver ion doped on TiO2(TiO2/Ag+) and silver ion doped on black TiO2(black TiO2/Ag+) under visible light range. TiO2/Ag+ was fabricated following steps. 1) TiO2 was synthesized by a sol-gel method from Titanium tetraisopropoxide (TTIP). 2) Then AgNO3 was added during an aging process step for silver ion doping on the surface of TiO2. Moreover, Black TiO2/Ag+ was obtained same as TiO2/Ag+ except for calcination under H2. The samples were characterized X-ray diffraction (XRD), UV-visible reflectance (UV-vis DRS), and Methylene Blue degradation test. XRD analysis confirmed morphology of TiO2. The band gap of black TiO2/Ag+ was confirmed (2.6 eV) through UV-vis DRS, which was lower than TiO2/Ag+ (2.9 eV). The photocatalytic effect was conducted by methylene blue degradation test. It demonstrated that black TiO2/Ag+ had a photocatalytic effect under UV light also visible light.

Coulomb excitation of the 4+1 states of 194Pt, 196Pt and 198Pt

International Nuclear Information System (INIS)

Fewell, M.P.; Gyapong, G.J.; Spear, R.H.

1987-09-01

Probabilities for the Coulomb excitation of the 4 1 + states of 194 Pt, 196 Pt, 198 Pt by the backscattering of 4 He, 12 C and 16 O ions are reported. Model-independent values of the matrix elements 1 + ; M(E4), 4 1 + > and 1 + , M(E2), 4 1 + > are extracted. Agreement with previous measurements of these matrix elements is good. Values of β 2 and β 4 are determined for 194 Pt and compared with calculations of these quantities

An electrochemical study of the systems Li1+-xV2O4 and Li1-xVO2 (0≤x≤1)

International Nuclear Information System (INIS)

De Picciotto, L.A.; Thackeray, M.M.; Pistoia, G.

1988-01-01

Electrochemical properties of the systems Li 1±x V 2 O 4 (0≤x≤1), Li 1-x VO 2 (0≤x 2 O 4 is reversible, which confirms that lithium may be cycled, topotactically, in and out of the Li 1+x V 2 O 4 spinel structure. Delithiation of the LiV 2 O 4 spinel is irreversible; during this process the vanadium ions migrate through the oxide layers. This results in a defect rocksalt phase, which can, in turn, be relithiated by a different mechanism. Lithium extraction for the layered compound LiVO 2 yields a structure similar to the delithiated LiV 2 O 4 product. The spinel-derived compounds Li 1 +-x/V 2 O 4 (0 -3 Ω -1 cm -1 at x=0 and 10 -6 Ω -1 cm -1 at x=1. Lithium diffusion rates in Li 1±x V 2 O 4 samples increase with lithiation from D=4x10 -10 cm 2 /s in LiV 2 O 4 to D=6x10 -8 cm 2 /s in Li 2 V 2 O 4 . Intermediate values of D are obtained in the delithiated compound Li 0.28 V 2 O 4 and in the layered oxide LiVO 2 ; significantly lower values of D, viz. 1x10 -11 cm 2 /s and 4x10 -11 cm 2 /s , are found in the spinels LiMn 2 O 4 and Fe 3 O 4 respectively. 28 refs.; 5 figs.; 1 table

Tuning of optical and electrical properties of wide band gap Fe:SnO{sub 2}/Li:NiO p-n junctions using 80 MeV oxygen ion beam

Energy Technology Data Exchange (ETDEWEB)

Mistry, Bhaumik V.; Joshi, U.S. [Gujarat University, Department of Physics, School of Sciences, Ahmedabad (India); Avasthi, D.K. [Inter University Accelerator Centre, New Delhi (India)

2016-12-15

Electrical and optical properties of pristine and swift heavy ion (SHI) irradiated p-n junction diode have been investigated for advanced electronics application. Fe:SnO{sub 2}/Li:NiO p-n junction was fabricated by using pulsed laser deposition on c-sapphire substrate. The optical band gaps of Fe:SnO{sub 2} and Li:NiO films were obtained to be 3.88 and 3.37 eV, respectively. The current-voltage characteristics of the oxide-based p-n junction showed a rectifying behaviour with turn-on voltage of 0.95 V. The oxide-based p-n junction diode was irradiated to 80 MeV O{sup +6} ions with 1 x 10{sup 12} ions/cm{sup 2} fluence. Decrease in grain size due to SHI irradiation is confirmed by the grazing angle X-ray diffraction and atomic force microscopy. In comparison with the pristine p-n junction diode, O{sup +6} ion irradiated p-n junction diode shows the increase of surface roughness and decrease of percentage transmittance in visible region. For irradiated p-n junction diode, current-voltage curve has still rectifying behaviour but exhibits lower turn-on voltage than that of virgin p-n junction diode. (orig.)

Solubility of NaNd(CO3)2.6H2O(c) in concentrated Na2CO3 and NaHCO3 solutions

International Nuclear Information System (INIS)

Rao, L.; Rai, D.; Felmy, A.R.; Fulton, R.W.; Novak, C.F.

1996-01-01

NaNd(CO 3 ) 2 x 6 H 2 O(c) was identified to be the final equilibrium solid phase in suspensions containing concentrated sodium carbonate (0.1 to 2.0 M) and sodium bicarbonate (0.1 to 1.0 M), with either NaNd(CO 3 ) 2 x 6 H 2 O(c) or Nd 2 (CO 3 ) 3 x xH 2 O(s) as initial solids. A thermodynamic model, based on Pitzer's specific into-interaction approach, was developed to interpret the solubility of NaNd(CO 3 ) 2 x 6 H 2 O(c) as functions of sodium carbonate and sodium bicarbonate concentrations. In this model, the solubility data of NaNd(CO 3 ) 2 x 6 H 2 O(c) were explained by assuming the formation of NdCO 3 + , Nd(CO 3 ) 2 - and Nd(CO 3 ) 3 3- species and invoking the specific ion interactions between Na + and Nd(CO 3 ) 3 3- . Ion interaction parameters for Na + -Nd(CO 3 ) 3 3- were developed to fit the solubility data. Based on the model calculations, Nd(CO 3 ) 3 3- was the predominant aqueous neodymium species in 0.1 to 2 M sodium carbonate and 0.1 to 1 M sodium bicarbonate solutions. The logarithm of the NaNd(CO 3 ) 2 x 6 H 2 O solubility product (NaNd(CO 3 ) 2 x 6 H 2 O(c)=Na + +Nd 3+ +2 CO 3 2- +6 H 2 O) was calculated to be -21.39. This model also provided satisfactory interpretation of the solubility data of the analogous Am(III) system in less concentrated carbonate and bicarbonate solutions. (orig.)

C57BL/6 mice need MHC class II Aq to develop collagen-induced arthritis dependent on autoreactive T cells.

Science.gov (United States)

Bäcklund, Johan; Li, Cuiqin; Jansson, Erik; Carlsen, Stefan; Merky, Patrick; Nandakumar, Kutty-Selva; Haag, Sabrina; Ytterberg, Jimmy; Zubarev, Roman A; Holmdahl, Rikard

2013-07-01

Collagen-induced arthritis (CIA) has traditionally been performed in MHC class II A(q)-expressing mice, whereas most genetically modified mice are on the C57BL/6 background (expressing the b haplotype of the major histocompatibility complex (MHC) class II region). However, C57BL/6 mice develop arthritis after immunisation with chicken-derived collagen type II (CII), but arthritis susceptibility has been variable, and the immune specificity has not been clarified. To establish a CIA model on the C57BL/6 background with a more predictable and defined immune response to CII. Both chicken and rat CII were arthritogenic in C57BL/6 mice provided they were introduced with high doses of Mycobacterium tuberculosis adjuvant. However, contaminating pepsin was strongly immunogenic and was essential for arthritis development. H-2(b)-restricted T cell epitopes on chicken or rat CII could not be identified, but expression of A(q) on the C57BL/6 background induced T cell response to the CII260-270 epitope, and also prolonged the arthritis to be more chronic. The putative (auto)antigen and its arthritogenic determinants in C57BL/6 mice remains undisclosed, questioning the value of the model for addressing T cell-driven pathological pathways in arthritis. To circumvent this impediment, we recommend MHC class II congenic C57BL/6N.Q mice, expressing A(q), with which T cell determinants have been thoroughly characterised.

Interactions among magnetic moments in the double perovskites Sr2Fe1+xMo1−xO6

International Nuclear Information System (INIS)

Pilo, J.; Carvajal, E.; Oviedo-Roa, R.; Cruz-Irisson, M.; Navarro, O.

2014-01-01

It is well known that every double perovskite shows a characteristic magnetic behavior, as a consequence of the interactions among the magnetic moments associated with the atoms in their cells; at the same time, the electric and magnetic properties of the bulk double perovskite Sr 2 FeMoO 6 are well characterized. In this work we studied the iron rich compounds Sr 2 Fe 1+x Mo 1−x O 6 , using a supercell to model such concentrations that made Fe richer perovskites by ±66.6% and ±200%. Starting from the stoichiometric double perovskite, and modifying the Fe/Mo ratio in the compound, the study of these materials were based on the calculation of the magnetic moment at each atom, as well as the partial density of states

Hydrated electron: a destroyer of perfluorinated carboxylates?

International Nuclear Information System (INIS)

Huang Li; Dong Wenbo; Hou Huiqi

2006-01-01

As a class, perfluorinated carboxylate (PFCA) was ranked among the most prominent organohalogen contaminants in environment with respect to thermal, chemical and biological inertness. Hydrated electron (e aq - ), a highly reactive and strongly reductive species, has been reported to readily decompose perfluoroaromatic compounds via intermolecular electron transfer process in aqueous solution. Question then arose: what would happen if perfluorinated carboxylates encountered with hydrated electron? Original laboratory trial on the interaction between F(CF 2 ) n COO - (n=1, 3, 7) and hydrated electron was attempted by using laser flash photolysis technique in this research work. Abundant hydrated electron (e aq - ) could be produced by photolysis of 1.25 x 10 -4 M K 4 Fe(CN) 6 in nitrogen saturated water. In the presence of F(CF 2 ) n COO - (n=1, 3, 7), the decay of e aq - was observed to enhance dramatically, indicating e aq - was able to attack PFCAs. On addition of perfluorinated carboxylates, the loss of e aq - was mainly due to the following channels. By mixing the solution of K 4 Fe(CN) 6 with excess K 3 Fe(CN) 6 and PFCAs, e aq - turned to decayed corresponding to mixed first- and second-order kinetics. Rate constants for the reactions of e aq - with PFCAs could be then easily determined by monitoring the decay of e aq - absorption at 690 nm. Since perfluorinated carboxylates were salts, the influence of ionic strength on k 3 was examined systematically by carrying out experiments of varying ionic strength ranging from 0.009 up to 0.102 M by adding NaClO 4 . In this manner, the second order rate constants for e-aq with CF 3 COO - , C 3 F 7 COO - , C 7 F 15 COO - were derived to be (1.9±0.2) x 10 6 M -1 S -1 (μ=0), (7.1±0.2) x 10 6 M -1 S -1 (μ=0) and (1.7±0.5) x10 7 M -1 S -1 (μ=0.009 M) respectively. Apparently, the length of F(CF 2 ) n group exerted substantial influence on the rate constant. Further study on byproducts analysis by ion chromatography

Lithium ion implantation effects in MgO(100)

Energy Technology Data Exchange (ETDEWEB)

Huis, M.A. van; Fedorov, A.V.; Veen, A. van; Labohm, F.; Schut, H.; Mijnarends, P.E. [Interfaculty Reactor Inst., Delft Univ. of Technology, Delft (Netherlands); Kooi, B.J.; Hosson, J.T.M. de [Rijksuniversiteit Groningen (Netherlands). Materials Science Centre

2001-07-01

Single crystals of MgO(100) were implanted with 10{sup 16} {sup 6}Li ions cm{sup -2} at an energy of 30 keV. After ion implantation the samples were annealed isochronally in air at temperatures up to 1200K. After implantation and after each annealing step, the defect evolution was monitored with optical absorption spectroscopy and depth-sensitive Doppler Broadening positron beam analysis (PBA). A strong increase in the S-parameter is observed in the implantation layer at a depth of approximately 100 nm. The high value of the S-parameter is ascribed to positron annihilation in small lithium precipitates. The results of 2D-ACAR and X-TEM analysis show evidence of the presence of lithium precipitates. The depth distribution of the implanted {sup 6}Li atoms was monitored with neutron depth profiling (NDP). It was observed that detrapping and diffusion of {sup 6}Li starts at an annealing temperature of 1200K. (orig.)

Lithium ion implantation effects in MgO(100)

International Nuclear Information System (INIS)

Huis, M.A. van; Fedorov, A.V.; Veen, A. van; Labohm, F.; Schut, H.; Mijnarends, P.E.; Kooi, B.J.; Hosson, J.T.M. de

2001-01-01

Single crystals of MgO(100) were implanted with 10 16 6 Li ions cm -2 at an energy of 30 keV. After ion implantation the samples were annealed isochronally in air at temperatures up to 1200K. After implantation and after each annealing step, the defect evolution was monitored with optical absorption spectroscopy and depth-sensitive Doppler Broadening positron beam analysis (PBA). A strong increase in the S-parameter is observed in the implantation layer at a depth of approximately 100 nm. The high value of the S-parameter is ascribed to positron annihilation in small lithium precipitates. The results of 2D-ACAR and X-TEM analysis show evidence of the presence of lithium precipitates. The depth distribution of the implanted 6 Li atoms was monitored with neutron depth profiling (NDP). It was observed that detrapping and diffusion of 6 Li starts at an annealing temperature of 1200K. (orig.)

Structural and electrical conductivity studies on the solid electrolyte system {sub x}Li2O-(100-x) [0.5B{sub 2}O{sub 3}-0.5 P{sub 2}O{sub 5}] where 20<x<70

Energy Technology Data Exchange (ETDEWEB)

Padmasree, K. P.; Diaz-Guillen, M. R.; Diaz-Guillen, J. A.; Mendoza, E. M.; Fuentes, A. F. [Cinvestav, unidad Saltillo, Ramos Arizpe, Coahuila (Mexico)]. E-mail: padma512@yahoo.com

2009-09-15

Lithium ion conducting glasses have been extensively investigated due to their potential application as solid state amorphous electrolytes in lithium rechargeable batteries. The use of glassy electrolytes in all solid state devices may provide numerous advantages like increased safety, facility of fabrication and miniaturization and having a higher conductivity than those of the crystalline counterparts. In this work, we prepared and studied the Lithium ion conducting glassy solid electrolytes of the composition {sub x}Li{sub 2}O-(1-x)[0.5B{sub 2}O{sub 3} -0.5P{sub 2}O{sub 5}] where 20<x<70, by melt quenching technique. The obtained solid material is characterized through X-ray diffraction (XRD), Differential thermal analysis (DTA), and Fourier transform infra-red spectrometry (FTIR) and impedance spectroscopy techniques. The conductivity obtained is of the order of 10-7S/cm at room temperature and IR spectra reveal that the glass matrix undergoes structural modification with the addition of the glass modifier Li{sub 2}O. [Spanish] Los vidrios conductores de ion litio se han investigado ampliamente por su aplicacion potencial como electrolitos amorfos de estado solido en baterias recargables de litio. El uso de electrolitos vitreos en todos los dispositivos de estado solido puede proporcionar numerosas ventajas como mayor seguridad, facilidad de fabricacion y miniaturizacion, asi como tener una conductividad mas alta que la de sus contrapartes cristalinas. En este trabajo, se prepararon y estudiaron los electrolitos solidos vitreos conductores de ion litio de la composicion {sub x}Li2O-(1-x)[0.5B{sub 2}O{sub 3} -0.5P{sub 2}O{sub 5}] donde 20<x<70, por medio de la tecnica de templado. El material solido obtenido se caracteriza mediante difraccion de rayos X (DRX), analisis termico diferencial (ATD) y espectrometria infrarroja de la transformada de Fourier (EITF) y tecnicas de espectroscopia por impedancia. La conductividad obtenida es del orden de 10-7S/cm a

Simultaneous multi-wavelength ultraviolet excited single-phase white light emitting phosphor Ba1-x(Zr,Ti)Si3O9:xEu

Science.gov (United States)

Zhou, Zhenzhen; Liu, Guanghui; Ni, Jia; Liu, Wanlu; Liu, Qian

2018-05-01

A kind of novel compound Ba1-x(Zr,Ti)Si3O9:xEu simultaneously activated by different-valence Eu2+ and Eu3+ ions has been successfully synthesized. The existence of Ti4+-O2- charge transfer (CT) transitions in Ba1-xZrSi3O9:xEu is proved by the photoluminescence spectra and first principle calculations, and the Ti4+ ions come from the impurities in commercial ZrO2 raw materials. Under the excitation of multi-wavelength ultraviolet radiation (λEX = 392, 260, 180 nm), Ba1-xZrSi3O9:xEu (x = 0.15) can directly emit nearly white light. The coexistence of multiple luminescent centers and the energy transfer among Zr4+-O2- CT state, Ti4+-O2- CT state, Eu2+ and Eu3+ ions play important roles in the white light emission. Ba1-xZrSi3O9:xEu (x = 0.15) has good thermal stability, in particular, the intensity of emission spectrum (λEX = 392 nm) at 150 °C is ∼96% of that at room temperature. In general, the multi-wavelength ultraviolet-excited single-phase white light emitting phosphor Ba1-x(Zr,Ti)Si3O9:xEu possesses a promise for applications in white light emitting diodes (WLEDs), agriculture, medicine and other photonic fields.

Molybdenum Cluster Chalcogenides: In Situ X-Ray Studies on the Formation of Cu xMo 6S 8 via Electron/Ion Transfer

Science.gov (United States)

Fischer, C.; Gocke, E.; Stege, U.; Schöllhorn, R.

1993-01-01

Systematic structural investigation have been performed on the formation of the ternary Chevrel phase system CuxMo6S8 by topotactic intercalation of copper into Mo6S8 via electron/ion transfer reactions. In high-temperature synthesis the homogeneity range of CuxMo6S8 formation corresponds to 1.8 ≤ x ≤ 3.66, while by galvanostatic or potentiostatic reduction of binary Mo6S8 at ambiet temperature in aqueous CuSO4 or aprotic CuCl/Ch3CN electrolyte the terminal rhombohedral phase Cu4Mo6S8 with the maximum number of electrons per Mo6 cluster can be obtained. The phase range 1 ≤ x ≤ 4 of CuxMo6S8 as obtained by galvanostatic reduction of Mo6S8 in aqueous CuSO4 electrolyte has been determined by in situ X-ray experiments. Warburg oxygen manometry has proved to be a new and powerful analytical tool for examination of the Cu content of ternary phase CuxMo6S8. Thermodiffractometry and 63 Cu NMR studies of Cu2Mo6S8 (high-temperature phase) reveal a phase-transition rhombohedral/triclinic in a broad temperature range between 285 and 200 K. Superconducting properties (temperature-dependent ac susceptibility) of high temperature and electrochemically prepared Cu phases are reported.

On the role of Fe{sup 3+} ions in Fe{sub x}O{sub y}/C catalysts for hydrogen production from the photodehydrogenation of ethanol

Energy Technology Data Exchange (ETDEWEB)

Galindo-Hernández, Félix, E-mail: felixgalindo@gmail.com [Universidad Nacional Autónoma de México (U.N.A.M.), A.P. 20-364, México City, D.F. 01000 (Mexico); Instituto Mexicano del Petróleo (I.M.P.), Eje Central Lázaro Cárdenas Norte 152 Col. San Bartolo Atepehuacan, México City, D.F. 07730 (Mexico); ESIQIE, Instituto Politécnico Nacional, Col. Zacatenco, Av. Politécnico s/n, México City, D.F. 07738 (Mexico); Wang, Jin-An; Chen, Lifang [ESIQIE, Instituto Politécnico Nacional, Col. Zacatenco, Av. Politécnico s/n, México City, D.F. 07738 (Mexico); Bokhimi, Xim [Universidad Nacional Autónoma de México (U.N.A.M.), A.P. 20-364, México City, D.F. 01000 (Mexico); Gómez, Ricardo; Pérez-Larios, Alejandro [Department of Chemistry, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, A.P. 55-534, México City, D.F. 09340 (Mexico); Nava Entzana, Noel [Instituto Mexicano del Petróleo (I.M.P.), Eje Central Lázaro Cárdenas Norte 152 Col. San Bartolo Atepehuacan, México City, D.F. 07730 (Mexico)

2013-12-15

Graphical abstract: In Fe{sub x}O{sub y}/C photocatalyts important effect of Fe{sup 3+} ions in the photodehydrogenation of the ethano was noticed. -- Highlights: • Iron oxides supported on carbon are photoactive catalysts. • Photoactivity in dehydrogenation of ethanol depends of the amount of Fe{sup 3+} ions present in the catalysts. • The capacity of UV–vis absorbance by the Fe{sub x}O{sub y}/C catalysts is significantly dependent of the amount of Fe{sup 3+} ions. • A maximum of rate constant, K = 2125 μmol h{sup −1}, was obtained from the sample with 30 wt% Fe. -- Abstract: Fe{sub x}O{sub y}/C photocatalysts at different iron content were prepared by the incipient wet impregnation method and calcined at 773 K. The photocatalysts were characterized by means of nitrogen adsorption–desorption isotherms, surface fractal dimension, non-local density functional theory, X-ray diffraction, Rietveld refinement and UV–vis spectroscopy. The photocatalytic activity was evaluated using the photodehydrogenation of ethanol as a model reaction for the production of hydrogen. The specific surface areas of Fe{sub x}O{sub y}/C substrates, with 15, 20 and 30 wt% iron content, diminished from 638 to 490 m{sup 2}/g, as the iron content increased. X-ray diffraction analysis showed that iron oxides coexist as wustite and magnetite in samples with Fe contents of 15 and 20 wt%; for sample with 30 wt% Fe, wustite, magnetite and hematite phases were observed. The photophysical, textural and structural properties were modified by the hematite phase formed by thermal treatment. The Rietveld refinements denoted changes in occupancy of Fe{sup 3+} and Fe{sup 2+} in Fe{sub x}O{sub y} crystallites. A relationship between the Fe{sup 3+} ions content and the reactivity for the hydrogen production from the photodehydrogenation of ethanol (from 1360 to 2125 μmol h{sup −1}), was evidenced.

Emission analysis of Tb3+ -and Sm3+ -ion-doped (Li2 O/Na2 O/K2 O) and (Li2 O + Na2 O/Li2 O + K2 O/K2 O + Na2 O)-modified borosilicate glasses.

Science.gov (United States)

Naveen Kumar Reddy, B; Sailaja, S; Thyagarajan, K; Jho, Young Dahl; Sudhakar Reddy, B

2018-05-01

Four series of borosilicate glasses modified by alkali oxides and doped with Tb 3+ and Sm 3+ ions were prepared using the conventional melt quenching technique, with the chemical composition 74.5B 2 O 3 + 10SiO 2 + 5MgO + R + 0.5(Tb 2 O 3 /Sm 2 O 3 ) [where R = 10(Li 2 O /Na 2 O/K 2 O) for series A and C, and R = 5(Li 2 O + Na 2 O/Li 2 O + K 2 O/K 2 O + Na 2 O) for series B and D]. The X-ray diffraction (XRD) patterns of all the prepared glasses indicate their amorphous nature. The spectroscopic properties of the prepared glasses were studied by optical absorption analysis, photoluminescence excitation (PLE) and photoluminescence (PL) analysis. A green emission corresponding to the 5 D 4 → 7 F 5 (543 nm) transition of the Tb 3+ ions was registered under excitation at 379 nm for series A and B glasses. The emission spectra of the Sm 3+ ions with the series C and D glasses showed strong reddish-orange emission at 600 nm ( 4 G 5/2 → 6 H 7/2 ) with an excitation wavelength λ exci = 404 nm ( 6 H 5/2 → 4 F 7/2 ). Furthermore, the change in the luminescence intensity with the addition of an alkali oxide and combinations of these alkali oxides to borosilicate glasses doped with Tb 3+ and Sm 3+ ions was studied to optimize the potential alkali-oxide-modified borosilicate glass. Copyright © 2017 John Wiley & Sons, Ltd.

Pulsed laser deposition of epitaxial Sr(RuxSn1-x)O3 thin film electrodes and KNbO3/Sr(RuxSn1-x)O3 bilayers

International Nuclear Information System (INIS)

Christen, H.M.; Boatner, L.A.; English, L.Q.; Geea, L.A.; Marrero, P.J.; Norton, D.P.

1995-01-01

Sr(Ru x Sn 1-x ) 3 is proposed as a new conducting oxide for use in epitaxial multilayer structures. The Sr(Ru o 48 Sn 0.52 )0 3 composition exhibits an excellent lattice match with (100)-oriented KTaO 3 , and films of this composition grown by pulsed laser deposition on KTaO 3 , SrTiO 3 , and LaAlO 3 substrates have been analyzed by X-ray diffraction, Rutherford backscattering/ion channeling, and resistivity measurements. Epitaxial KNbO 3 /Sr(Ru 0.48 Sn 0.52 )O 3 bilayers have been successfully grown

Single crystal growth and structure refinements of CsMxTe2-xO6 (M = Al, Ga, Ge, In) pyrochlores

International Nuclear Information System (INIS)

Siritanon, Theeranun; Sleight, A.W.; Subramanian, M.A.

2011-01-01

Graphical abstract: Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown and structure refinements indicate deviations from ideal stoichiometry presumably related to mixed valency of tellurium. Highlights: → Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown. → Structure refinements from single crystal X-ray diffraction data confirm e structure. → Deviations from ideal stoichiometry suggest mixed valency of tellurium and hence conductivity. -- Abstract: Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown from a TeO 2 flux. Structure refinements from single crystal X-ray diffraction data are reported. These results are used to discuss deviations from ideal stoichiometry that result in electronic conductivity presumably related to mixed valency of tellurium.

Influence of the valence states of atoms on conducting properties of PrBa2Cu3O6+x

International Nuclear Information System (INIS)

Romanenko, A.I.; Zakharchuk, N.F.; Naumov, N.G.; Fedorov, V.E.; Paek, U.H.

1997-01-01

Pr 3+ valent state only was discovered in PrBa 2 Cu 3 O 6+x within the oxygen content range 0.4 ≤ x ≤ 0.6. Out of this range, Pr 4+ state appears also. All the samples obtained showed insulating behavior of resistivity r(T). In PrBa 2 Cu 3 O 6+x (0.4 ≤ x ≤ 0.6), the resistivity is Mott variable-range hopping conduction type and is connected with oxygen disorder only. Out of this range, the localization is much stronger; this increase is due to Pr 4+ /Pr 3+ position disorder. Also, the localization decreases after annealing at room temperature is the result of ordering. Thus, the absence of metallic (and therefore superconducting) state in PrBa 2 Cu 3 O 6+x is due to the presence of both Pr 4+ and Pr 4+ /Pr 3+ disorder

The effect of Mn substitution on the structure and magnetic properties of Se(Cu1-xMnx)O3 solid solution

International Nuclear Information System (INIS)

Escamilla, R; Duran, A; Rosales, M I; Moran, E; Alario-Franco, M A

2003-01-01

The effects of Mn substitution on the structure and magnetic properties of the SeMO 3 (M = Cu 1-x Mn x ) solid solution have been studied. Rietveld refinements of the x-ray diffraction patterns of these samples indicate that the manganese ions occupy copper sites. This replacement induces significant changes in the M-O bond lengths that give rise to abrupt decreases of the [M-O 6 ] octahedral distortion. In contrast, the M-O(1)-M and M-O(2)-M bond angles remain essentially constant. The magnetic behaviour of this solid solution was studied in the temperature range of 2 K 3 . At about 10% of Mn there is a change from positive to negative Weiss constant θ W that is mainly due to the [M-O 6 ] octahedral distortion introduced by the substitution of the larger Mn ions in the structure. The M- H isotherms show a weak ferromagnetism at about 52 K in SeMnO 3

Two-magnon Raman scattering in dielectric and superconducting YBa2Cu3O6+x crystals

International Nuclear Information System (INIS)

Zaitsev, S. V.; Maksimov, A. A.; Tartakovskii, I. I.

2010-01-01

Two-magnon Raman scattering in dielectric, as well as superconducting, YBa 2 Cu 3 O 6+x single crystals with mobile oxygen content x = 0.2-0.7 and superconducting transition temperature T c = 0-74 K is studied in detail. Doping with oxygen in the range of x = 0.2-0.5 leads to two-magnon scattering peak broadening and a shift in the spectral position of the peak towards lower energies. The most significant qualitative changes in two-magnon scattering in YBa 2 Cu 3 O 6+x crystals are observed in a narrow oxygen concentration range near x = 0.7. This is explained by a considerable decrease in the correlation length ξ AF of antiferromagnetic (AF) correlations upon an increase in the concentration of free carriers. For instance, doping is accompanied with a reduction of ξ AF to values of several lattice constants a for x ∼ 0.7, a transition to the regime of short-range AF order, and local scattering of light from a small AF cluster with a size of 3 x 4 lattice constants. An increase in the free charge carrier concentration destroys the short-range AF order in a narrow range of the stoichiometry index near x = 0.7. Experimental data also indicate heterogeneity of cuprate planes at microscopic level, which leads to coexistence of superconducting and AF regions in YBa 2 Cu 3 O 6+x super-conducting crystals.

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 ...

Oxygen permeation and stability of La 0.4Ca 0.6Fe 1-xCo xO 3-δ ( x = 0, 0.25, 0.5) membranes

Science.gov (United States)

Diethelm, S.; Van herle, J.; Middleton, P. H.; Favrat, D.

Three perovskite-type compounds of composition La 0.4Ca 0.6Fe 1- xCo xO 3- δ ( x=0, 0.25 and 0.5) were investigated for use as oxygen separation membranes for the partial oxidation (POX) of methane to syngas. Special attention was given to the question of their stability in real operating conditions. A permeation set-up was specially designed to measure oxygen fluxes through these materials when placed in a strong pO 2 gradient. It also facilitated testing the long-term stability of the specimen. Permeation measurements performed in an air/argon gradient between 800 and 1000 °C showed that the highest fluxes were obtained with the highest content of cobalt (La 0.4Ca 0.6Fe 0.5Co 0.5O 3- δ ≅ La 0.4Ca 0.6Fe 0.75Co 0.25O 3- δ > La 0.4Ca 0.6FeO 3- δ). In addition, comparison between the fluxes of samples of different thickness gave clear evidence of surface limitations in the oxygen transport. The long-term stability test showed opposite trends: only the two lowest Co containing compounds ( x=0 and 0.25) sustained an air/(Ar+H 2) gradient over more than 600 h. The other ( x=0.5) broke shortly after the introduction of H 2. In the presence of H 2, the oxygen flux was increased by a factor 10 compared to Ar and reached 0.83 μmol/cm 2 s for La 0.4Ca 0.6Fe 0.75Co 0.25O 3- δ at 900 °C. Post-operation SEM examination of the cross-section and both surfaces revealed that the surface exposed to H 2 had started to decompose resulting in the formation of a thin porous layer but the bulk of the material remained unchanged.

Measurement of L X-ray intensity ratios in tantalum by proton and Si-ion impact

International Nuclear Information System (INIS)

Braich, J.S.; Dhal, B.B.; Singh, B.P.; Padhi, H.C.; Khurana, C.S.; Verma, H.R.

1996-01-01

The Lι, Lβ 1,4,6 , Lβ 2,15,3 , Lγ 1 , Lγ 2,3,6 and Lγ 4,4' , X-ray intensities relative to the Lα, caused by the impact of protons of energy 1 to 4.6 MeV and Si-ions of 70 to 98 MeV on Ta targets, h ave been measured. The results show that the intensity ratios drop significantly for all transitions except Lγ 2,3,6 /Lα with Si-ions of the same energy/amu as compared to those of protons. The experimental results have been compared with those based on the ECPSSR theoretical values. From the energy shift and change in the intensity ratios of various transitions caused by Si-ion impact, the number of outer shell vacancies in the M, N and O-shells simultaneous to that of L-shell have been estimat ed. (orig.)

Influence of the manganese and cobalt content on the electrochemical performance of P2-Na0.67MnxCo1-xO2 cathodes for sodium-ion batteries.

Science.gov (United States)

Hemalatha, K; Jayakumar, M; Prakash, A S

2018-01-23

The resurgence of sodium-ion batteries in recent years is due to their potential ability to form intercalation compounds possessing a high specific capacity and energy density comparable to existing lithium systems. To comprehend the role of cobalt substitution in the structure and electrochemical performance of Na 0.67 MnO 2 , the solid solutions of P2-Na 0.67 Mn x Co 1-x O 2 (x = 0.25, 0.5, 0.75) are synthesized and characterized. The XRD-Rietveld analysis revealed that the Co-substitution in Na 0.67 MnO 2 decreases lattice parameters 'a' and 'c' resulting in the contraction of MO 6 octahedra and the enlargement of inter-layer 'd' spacing. XPS indicates that the isovalent cobalt substitution in Na 0.67 MnO 2 results in the partial/complete replacement of Jahn-Teller active trivalent manganese to form low-spin complexes of better structural stability. The Na-ion diffusion coefficient, D Na + , derived from cyclic voltammetry and impedance spectroscopy, confirmed the enhanced mass transport in Co-rich phases compared to Mn-rich phases. Furthermore, higher diffusion coefficient values are observed for Co 3+ /Co 4+ than for their Mn 3+ /Mn 4+ redox processes. In addition, Co-rich phases exhibit a high structural stability and superior capacity retention, whereas Mn-rich phases discharge higher capacities.

Structure, glass transition temperature and spectroscopic properties of 10Li2O-xP2O5-(89-x)TeO2-1CuO (5≤x≤25 mol%) glass system.

Science.gov (United States)

Upender, G; Babu, J Chinna; Mouli, V Chandra

2012-04-01

X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), energy dispersive X-ray spectrometry (EDS), differential scanning calorimetry (DSC), infrared (IR), Raman, electron paramagnetic resonance (EPR) and optical absorption studies on 10Li2O-xP2O5-(89-x)TeO2-1CuO glasses (where x=5, 10, 15, 20 and 25 mol%) have been carried out. The amorphous nature of the glasses was confirmed using XRD and FESEM measurements. The glass transition temperature (Tg) of glass samples have been estimated from DSC traces and found that the Tg increases with increasing P2O5 content. Both the IR and Raman studies have been showed that the present glass system consists of [TeO3], [TeO4], [PO3] and [PO4] units. The spin-Hamiltonian parameters such as g∥, g⊥, and A∥ have been determined from EPR spectra and it was found that the Cu2+ ion is present in tetragonal distorted octahedral site with [Formula: see text] as the ground state. Bonding parameters and bonding symmetry of Cu2+ ions have been calculated by correlating EPR and optical data and were found to be composition dependent. Copyright © 2012 Elsevier B.V. All rights reserved.

Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

Science.gov (United States)

Wildner, M.; Marinova, D.; Stoilova, D.

2016-02-01

The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

O{sub 2}(X{sup 3}Σ{sub g}{sup −}) and O{sub 2}(a{sup 1}Δ{sub g}) charge exchange with simple ions

Energy Technology Data Exchange (ETDEWEB)

Ziółkowski, Marcin; Schatz, George C., E-mail: schatz@chem.northwestern.edu [Department of Chemistry, Northwestern University, Evanston, Illinois 60208-3113 (United States); Viggiano, A. A.; Midey, Anthony [Air Force Research Laboratory, Space Vehicles Directorate, 3500 Aberdeen Ave, Kirtland AFB, New Mexico 87117 (United States); Dotan, Itzhak [Air Force Research Laboratory, Space Vehicles Directorate, 3500 Aberdeen Ave, Kirtland AFB, New Mexico 87117 (United States); Open University of Israel, 108 Ravutski St., Raanana 43107 (Israel)

2014-06-07

We present theory and experiments which describe charge transfer from the X{sup 3}Σ{sub g}{sup −} and a{sup 1}Δ{sub g} states of molecular oxygen and atomic and molecular cations. Included in this work are new experimental results for O{sub 2}(a{sup 1}Δ{sub g}) and the cations O{sup +}, CO{sup +}, Ar{sup +}, and N{sub 2}{sup +}, and new theory based on complete active space self-consistent field method calculations and an extended Langevin model to calculate rate constants for ground and excited O{sub 2} reacting with the atomic ions Ar{sup +}, Kr{sup +}, Xe{sup +}, Cl{sup +}, and Br{sup +}. The T-shaped orientation of the (X − O{sub 2}){sup +} potential surface is used for the calculations, including all the low lying states up to the second singlet state of the oxygen molecule b{sup 1}Σ{sub g}{sup +}. The calculated rate constants for both O{sub 2}(X{sup 3}Σ{sub g}{sup −}) and O{sub 2}(a{sup 1}Δ{sub g}) show consistent trends with the experimental results, with a significant dependence of rate constant on charge transfer exothermicity that does not depend strongly on the nature of the cation. The comparisons with theory show that partners with exothermicities of about 1 eV have stronger interactions with O{sub 2}, leading to larger Langevin radii, and also that more of the electronic states are attractive rather than repulsive, leading to larger rate constants. Rate constants for charge transfer involving O{sub 2}(a{sup 1}Δ{sub g}) are similar to those for O{sub 2}(X{sup 3}Σ{sub g}{sup −}) for a given exothermicity ignoring the electronic excitation of the O{sub 2}(a{sup 1}Δ{sub g}) state. This means (and the electronic structure calculations support) that the ground and excited states of O{sub 2} have about the same attractive interactions with ions.

Neutron scattering studies of spin correlations in metallic YBa2Cu3O6+x

International Nuclear Information System (INIS)

Tranquada, J.M.

1991-01-01

Electron-electron correlations appear to play an important role in determining many properties of the copper oxide superconductors. One significant consequence of the electronic coulomb interactions are spin correlations. In the insulating phases of the layered cuprates, where the antibonding band due to Cu 3d x 2 - y 2 -O 2p σ hybridization in the CuO 2 planes is half filled, long-range antiferromagnetic order is observed. As the layers are doped with holes, the Neel order is rapidly destroyed, but dynamical antiferromagnetic correlations survive. In this paper, I will review some inelastic neutron scattering studies of the spin fluctuations in metallic YBa 2 Cu 3 O 6+x . The paper is organized as follows. In the first section I briefly discuss some background information concerning the phase diagram and spin waves in the insulating phase. Experimental results on metallic YBa 2 Cu 3 O 6+x samples are presented in the second section. The interpretation of these results and their relationship to nuclear magnetic resonance (NMR) studies and to theory are discussed in the final section

Characteristic length scale dependence on conductivity for La2-xErxMo2O9 (0.05 ≤ x ≤ 0.3) oxide ion conductors

Science.gov (United States)

Paul, T.; Ghosh, A.

2016-05-01

Structural property of polycrystalline La2-xErxMo2O9 has been investigated. Rietveld refinements at room temperature of the materials suggest a single phase nature with cubic symmetry (space group P213). The electron density contour plot confirms the nature of different cation-oxygen bonds. Time dependent mean square displacement (√) and the spatial extent of the sub-diffusive motion (√) are evaluated using the linear response theory. The localized hop at O2 and O3 sites is found to be favorable for oxygen ion migration for these systems.

Asperger syndrome and schizophrenia: Overlap of self-reported autistic traits using the Autism-spectrum Quotient (AQ).

Science.gov (United States)

Lugnegård, Tove; Hallerbäck, Maria Unenge; Gillberg, Christopher

2015-05-01

In clinical practice, the differential diagnosis of Asperger syndrome (AS) versus schizophrenia can be a challenge. Some self-report instruments-such as the Autism-spectrum Quotient (AQ)-have been portrayed as proxies for the diagnosis of AS. However, it has not been demonstrated to what extent autistic traits-as measured by the AQ-separate AS from schizophrenia. To examine the AS-schizophrenia discriminating ability of the AQ. The AQ is a 50-item self-administered questionnaire (with score range 0-50) for measuring "autistic traits" in adults. Here, it was completed by 136 individuals: 36 with schizophrenic psychosis, 51 with AS and 49 non-clinical comparison cases. A receiver operating characteristic (ROC) analysis for the total AQ score was performed to examine the discriminating power of the instrument. Both individuals with schizophrenia and individuals with AS scored significantly higher on AQ than the non-clinical group. The mean total AQ score (± standard deviation) of the AS group (26.7 ± 8.9; range 9-44) was significantly higher than that of the schizophrenia group (22.7 ± 6.2; range 10-35) (P = 0.041). However, when using the full Likert scale for scoring, the difference did not reach significance. In the ROC analysis of total AQ scores for AS versus schizophrenia, the area under the curve (AUC) was 0.65 (P = 0.02). Although mean AQ scores separated AS and schizophrenia at a group comparison level, significant overlap of AQ scores across the two diagnostic groups clearly reduces the discriminating power of the AQ in the separation of schizophrenia from AS.

Mixed Alkali Effect in (40-x)K2O-xLi2O-10Na2O-50B2O3 Glasses - Physical and Optical Absorption Studies

Science.gov (United States)

Samee, M. A.; Ahmmad, Shaikh Kareem; Taqiullah, Sair. Md.; Edukondalu, A.; Bale, Shashidhar; Rahman, Syed

So far only a handful of publications have been concerned with the study of the mixed alkali effect in borate glasses containing three types of alkali ions. In the present work, the mixed alkali effect (MAE) has been investigated in the glass system (40-x) K2O-x Li2O -10Na2O-50B2O3.(0≤x≤40 mol%) through density and modulated DSC studies. The density and glass transition temperature of the present glasses varies non-linearly exhibiting mixed alkali effect. We report the mixed alkali effect in the present glasses through optical properties. From the absorption edge studies, the various values of optical band gap (Eo) and Urbach energy (ΔE) have been evaluated. The values of Eo and ΔE show non-linear behavior with compositional parameter showing the mixed alkali effect. The band gap energy based average electronic polarizability of oxide ions αO2-(Eo), optical basicity A(Eo), and Yamashita-Kurosawa’s interaction parameter A(Eo) have been examined to check the correlations among them and bonding character. Based on good correlation among electronic polarizability of oxide ions, optical basicity and interaction parameter, the present K2O- Li2O-Na2O-B2O3 glasses are classified as normal ionic (basic) oxides.

Structure of 19O from measurement and R-matrix analysis of sigma(theta) for 18O(n,n)18O and 18O(n,n')18Osup(*) (1.98 MeV)

International Nuclear Information System (INIS)

Koehler, P.E.; Knox, H.D.; Resler, D.A.; Lane, R.O.

1986-01-01

Differential cross sections for neutrons elastically scattered from 18 O and inelastically scattered to the first excited state 18 Osup(*) (1.98 MeV) have been measured at forty-two incident energies for 5.0 19 O of 8.7 to 11.1 MeV. The cross sections were measured at eleven laboratory angles per energy from 20 0 to 160 0 and show considerable resonance structure. These new elastic and inelastic 1.98 MeV level data have been analyzed together with previously published cross sections for 0 19 O. The new assignments are compared to previous work where possible. Several previous assignments for resonances in the 0 19 F for the newly assigned levels in 19 O. On the basis of spin, parity, excitation energy and a comparison of reduced neutron widths in 19 O with reduced proton widths in 19 F, six previously-identified T=3/2 analogs were verified and eight new T=3/2 analogs were tentatively assigned. Comparisons with existing theoretical work are discussed. (orig.)

Mn induced ferromagnetism spin fluctuation enhancement in Sr{sub 2}Ru{sub 1−x}Mn{sub x}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Zheng, Long; Cai, Jinzhu; Xie, Qiyun; Lv, Bin [Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Mao, Z.Q. [Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118 (United States); Wu, X.S., E-mail: xswu@nju.edu.cn [Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China)

2013-09-15

We establish that Sr{sub 2}RuO{sub 4} is extremely close to incommensurate spin density wave instability. With increasing Mn content, the RuO{sub 6} octahedron in the unit cell varies. The octahedron of RuO{sub 6} contracts along c-axis for x<0.20, Mn element mainly showing the +3 chemical valence (Mn{sup 3+}), and it expands along c-axis with further increasing Mn content (x>0.20), and Mn element shows the +4 chemical valence (Mn{sup 4+}). Spin-glass-related ferromagnetism enhancement is observed for x>0.20, which indicates the critical ferromagnetic spin fluctuation due to Mn doping in Sr{sub 2}Ru{sub 1−x}Mn{sub x}O{sub 4}. - Highlights: • The chemical valence of Mn ions changed from Mn{sup 3+} to Mn{sup 4+} with the increase of Mn content. • Spin-glass-related ferromagnetism enhancement behavior is observed. • The electrical resistivity can be fitted using Mott's variable-range hopping model. • The evolution of octahedron with increase of Mn content is given. • The spin fluctuation effect plays an important role in the magnetic property.

Spectroscopic properties and thermal stability of Er3+ -doped TeO2-B2O3-Nb2O5-ZnO glass for potential WDM amplifier.

Science.gov (United States)

Xu, Tiefeng; Zhang, Xudong; Li, Guangpo; Dai, Shixun; Nie, Qiuhua; Shen, Xiang; Zhang, Xianghua

2007-06-01

A series of novel 70TeO2-(15-x)B2O3-xNb2O5-15ZnO-1wt.% Er2O3 (TBN x=0, 3, 6, 9, 12 and 15 mol%) tellurite glasses were prepared. The thermal stability, absorption spectra, emission spectra, and the lifetime of the (4)I(13/2) level of Er(3+) ions were measured and investigated. Three Judd-Ofelt intensity parameters Omega(t) (t=2, 4 and 6) (Omega(2)=(5.42-6.76)x10(-20)cm(2); Omega(4)=(1.37-1.73)x10(-20)cm(2); Omega(6)=(0.70-0.94)x10(-20)cm(2)) of Er(3+) ions were calculated by Judd-Ofelt theory. It is found that the Omega(6) first increases with the increase of Nb2O5 content from 0 to 6 mol% and then decreases, which is mainly affected by the number of non-bridging oxygen ions of the glass network. The high peak of stimulated emission cross-section (sigma(e)(peak)=(0.77-0.91)x10(-20)cm(2)) of Er(3+): (4)I(13/2)-->(4)I(15/2) transition were obtained according to McCumber theory and broad full width at half maximum (FWHM=65-73 nm) of the (4)I(13/2)-->(4)I(15/2) transition of Er(3+) ions were measured. The results indicate that these new TBN glasses can be used as a candidate host material for potential broadband optical amplifiers.

Study of the structural and thermal stability of Li0.3Co2/3Ni1/6Mn1/6O2