H 99 Influence of the deposition parameters on the composition, structure and X-ray photoelectron spectroscopy spectra of Ti-N films [] / M. V. Kuznetsov, M. V. Zhuravlev, E. V. Shalaeva, V. A. Gubanov // Thin Solid Films. - 1992. - V. 215, N 1. - С. 1-7 . - ISSN 0040-6090 Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ОСАЖДЕНИЕ -- ПЛЕНКИ -- СПЕКТРОСКОПИЯ ФОТОЭЛЕКТРОННАЯ -- ФОТОЭЛЕКТРОННАЯ СПЕКТРОСКОПИЯ -- СТРУКТУРА КРИСТАЛЛИЧЕСКАЯ -- КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА -- СПЕКТРОСКОПИЯ -- СПЕКТРОСКОПИЯ РЕНТГЕНОВСКАЯ -- РЕНТГЕНОВСКАЯ СПЕКТРОСКОПИЯ -- Ti-N -- ТИТАН -- АЗОТ -- СИСТЕМЫ ДВОЙНЫЕ -- ДВОЙНЫЕ СИСТЕМЫ |
C 94 Cubic solid solution TixSiyNz(O) films: Synthesis, structure and electronic properties [] / M. V. Kuznetsov, E. V. Shalaeva, S. V. Borisov, B. V. Mitrofanov, A. L. Ivanovsky, G. P. Shveikin // Mendeleev Communications. - 1995. - N 3. - С. 94-96 . - ISSN 0959-9436 Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ПЛЕНКИ ПОЛИКРИСТАЛЛИЧЕСКИЕ -- ПОЛИКРИСТАЛЛИЧЕСКИЕ ПЛЕНКИ -- СВОЙСТВА ЭЛЕКТРОННЫЕ -- ЭЛЕКТРОННЫЕ СВОЙСТВА -- РАСТВОРЫ ТВЕРДЫЕ -- ТВЕРДЫЕ РАСТВОРЫ -- TiSiN(O) -- Ti -- ТИТАН -- Si -- КРЕМНИЙ -- ДУГОВОЙ МЕТОД -- МЕТОД ДУГОВОЙ Аннотация: Поликристаллические монофазные пленки твердых растворов TixSiyNz(O) со структурой В1 получены дуговым методом (состав мишени Ti0.7Si0.3, температура подложки 470 К, давление N 2 от 6 * 10(-2) до 1 * 10(-1) Па). Параметры решетки полученных кубических фаз изменяются в зависимости от состава от 4,21 до 4,30 А |
K 31 Kellerman, D. G. Cluster Formation in LiNi0.4Fe0.6O2 [Текст] / D. G. Kellerman, E. V. Shalaeva, A. I. Gusev // Physics of the Solid State (Translation of Fizika Tverdogo Tela (Sankt-Peterburg)). - 2004. - Vol. 46, № 9. - С. 1686-1692. - Библиогр. : с. 1692 (32 назв.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ЛИТИЕВЫЕ ИОННЫЕ БАТАРЕИ -- ТВЕРДЫЕ РАСТВОРЫ -- АТОМНАЯ СТРУКТУРА Аннотация: The structure of an LiNi0.4Fe0.6O2 cubic solid solution is determined using magnetic measurements and electron diffraction. It is found that this solid solution has a microinhomogeneous structure due to the formation of superparamagnetic clusters. The electron diffraction analysis of LiNi0.4Fe0.6O2 samples has revealed diffuse scattering characteristic of the substitutional short-range order in ordered solid solutions with a B1-type structure. It is shown that the short-range order is associated with the LiNiO2-type rhombohedral superstructure (space group ), i.e., with the redistribution of lithium and nickel atoms in the (111)B1 alternating planes. The short-range order is observed in regions with a nickel content higher than the mean nickel content corresponding to the macroscopic composition Полный текст |
E 27 Effects of atomic relaxation and the electronic structure of niobium (100) and (110) surfaces [Текст] / K. I. Shein, I. R. Shein, N. I. Medvedeva, E. V. Shalaeva, M. V. Kuznetsov, A. L. Ivanovskii // Fizika Metallov i Metallovedenie. - 2006. - Vol. 102, № 6. - С. 648-654 Рубрики: ХИМИЧЕСКИЕ НАУКИ |
F 56 First-principles study of deformation behavior and structural defects in CuInSe2 and Cu(In,Ga)Se2 [Текст] / N. I. Medvedeva, E. V. Shalaeva, M. V. Kuznetsov, M. V. Yakushev // Physical Review B: Condensed Matter and Materials Physics. - 2006. - Vol. 73, № 3. - С. 035207/1-035207/6. - Библиогр. : с. 035207/5 (39 назв.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ПЕРВОПРИНЦИПНЫЕ РАСЧЕТЫ -- СЕЛЕНИД ИНДИЯ -- СЕЛЕНИД ГАЛЛИЯ -- СЕЛЕНИД МЕДИ Аннотация: Electronic structure and total-energy calculations have been performed for CuInSe2 and Cu In,Ga Se2 using density-functional theory with generalized gradient corrections. To understand the fracture and deformation behavior in chalcopyrites, we calculated the cleavage and generalized stacking fault energies in CuInSe2 and Cu(In,Ga)Se2 and demonstrated a brittle character of crack propagation. Antiphase boundary and intrinsic stacking fault defects have low formation energies and are quite probable in these chalcopyrites. The main slip system and preferable cleavage plane should be (110)(112) and (112), respectively. For the (110)(001) and (110)(001) dislocations in CuInSe2, we predict a strong tendency for splitting in two partials Полный текст |
K 96 Kuznetsov, M. V. Competing adsorption of nitrogen and oxygen at the Ti(0001) Face: XPS examination [Текст] / M. V. Kuznetsov, E. V. Shalaeva // Fizika Metallov i Metallovedenie. - 2004. - Vol. 97, № 5. - С. 59-68 Рубрики: ХИМИЧЕСКИЕ НАУКИ |
S 53 Shalaeva, E. V. Ab initio calculations of the stability and structural defects of the B2 CuxFe1-xAl phases [Текст] / E. V. Shalaeva, N. I. Medvedeva, I. R. Shein // Physics of the Solid State. - 2007. - Vol. 49, № 7. - С. 1253-1258. - Библиогр. : с. 1258 (25 назв.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): АЛЮМИНИДЫ ПЕРЕХОДНЫХ МЕТАЛЛОВ -- AB INITIO РАСЧЕТЫ -- ТВЕРДЫЕ РАСТВОРЫ Аннотация: The stability of the B2 CuxFe1 –xAl phases and the energy of defect formation are studied using ab initio band calculations. For B2CuxFe1 –xAl alloys, vacancies in the 3d-metal sublattice and configurations with the minimum number of Fe–Cu bonds in the first coordination shell (including Fe antisite defects, which have a high local magnetic moment) are most stable. Complicated defect complexes with vacancies and displaced atoms, which are close to the atomic configurations of vacancy-ordered AlCu phases, can exist near the composition Cu0.875Fe0.125Al Полный текст |
R 29 Razinkin, A. S. Low-dimensional NbO structures on the Nb(110) surface:scanning tunneling microscopy, electron spectroscopy anddiffraction / A. S. Razinkin, E. V. Shalaeva, M. V. Kuznetsov // arXiv condenced matter. - 2008. - P.1-7 : il. - Bibliogr. : p. 3 (5 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ОКСИД НИОБИЯ -- СПЕКТРОСКОПИЯ ЭЛЕКТРОННАЯ Аннотация: X-ray photoelectron spectroscopy and diffraction (XPS, XPD) and scanning tunneling microscopy (STM) have been used for study of NbOx-structures on the Nb(110) surface. It is shown that niobium atoms are ordered to form a two-dimensional superstructure with equidistant spacing between the chains of niobium atoms. Chemical shifts of Nb3d- and O1s-levels demonstrate that the oxide layer corresponds to niobium monoxide NbO and the most part of oxygen in chemisorbed state is localized on the surface. A model of quasi-ordered structure of NbO on the Nb(110) surface is proposed |
S 98 Synthesis, Microstructure, and Photocatalytic Characteristics of Quasi One Dimensional Zinc Oxide Doped with d Elements / O. I. Gyrdasova, V. N. Krasil'nikov, E. V. Shalaeva, L. Yu. Buldakova, M. Yu. Yanchenko, V. G. Bamburov // Doklady Chemistry. - 2010. - Vol. 434, № 1. - P. 211-213 : il. - Bibliogr. : p. 113 (9 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ФОТОКАТАЛИЗ -- ОКСИД ЦИНКА -- СИНТЕЗ -- МИКРОСТРУКТУРА |
N 28 Nature of defects in nanocrystalline zinc oxide with particles of tubular morphology / M. A. Melkozerova, V. N. Krasil'nikov, O. I. Gyrdasova, E. V. Zabolotskaya, E. V. Shalaeva, R. F. Samigullina // Theoretical and Experimental Chemistry. - 2012. - Vol. 48, № 3. - P139-142 : il. - Bibliogr. : p. 142 (14 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ОКСИД ЦИНКА -- МАТЕРИАЛЫ НАНОРАЗМЕРНЫЕ -- СТРУКТУРА ДЕФЕКТНАЯ -- ЭПР -- ФОТОКАТАЛИЗ Аннотация: Nanostructured ZnO powders with particles of tubular form were synthesized by a precursor method. A narrow symmetrical line with a g factor of 2.002 was detected in the ESR spectra of the materials. On the basis of analysis of the dependence of the line intensities on the heat treatment conditions it was concluded that the signal belongs to singly charged oxygen vacancies V(+)O \\\\Expert2\\nbo\\Theoretical and Experimental Chemistry\\2012, V.48, № 3, p.139.pdf |
I-70 Investigation of the Conditions for Synthesis of Ce0.9Y0.1O2 Dense Coatings / Yu. A. Bakhteeva, E. V. Shalaeva, I. A. Leonidov, V. L. Kozhevnikov // Glass Physics and Chemistry. - 2008. - Vol. 34, № 4. - P485-491 : il. - Bibliogr. : p. 490-491 (18 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ОКСИДЫ СЕЛЕНО-ИТТРИЕВЫЕ -- ПОКРЫТИЯ -- НАНОПОРОШКИ Аннотация: The conditions for preparation of Ce0.9Y0.1O2 (CYO) oxide coatings on La0.8Sr0.2MnO3(LSM) ceramic substrates by screen printing were investigated. The CYO compound was synthesized by the pyrolysis of polymer–salt composites with the aim of producing submicron powders with a uniform size distribution. Transmission electron microscopy of the microstructure of the CYO compound synthesized with ethylene glycol revealed that the synthesis product consists of ultrafine crystalline particles with an average size of 5–15 nm. The use of CYO nanopowders made it possible to prepare rather dense single-layer coatings on LSM substrates. It was demonstrated that annealing of the coatings at high temperatures leads to the recrystallization and coarsening of particles Полный текст |
S 89 Structural features and enhanced high-temperature oxygen ion transport in SrFe1-xTaxO3-delta / A. A. Markov, E. V. Shalaeva, A. P. Tyutyunnik, V. V. Kuchin, M. V. Patrakeev, I. A. Leonidov, V. L. Kozhevnikov // Journal of Solid State Chemistry. - 2013. - Vol. 197. - P191-197 : il. - Bibliogr. : p. 197 (31 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ФЕРРИТ СТРОНЦИЯ -- ИОННЫЙ ПЕРЕНОС -- ПЕРОВСКИТЫ ДВОЙНЫЕ -- КИСЛОРОДНАЯ НЕСТЕХИОМЕТРИЯ Аннотация: Structural features, oxygen non-stoichiometry and transport properties are studied in the oxide series SrFe1−xTaxO3−δ, where x=0.2, 0.3 and 0.4. X-ray diffraction and electron microscopy data evidence formation of the inhomogeneous materials at x=0.3 and 0.4, which include phase constituents with a cubic perovskite and a double perovskite structure types. The composition, the amount and the typical grain size of the phase inhomogeneities are shown to depend both on doping and oxygen content. The increased oxygen-ion conductivity is observed in oxygen depleted materials, which is explained by the increase in the amount of cubic perovskite-like phase and development of interfacial pathways favorable for enhanced oxygen ion transport Полный текст |
S 53 Shalaeva, E. V. X-ray photoelectron diffraction. Possibilities of surface structural analysis / E. V. Shalaeva, M. V. Kuznetsov // Journal of Structural Chemistry. - 2003. - Vol. 44, № 3. - P465-498 : il. - Bibliogr. : p. 493-498 (241 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ФОТОЭЛЕКТРОННАЯ ДИФРАКЦИЯ Полный текст |
E 27 Effects of Atomic Relaxation and the Electronic Structure of Niobium (100) and (110) Surfaces / K. I. Shein, I. R. Shein, N. I. Medvedeva, E. V. Shalaeva, M. V. Kuznetsov, A. L. Ivanovskii // The Physics of Metals and Metallography. - 2006. - Vol. 102, № 6. - P604-610 : il. - Bibliogr. : p. 609-610 (19 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): НИОБИЙ -- АТОМНАЯ РЕЛАКСАЦИЯ -- АТОМНАЯ СТРУКТУРА -- ПОВЕРХНОСТИ Аннотация: A comparative analysis of the atomic relaxation and electronic structure of niobium (100) and (110) surfaces has been carried out using the VASP-PAW method. The relaxation-induced changes in interlayer spacings of surface layers demonstrate an oscillating behavior but they substantially differ for the two analyzed surfaces; namely for the (110) surface with the closest atomic packing two outermost surface layers are contracted by 4.3% and the relaxation becomes noticeable for three outer layers, while for the more “open” (100) surface these quantities equal 13.1 and six layers, respectively. An analysis of the layer-by-layer distribution of the densities of states, spatial distribution of the charge density, and densities of states at the Fermi level indicates that the most considerable changes near Fermi level take place for (100) surface Полный текст |
O-66 Optical and photocatalytic properties of quasi-one-dimensional ZnO activated by carbon / O. I. Gyrdasova, V. N. Krasil'nikov, E. V. Shalaeva, I. V. Baklanova, M. A. Melkozerova, L. Y. Buldakova, M. Y. Yanchenko // Mendeleev Communications. - 2014. - Vol. 24, № 3. - P143-144 Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): СВОЙСТВА ОПТИЧЕСКИЕ -- УГЛЕРОД |