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1.
Инвентарный номер: нет.
   
   D 67

    Dmitriev, A. V.
    51V NMR of Inclusion Compounds H2V12031- y.nH20 / A. V. Dmitriev, S. G. Arsenov, V. L. Volkov // Journal of Inclusion Phenomena and Molecular Recognition in Chemistry. - 1991. - Vol. 11. - С. 89-95 : il. - Bibliogr. : p. 95 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ЯДЕРНЫЙ МАГНИТНЫЙ РЕЗОНАНС -- КСЕРОГЕЛИ -- ПЛЕНКИ
Аннотация: The parameters of hyperfine interactions on 51V nuclei were determined on films of the inclusion compound H2VI2031-y.n H20 at different stages of hydration. It was established that the axial symmetry plane of the magnetic interaction tensor coincides with the film plane. The most probable direction (40 ° of the film plane) and the magnitude of the electric field gradient (EFG) on 51V nuclei (eqQ/h = 0.233 MHz) were found for a completely dehydrated sample. An analysis of the line width angular dependences of satellites has shown the existence of a disorientation of the main EFG direction with a distribution width of about 50 ° in the film plane. The absence of satellites and the presence of an angular dependence of the 51V NMR central signal of hydrated samples allowed the conclusion that the interaction of the V--O layer with molecules of water led to an increase in the disorientation of the film plane

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2.
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   A 10

   
    A thermoanalytical study of the interaction of vanadium(5) oxide with calcium oxide and calcium carbonate [Text] / А. А. Фотиев, Б. В. Слободин, В. А. Жиляев, И. А. Арапова, Н. П. Тугова // Journal of Thermal Analysis. - 1979. - V. 15, N 2. - P197-206
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ХИМИЯ -- ТЕРМОАНАЛИТИЧЕСКИЕ ИССЛЕДОВАНИЯ -- ИССЛЕДОВАНИЯ ТЕРМОАНАЛИТИЧЕСКИЕ -- ВАНАДИЙ ПЯТИВАЛЕНТНЫЙ -- ПЯТИВАЛЕНТНЫЙ ВАНАДИЙ -- ОКСИД ВАНАДИЯ -- ОКСИД КАЛЬЦИЯ -- КАРБОНАТ КАЛЬЦИЯ

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3.
Инвентарный номер: нет.
   
   B 24

   
    Barkhausen effect in stepped motion of a plane domain boundary in gadolinium molybdate / V. Ya. Shur, E. L. Rumyantsev, V. P. Kuminov, A. L. Subbotin, V. L. Kozhevnikov // Physics of the Solid State. - 1999. - Vol. 41, № 2. - P269-273 : il. - Bibliogr. : p. 272-273 (18 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОЛИБДАТ ГАДОЛИНИЯ -- ДОМЕНЫ
Аннотация: Barkhausen pulses generated in stepped motion of a single plane domain boundary ~PDB! are investigated experimentally in single-crystalline wafers of the extrinsic ferroelastic ferroelectric gadolinium molybdate containing artificial pinning centers of the ‘‘field inhomogeneity’’ type near the edges of the sample. Two scenarios of the evolution of a PDB in interaction with ‘‘defects’’ are proposed on the basis of analyzing the shape of the pulses in a linearly increasing field: small changes of the pulse shape in a weak field and the generation of wedge domains in a strong field. The proposed mechanism of PDB motion due to the generation of steps near the edge of the sample and their longitudinal motion provides a means for explaining the experimentally observed linear field dependence of the PDB velocity and for determining the velocity of the steps

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4.
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   B 76

   
    Bond nature and structure of ferrocyanide-containing materials based on cellulose / L. R. Saksonova, V. I. Kononenko, A. S. Shubin // Russian Chemical Bulletin. - 1992. - Vol. 41, № 3. - P446-447 : il. - Bibliogr. : p. 447 (5 ref.)
УДК
54
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФЕРРОЦИАНИДОСОДЕРЖАЩИЕ МАТЕРИАЛЫ -- ЦЕЛЛЮЛОЗА
Аннотация: Ferrocyanide sorbents on cellulose supports possess all the properties required for their use in the sorption and preconcentrafion of radionuclides, in particular of 137Cs. The objective of the present work was to study the character of interaction of the sorbent components and to investigate the structure formed in the synthesis of ferrocyanide sorbents on cellulose supports. X-ray diffraction and chemical analysis and IR spectroscopy were used in the work

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5.
Инвентарный номер: нет.
   
   Y 95

    Yuryeva, E. I.
    Charge states and hyperfine interaction parameters in perovskite SrFeO3 [Текст] / E. I. Yuryeva, V. L. Kozhevnikov, A. L. Ivanovskii // Journal of Structural Chemistry. - 2006. - Vol. 47, № 3. - С. 553-557. - Библиогр. : с. 557 (17 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФЕРРИТ СТРОНЦИЯ -- ПЕРОВСКИТЫ -- ЭЛЕКТРОННАЯ СТРУКТУРНАЯ
Аннотация: The parameters of the electronic structure and hyperfine interactions in perovskite SrFeO3 were determined for different types of spin and charge states by ab initio discrete variations within the cluster model. The best agreement with experiment was achieved when the charge disproportionation effect {[Fe4+O6]8– +[Fe4+O6]8–} {[Fe3+O6]9– + [Fe5+O6]7–} was taken into account

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6.
Инвентарный номер: нет.
   
   I-98

    Ivanovskii, A. L.
    Chemical binding and electronic structure of fluorite-like zirconium oxynitrides / A. L. Ivanovskii, V. M. Zainullina, S. V. Okatov // Journal of Structural Chemistry. - 2000. - Vol. 41, № 4. - P553-559 : il. - Bibliogr. : p. 559 (27 ref.)
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Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИНИТРИДЫ ЦИРКОНИЯ -- ФЛЮОРИТОПОДОБНАЯ СТРУКТУРА
Аннотация: The electronic energy structures of fluorite-like (F) zirconium dioxynitrides F-ZrO2-xNy in Zr-O-N systems were studied by the linear muffin-tin orbital--tight binding (LMTO-TB) ab initio band structure method. The electronic structures of defects (nitrogen atoms and anion vacancies) and their effect on the band structure of F-ZrO2 are discussed; defect clustering and probable reasons for structural ordering in the F-ZrO2-xNy phases are analyzed. Interatomic interaction indices are estimated in terms of Hiickel's semi-empirical band structure method. The cubic structure of zirconium dioxynitrides is stabilized by the formation of new bonding hybrid Zrd-Np states; the role of anion vacancies reduces to providing the optimal population of these states

\\\\expert2\\NBO\\Journal of Structural Chemistry\\2000, V. 41, N 4, p.553-559.pdf
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7.
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   Z 18

    Zainullina, V. M.
    Defect Clusterization and Transport Properties of Oxide and Fluoride Ionic Conductors with Fluorite Structure: Quantum-Chemical Approach / V. M. Zainullina, V. P. Zhukov // Physics of the Solid State. - 2001. - Vol. 43, № 9. - P1686-1699 : il. - Bibliogr. : p. 1699 (67 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ТРАНСПОРТНЫЕ СВОЙСТВА -- ПРОВОДНИКИ ОКСИДНЫЕ -- ПРОВОДНИКИ ИОННЫЕ -- КЛАСТЕРИЗАЦИЯ
Аннотация: Systematic studies of the effect of point defects on the electronic structure, chemical bond, and ionic conduction of classical ionic conductors MeF2 (Me = Ca, Sr, Ba, Pb), ZrO2–CaO, ZrO2–Y2O3, and delta-Bi2O3 are carried out using the nonempirical LMTO method in the tight-binding approximation and using Huckel’s semiempirical method. The energies of formation and interaction of anti-Frenkel defects are calculated. The effect of defect clusterization in these compounds is detected. This effect is responsible for the emergence of the superionic state and anomalous physicochemical properties of the given solid electrolytes. The nature of instability of the fluorite structure is studied, and methods of its stabilization are proposed. The mechanisms and energetics of ionic transport in oxide and fluoride conductors with fluorite structure are investigated

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8.
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   N 30

    Naumovich, E. N.
    Defect formation in LaGa(Mg,Ni)O3-delta: A statistical thermodynamic analysis validated by mixed conductivity and magnetic susceptibility measurements [Текст] / E. N. Naumovich, V. V. Kharton, A. A. Yaremchenko, M. V. Patrakeev, D. G. Kellerman, D. I. Logvinovich, V. L. Kozhevnikov // Physical Review B: Condensed Matter and Materials Physics. - 2006. - Vol. 74, № 6. - С. 064105/1-064105/12. - Библиогр. : с. 064105/11 (55 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МАГНИТНАЯ ВОСПРИИМЧИВОСТЬ -- ПРОВОДИМОСТЬ -- ГАЛЛАТ ЛАНТАНА -- ПЕРОВСКИТЫ
Аннотация: A statistical thermodynamic approach to analyze defect thermodynamics in strongly nonideal solid solutions was proposed and validated by a case study focused on the oxygen intercalation processes in mixed-conducting LaGa0.65Mg0.15Ni0.20O3−delta perovskite. The oxygen nonstoichiometry of Ni-doped lanthanum gallate, measured by coulometric titration and thermogravimetric analysis at 923–1223 K in the oxygen partial pressure range 5 10−5 to 0.9 atm, indicates the coexistence of Ni2+, Ni3+, and Ni4+ oxidation states. The formation of tetravalent nickel was also confirmed by the magnetic susceptibility data at 77–600 K, and by the analysis of p-type electronic conductivity and Seebeck coefficient as function of the oxygen pressure at 1023–1223 K. The oxygen thermodynamics and the partial ionic and hole conductivities are strongly affected by the pointdefect interactions, primarily the Coulombic repulsion between oxygen vacancies and/or electron holes and the vacancy association with Mg2+ cations. These factors can be analyzed by introducing the defect interaction energy in the concentration-dependent part of defect chemical potentials expressed by the discrete Fermi-Dirac distribution, and taking into account the probabilities of local configurations calculated via binomial distributions

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9.
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   L 79

    Lipatnikov, V. N.
    Dependence of the resistivity of nonstoichiometric titanium carbide TiCy on the density and distribution of carbon vacancies / V. N. Lipatnikov, A. I. Gusev // Journal of Experimental and Theoretical Physics. - 1999. - Vol. 70, № 4. - P. 294-300 : il. - Bibliogr. : p. 300 (17 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- КАРБИД ТИТАНА
Аннотация: The influence of temperature and of the density and distribution of structural vacancies in the carbon sublattice on the resistivity of nonstoichiometric titanium carbide TiCy (0.5
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10.
Инвентарный номер: нет.
   
   B 22

    Bannikov, V. V.
    Double Exchange in Cubic Crystals with Pairs of Exchange-Coupled Mixed-Valence 3d3 –3d4 Ions / V. V. Bannikov, V. Ya. Mitrofanov // Physics of the Solid State. - 2005. - Vol. 47, № 8. - P1532-1534 : il. - Bibliogr. : p. 1534 (6 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- 3-D ИОНЫ -- KZnF3
Аннотация: Specifics of the exchange interaction in mixed-valence Cr2+–Cr3+ 3d-ion pairs in KZnF3 crystals are studied. It is shown that the double-exchange interaction can be significantly reduced by the low-symmetry crystal field created by a compensator. The features of the exchange interaction and optical absorption spectra are qualitatively analyzed

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11.
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   E 27

   
    Effect of Conditions under Which Powdered Lanthanum is Heated on Its Interaction with Air / V. G. Shevchenko, V. I. Kononenko, N. V. Lukin, I. N. Latosh, I. A. Chupova // Combustion, Explosion, and Shock Waves. - 1999. - Vol. 35, № 1. - P. 77-79 : il. - Bibliogr. : p. 79 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПОРОШКИ ЛАНТАНА -- ТЕРМОГРАВИМЕТРИЯ -- ОКСИД ЛАНТАНА -- НАГРЕВАНИЕ
Аннотация: Thermogravimetric, d i f f e r e n t i a l - t h e r m o g r a p h i c , chemical, and x-ray phase analysis methods are used to study the effect of the rate at which powdered lanthanum is heated in air on the nature of the reaction products. It is found that for heating rates of up to 150 K/rain the interaction with air ends in the formation of lanthan~m oxide. At heating rates of 150-600 K/rain, a nitride phase is formed along with LazO3. Further increases in the heating rate lead to formation of the oxide phase only. The reasons for this behavior of lanthanum are examined.

\\\\Expert2\\nbo\\Combustion, Explosion, and Shock Waves\\1999, V. 35, N 1, p.77-79.pdf
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12.
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   E 27

   
    Effect of the size factor and alloying on oxidation of aluminum powders / V. G. Shevchenko, V. I. Kononenko, I. N. Latosh, I. A. Chupova, N. V. Lukin // Fizika Goreniya i Vzryva. - 1994. - Vol. 30, № 5. - P. 68-71 : il. - Bibliogr. : p. 71 (6 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПОРОШКИ АЛЮМИНИЕВЫЕ -- ЛЕГИРОВАНИЕ -- РЕДКОЗЕМЕЛЬНЫЕ ЭЛЕМЕНТЫ -- МАТЕРИАЛЫ УЛЬТРАДИСПЕРСНЫЕ
Аннотация: The effect of particle size and alloying with rare-earth elements on oxidation of aluminum-based powders was studied by methods of derivative differential thermal analysis of the change in the specific surface and x-ray diffraction analysis. It is shown that the character of oxidation is determined by processes occurring in the barrier layer of interaction products on the particle surface

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13.
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   E 27

   
    Effects of Structural Disorder in Lithium Manganite and Titanate Oxides / Yu. G. Chukalkin, A. E. Teplykh, D. G. Kellerman, V. S. Gorshkov // Physics of the Solid State. - 2010. - vol. 52, № 5. - P1006-1009 : il. - Bibliogr. : p. 1009 (11 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МАНГАНИТ ЛИТИЯ -- ТИТАНАТЫ -- СТЕХИОМЕТРИЯ
Аннотация: The structures and magnetic states of stoichiometric lithium manganite LiMn2O4 and manganites and titanates Li1.33Mn1.67O4 and Li1.33Ti1.67O4 with excess lithium in both the initial (as-synthesized) state and after irradiation by fast (Eeff ≥ 1 MeV) neutrons with a fluence of 2 × 1020 cm–2 have been studied using neutron diffraction, X-ray diffraction, and magnetic methods. It has been established that the irradiation brings about a noticeable redistribution of manganese, titanium, and lithium cations over nonequivalent tetrahedral (8a) and octahedral (16d) positions of a spinel lattice. This structural disorder causes a radical change in the physical properties of the materials under study. The charge order existing in the initial LiMn2O4 sample is destroyed. There arises a strong intersublattice indirect exchange interaction Mn(8a)–O–Mn(16d). The disorder is accompanied by the antiferromagnet–ferrimagnet (LiMn2O4) and paramagnet–ferrimagnet (Li1.33Mn1.67O4) magnetic transitions

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14.
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   E 43

   
    Electronic structure and chemical bonding in Ba-Cu-O layer systems / M. V. Ryzhkov, D. L. Novikov, V. G. Zubkov, V. A. Gubanov // Journal of Structural Chemistry. - 1989. - Vol. 30, № 5. - P713-716 : il. - Bibliogr. : p. 716 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МЕТОД ДИСКРЕТНОГО ВАРЬИРОВАНИЯ -- ИТТРИЙ-БАРИЕВЫЙ КУПРАТ
Аннотация: The cluster method of discrete variation was used to study compounds containing chains of planecoordinatedcopper ions separating oxygen--copper planes. We also examined real YBa2CuaO 7 and hypothetical MBasCu409 systems (M is a tetravalent metal ion). A study was carried out on the transformation of the valence band and structure of the molecular orbitals in the Fermi level in going from YBa2Cu307 to MBasCu409. The chemical bonding was analyzed and the role of the "interchain" interaction in the bonding of the copper and oxygen atoms in different crystallographic positions was determined

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15.
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   E 43

   
    Electronic structure and chemical bonding in bismuth sesquioxide polymorphs / V. P. Zhukov, V. M. Zhukovskii, V. M. Zainullina, N. I. Medvedeva // Journal of Structural Chemistry. - 1999. - Vol. 40, № 6. - P831-837 : il. - Bibliogr. : p. 837 (23 ref.)
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Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ЛМТО МЕТОД -- ОКСИД ВИСМУТА
Аннотация: The electronic structure of the alfa-Bi203 . beta-Bi203 and gamma-Bi203 phases was investigated by the ab initio sell-consistent LMTO method in a tight bindbtg approximation attd by the sent iempbical Hiickel method. The total and partial densities of states and Mulliken overlap populations were obtained. The stability of bismuth oxide polymorphs is discussed based on the results of the total energy calculations for crystals. An analysis of chemical bonding shows that the Bi-O interaction plays the leading role. The Bi-Bi metallic bond is absent. Mechanisms of oxygen ion migration and possible stabilization of the structure of the supelionic conductor beta-Bi20 3 are discussed

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16.
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   E 43

   
    Electronic structure and interparticle interaction in defect cubic oxides of vanadium and titanium / A. L. Ivanovskii, V. A. Gubanov, Yu. G. Zainulin, E. Z. Kurmaev, M. P. Butsman, B. I. Zborovskii // Journal of Structural Chemistry. - 1982. - Vol. 23, № 6. - P854-860 : il. - Bibliogr. : p. 859-860 (25 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОНООКСИД ВАНАДИЯ -- МОНООКСИД ТИТАНА -- КВАНТОВО-ХИМИЧЕСКИЕ РАСЧЕТЫ

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17.
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   I-98

    Ivanovskaya, V. V.
    Electronic structure of fullerenelike molecules based on TiO2, SnO2, and SnS2 / V. V. Ivanovskaya, A. N. Enyashin, A. I. Ivanovskii // Journal of Structural Chemistry. - 2004. - Vol. 45, № 1. - С. 151-155 : il. - Bibliogr. : p. 154-155 (16 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФУЛЛЕРЕНЫ -- МОДЕЛИРОВАНИЕ -- ОКСИД ТИТАНА -- ДВУОКИСЬ ОЛОВА -- НАНОТРУБКИ
Аннотация: Quantum-chemical modeling of electronic structure and interatomic interaction parameters has been performed for a series of fullerenelike cage molecules based on the isoelectronic TiO2, SnO2, and SnS2. The above characteristics are analyzed in relation to the type of atomic configuration, as well as the size and chemical composition of a nanostructure

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18.
Инвентарный номер: нет.
   
   I-98

    Ivanovskii, A. L.
    Electronic structure of silicon carbide containing superstoichiometric carbon / A. L. Ivanovskii, N. I. Medvedeva, G. P. Shveikin // Russian Chemical Bulletin. - 1999. - Vol. 48, № 3. - P612-615 : il. - Bibliogr. : p. 615 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КАРБИД КРЕМНИЯ -- СТЕХИОМЕТРИЯ
Аннотация: Electronic structure of superstoichiometric silicon carbide, β-SiCx>L0 , was studied by the self-consistent ab initio linearized "muffin-tin" orbital method. It is most likely that the formation of β-SiCx>1,0 occurs by replacement of silicon atoms by carbon atoms rather than by insertion of carbon atoms into interstitial lattice sites. The C → Si replacement is accompanied by lattice compression (the equilibrium lattice parameter for a superstoichiometric phase of composition Si0.75CI1.25 is -2% smaller than for SIC). In the presence of superstoichiometric carbon the type of interaction between silicon and carbon atoms changes and additional bonds characteristic of diamond are formed

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19.
Инвентарный номер: нет.
   
   K 76

    Kostenko, M. G.
    Electrostatic Stabilization of an Ordered Phase in Titanium Monoxide / M. G. Kostenko, A. A. Rempel // Physics of the Solid State. - 2010. - vol. 52, № 4. - P776-780 : il. - Bibliogr. : p. 780 (12 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОНООКСИД ТИТАНА -- ЭЛЕКТРОСТАТИЧЕСКАЯ СТАБИЛИЗАЦИЯ -- НЕСТЕХИОМЕТРИЯ
Аннотация: The influence of the ordering of titanium and oxygen atoms on the Madelung energy has been studied using the computer simulation. The dependence of the Madelung constant on the crystal size for the titanium monoxide with ordered and disordered distributions of atoms and vacancies has been obtained for the first time. It has been demonstrated that the Madelung energy in the ordered titanium monoxide is considerably (by 6%) lower than that in the disordered monoxide. The electrostatic interaction between titanium and oxygen ions stabilizes the ordered phase in titanium monoxide up to high temperatures and should substantially affect the disordering processes that occur in this compound at high temperatures

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20.
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   P 84

    Popov , N. A.
    Ellipsometric and IR spectroscopic study of the surface interaction of binary Al-REM alloys with water / N. A. Popov , L. A. Akashev, V. A. Kochedykov // Russian Journal of Physical Chemistry A. - 2013. - Vol. 87, № 11. - С. 1902-1904
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ИК ЭЛЛИПСОМЕТРИИ -- СПЕКТРОСКОПИИ -- КОРОБКА ПЕРЕДАЧ
Аннотация: The effect of Al-REM binary alloys’ composition on the kinetics of their surface oxidation by water is studied by means of ellipsometry and IR spectroscopy. Intermetallides with ∼21 at % rare-earth metal in aluminum are oxidized in distilled water at 100°C, along with alloys of eutectic composition (Al-∼2 at % REM) in solid and disperse state. It is found that the kinetic dependences of the thickness of films formed on pollycrystalline alloy samples and the IR transmission spectra of dispersed samples show that increasing the quantity of dopant REM in aluminum lowers the reactive capability of aluminum under certain conditions. It is found that the experimental ellipsometric results are described by a two-layer model consisting of a substrate, an inner oxide layer and an outer layer of hydroxide.

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