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1.
Инвентарный номер: нет.
   
   E 43


   
    Electronic Structure and Magnetic States of Crystalline and Fullerene-Like Forms of Nickel Dichloride NiCl2 / A. N. Enyashin, N. I. Medvedeva, Yu. E. Medvedeva, A. L. Ivanovskii // Physics of the Solid State. - 2005. - Vol. 47, № 3. - P527-530 : il. - Bibliogr. : p. 530 (12 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ДИХЛОРИД НИКЕЛЯ -- ФУЛЛЕРЕНЫ -- ФЕРРОМАГНЕТИКИ -- СТЕХИОМЕТРИЯ
Аннотация: The electronic structure and magnetic properties of the crystalline and fullerene-like forms of nickel dichloride NiC² are investigated in the framework of the local spin density functional theory. It is demonstrated that the band gap can be reproduced in the energy band spectrum of the NiCl² compound with inclusion of the magnetic ordering in the calculation of the band structure. The metamagnetic nature of the NiCl² dichloride (i.e., the transition from an antiferromagnetic phase to a ferromagnetic phase in a weak magnetic field) is explained in terms of a small difference (0.025 eV/cell) between the total energies of the ferromagnetic and antiferromagnetic phases. Polyhedral three-shell nanoparticles of the NiCl² compound exhibit magnetic properties (the magnetic moment of nickel lies in the range 2.0–2.3 µβ). For isostructural nanoparticles of the FeCl² dichloride, the magnetic moment of iron is larger and falls in the range 4.2–4.5 µβ, whereas nanoparticles of the CdCl² dichloride are found to be nonmagnetic. The results of analyzing the interatomic interactions indicate that the composition of fullerene-like nanoparticles of the dichlorides under investigation can deviate from the 1 : 2 stoichiometric composition

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2.
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   S 89


   
    Structural stability and ion transport in LaSr2Fe1-yCryO8+δ / V. L. Kozhevnikov, I. A. Leonidov, M. V. Patrakeev, J. A. Bahteeva // NATO Science Series II Mathematics, Physics and Chemistry, 2006, Volume 202, Fuel Cell Technologies State and Perspectives. - 2006. - Vol. 202: Fuel Cell Technologies State and Perspectives. - P149-155 : il. - Bibliogr. : p. 155 (2 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КИСЛОРОДНАЯ ПРОВОДИМОСТЬ -- ЭЛЕКТРОННАЯ ПРОВОДИМОСТЬ -- ФЕРРИТЫ ЛАНТАН-СТРОНЦИЕВЫЕ -- ПЕРОВСКИТЫ
Аннотация: Ceramic samples of LaSr2Fe3-yCryO8+δ are characterized with X-ray powder diffraction and total conductivity measurements in the temperature range 750- 950°C and at oxygen partial pressures between 10-22 and 0.5 atm. It is shown that partial replacement of iron for chromium is an effective means to prevent structural transformation at the loss of oxygen. The isothermal ion conductivity is obtained from the analysis of the total conductivity, and it is shown to decrease with the increase in chromium doping to y = 0.6. However further increase in the chromium content to y = 1 results in an increase in the oxygen ion conductivity level. This behavior is explained with a model where the oxygen ions coordinated to chromium are not excluded entirely from the transport mechanism

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3.
Инвентарный номер: нет.
   
   S 90


   
    Study of the Re0.50Rh0.50 products of thermobaric treatment / S. A. Gromilov, T. V. D’yachkova, K. V. Yusenko, I. B. Kireenko, A. P. Tyutyunnik, Yu. G. Zainullin // Journal of Structural Chemistry. - 2009. - Vol. 50, № 2. - P306-311 : il. - Bibliogr. : p. 310-311 (20 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
РОДИЙ -- РЕНИЙ -- МИКРОТВЕРДОСТЬ -- РЕНТГЕНОФАЗОВЫЙ АНАЛИЗ -- ТЕРМОЛИЗ
Аннотация: The products of thermobaric treatment of the metastable Re0.50Rh0.50 nanocrystalline phase (a = 2.733(2) Å, c = 4.364(4) Å, space group P63/mmc, CSR ~5 nm) in a high-pressure chamber were studied. Storage of the phase at 2000C and 1.5 GPa for 3 min led to the formation of a fused particle (diam.~1 mm). The initial composition did not change, but the coherent scattering region (CSR) increased to 52 nm. An increase to 4 GPa in pressure also did not lead to a decomposition of the metastable Re0.50Rh0.50 phase, the unit cell parameters remained the same, and the size of the CSR increased by a factor of four

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4.
Инвентарный номер: нет.
   
   M 61


   
    Metatitanic Acid: Synthesis and Properties / T. A. Denisova, L. G. Maksimova, E. V. Polyakov, N. A. Zhuravlev, S. A. Kovyazina, O. N. Leonidova, D. F. Khabibulin, E. I. Yur`eva // Russian Journal of Inorganic Chemistry. - 2006. - Vol. 51, № 5. - P691-699 : il. - Bibliogr. : p. 699 (24 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МЕТАТИТАНОВАЯ КИСЛОТА -- ТИТАНАТ ЛИТИЯ
Аннотация: Features of proton-for-lithium ion substitution in monoclinic and pseudocubic lithium titanate are studied by X-ray diffraction, NMR spectroscopy, and Raman spectroscopy. Proton incorporation into the lithium titanate structure decreases the parameter ac of the pseudocubic unit cell from 8.28 Å in Li2TiO3 to ≈ 8.15Å in H2TiO3. Metatitanic acid, like hydrous titania, has weak acid properties, but unlike titania, it sorbs hydrolyzable multicharged cations from aqueous solutions

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5.
Инвентарный номер: нет.
   
   B 33


    Bazuev, G. V.
    Synthesis and Magnetic Properties of Quasi-Unidimensional Oxide Sr6.3Rh2.35Mn2.35O15 / G. V. Bazuev, T. I. Chupakhina, M. A. Melkozerova // Russian Journal of General Chemistry. - 2008. - Vol. 78, № 10. - P1843-1848 : il. - Bibliogr. : p. 1847-1848 (33 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КВАЗИОДНОМЕРНЫЕ ОКСИДЫ -- МАГНИТНЫЕ СВОЙСТВА
Аннотация: Attempts of the synthesis in air of complex oxides Sr3RhMnOx and Sr4Rh1.5Mn1.5Ox resulted in revealing formation of a new oxide phase Sr6.3Rh2.35Mn2.35O9 related to quasi-unidimensional family A3n+3mA'nВ3m+nO9m+6n at n = 1 and m = 1. Its structural characteristics and magnetic properties are studied. X-ray data of the obtained phase is indicated on the basis of trigonal cell (spatial group P321) with the parameters: a 9.6239(4) Å; с1 4.1130(4) Å, с2 2.4946(2) Å. Manganese and rhodium exist in the compound as the cations Mn4+, Rh3+ and Rh4+, as follows from the data of measuring of magnetic susceptibility in the range 2–300 K

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6.
Инвентарный номер: нет.
   
   E 27


   
    Effect of Electronic State of Ions on the Electrochemical Properties of Layered Cathode Materials LiNi1-2xCoxMnxO2 / N. V. Kosova, E. T. Devyatkina, V. V. Kaichev, D. G. Kellerman // Russian Journal of Electrochemistry. - 2008. - Vol. 44, № 5. - P543-549. - Bibliogr. : p. 548-549 (31 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СЛОИСТЫЕ КАТОДНЫЕ МАТЕРИАЛЫ -- ЛИТИЕВО-ИОННЫЕ БАТАРЕИ -- МАГНИТНАЯ ВОСПРИИМЧИВОСТЬ
Аннотация: The cathode materials of the composition LiNi1– 2xCoxMnxO2(x= 0.1, 0.2. 0.33) synthesized from the Ni, Co, Mn mixed hydroxides and LiOH by using mechanical activation method are studied. It is shown that all synthesized compounds have layered structure described by the space group R-3m. With the decreasing of the nickel content the cell volume and the degree of structure disordering decrease. According to XPS data, the electronic main state of d-ions at the prepared samples' surfaces corresponds to Ni2+,Co3+, and Mn4+. Anincrease in the nickel content leads to the increase of the Ni2p3/2and Co2p3/2binding energy, which points to the change in the Me–O bond covalence. According to magnetic susceptibility measurements data, the nickel ions in LiNi0.6Co0.2Mn2O 2 exist in the two oxidation states: Ni2+and Ni3+. It is shown that this sample has the highest specific discharge capacity (~170 mAh/g). The positions of redox peaks in the differential capacitance curves depend on the sample composition: with the increasing of nickel content they are shifted toward lower voltages

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7.
Инвентарный номер: нет.
   
   C 51


    Cherkashenko, V. M.
    Influence of pressure on the x-ray spectra and electronic structure of vanadium oxycarbide and vanadium oxynitride / V. M. Cherkashenko, E. Z. Kurmaev, Yu. G. Zainulin // Journal of Structural Chemistry. - 1988. - Vol. 29, № 2. - P311-313 : il. - Bibliogr. : p. 313 (8 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИНИТРИД ВАНАДИЯ -- ОКСИКАРБИД ВАНАДИЯ
Аннотация: Investigations of the oxides of titaniumand vanadium following treatment under the conditions of high pressures (P) and temperatures (t) [1-3] showed that such treatment results in changes in a number of structural physical characteristics (the lattice constant, the number of particles in the unit cell, and the volume of the latter) and electronic properties (the magnetic susceptibility and x-ray emission spectra)

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8.
Инвентарный номер: нет.
   
   Г 96


    Гусев, А. И.
    Сверхструктуры Ti2O5 кубического монооксида титана / А. И. Гусев // Журнал экспериментальной и теоретической физики. - 2013. - Т. 144, № 2. - С. 340-357 : ил. - Библиогр.: с. 356-357 (40 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОНООКСИД ТИТАНА -- НЕСТЕХИОМЕТРИЯ
Аннотация: A cubic model is proposed for the Ti5O5 (Ti5 O5 ≡ Ti90 18O90 18) superstructure of nonsto ichiometric titanium monoxide TixOz with double imperfection. The unit cell of the cubic Ti5O5 superstruc ture has the threefold lattice parameter of the unit cell of the basis disordered B1 structure of TixOz monoxide and belongs to space group Pm m. The channel of the disorder–order transition, i.e., TixOz (space groupFm m)–Ti5O5 (space group Pm m), includes 75 superstructure vectors of seven stars {k10}, {k7}, {k6(1)}, {k6(2)}, {k4(1)}, {k4(2)}, and {k1}. The distribution functions of Ti and O atoms over the sites of the cubic Ti5O5 superstructure are calculated. A comparison of the X ray and electron diffraction data obtained for ordered TiO1.087 monoxide with the theoretical simulation results supports the existence of the cubic Ti5O5 super structure. The cubic (space group Pm m) Ti5O5 superstructure is shown to be a high temperature structure relative to the well known monoclinic (space group C2/m) superstructure of the same type

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9.
Инвентарный номер: нет.
   
   C 91


   
    Crystal structure, morphotropic phase transition and luminescence in the new cyclosilicates Sr3R2(Si3O9)2, R=Y, Eu–Lu / A. P. Tyutyunnik, I. A. Leonidov, L. L. Surat, I. F. Berger, V. G. Zubkov // Journal of Solid State Chemistry. - 2013. - Vol. 197. - P447-455 : il. - Bibliogr. : p. 454-455 (71 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
РЕНТГЕНОВСКАЯ ДИФРАКЦИЯ -- СИЛИКАТЫ -- ЛЮМИНЕСЦЕНЦИЯ
Аннотация: A new series of promising luminescent materials, cyclosilicates Sr3R2(Si3O9)2, R=Y, Eu–Lu, has been synthesized via a solid-state reaction. X-ray and neutron powder diffraction studies show that these oxides crystallize in the monoclinic crystal system (S.G. C2/c, Z=4) and have a morphotropic phase transition between Er and Tm compounds followed by a step-like change of the unit cell constants. Isolated [Si3O9] rings located in layers are basic building units and stack with Sr/R layers along the [1 0 ] direction. The rare earth atoms are distributed among three independent Sr/R sites coordinated by 8, 7 and 6 oxygen atoms, and the Sr-R populations change from mixed to 0.5/0.5 over site (1) and full occupation of sites (2) and (3) by Sr and R, respectively, at the transition. Changes of the conformation and mutual arrangement of [Si3O9] rings, as well as exchange of oxygen atoms from the first and the second coordination sphere of two Sr/R sites also feature the phase transition. Luminescence in Sr3Y2(Si3O9)2:Eu3+ under ultraviolet (UV) excitation has been discussed

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10.
Инвентарный номер: нет.
   
   C 91


   
    Crystal structures of double vanadates LiCoVO4 and Li0:5Co1:25VO4 / O. N. Leonidova, V. I. Voronin, I. A. Leonidov, R. F. Samigullina, B. V. Slobodin // Journal of Structural Chemistry. - 2003. - Vol. 44, № 2. - P243-247 : il. - Bibliogr. : p. 247 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ВАНАДАТЫ -- ШПИНЕЛИ -- ЭЛЕКТРОННАЯ СТРУКТУРА -- ЛИТИЙ
Аннотация: The crystal structures of vanadates Li1-2xCo1+xVO4 with x = 0 and 0:25 have been studied by a full pattern analysis. It has been shown that in cubic spinel LiCoVO4 (space group Fd3m), the 8a tetrahedral sites contain a majority of vanadium and a small amount of lithium; all cobalt, lithium, and a small amount of vanadium occupy the 16d octahedral sites. Li0.5Co1.25VO4 crystals belong to the rhombic system (Imma space group) with unit cell parameters a = 5:939(1) A, b = 5:810(1) A, and c = 8:303(1) A. On substitution of lithium by cobalt according to the scheme 2Li+ -> Co2+ + , half of the lithium and 70% of the vacancies formed are in the 4a octahedral sites, and one-third of lithium and most of cobalt occupy the 4d octahedral sites. The 4e tetrahedral sites are completely occupied by vanadium and lithium in a ratio of 0:92=0:08. The interatomic distances in LiCoVO4 and Li0.5Co1.25VO4 are calculated, and the sizes of lithium ion transport channels are evaluated

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