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Труды сотрудников Института химии твердого тела УрО РАН
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1.
Инвентарный номер: нет.
   
   M 88

   
    Mössbauer Spectroscopy Study of the EuO:Fe Spintronic Material / A. S. Borukhovich, N. I. Ignat’eva, K. I. Yanushkevich, A. I. Stognij, Yu. A. Fedotova // JETP Letters. - 2009. - Vol. 89, № 4. - P191-193 : il. - Bibliogr. : p. 193 (8 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МЕССБАУЭРОВСКАЯ СПЕКТРОСКОПИЯ -- ОКСИД ЕВРОПИЯ
Аннотация: The states of iron and europium in the EuO:Fe composite spintronic material have been studied by means of room-temperature Mössbauer spectroscopy. In both cases, two sets of lines indicating the ferromagnetism and superparamagnetism of metallic iron nanoparticles in the composite and the appearance of a fraction of europium ions in the Eu3+ oxidation state in the matrix in addition to the main Eu2+ state have been observed in the respective spectra. In the europium case, the observation implies the possibility of a partial spin polarization of paramagnetic europium ions in Eu–Fe–O clusters and an increased specific magnetization of the composite

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2.
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   Z 90

    Zuev, M. G.
    Oxidation State of Vanadium in Eu1 – xYxVTa2O9 Solid Solutions / M. G. Zuev, D. G. Kellerman, V. A. Perelyaev // Inorganic Materials. - 2001. - Vol. 37, № 2. - P186-188 : il. - Bibliogr. : p. 188 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКИСЛЕНИЕ -- ВАНАДАТЫ -- МАГНИТНАЯ ВОСПРИИМЧИВОСТЬ -- РАСТВОРЫ ТВЕРДЫЕ
Аннотация: The magnetic susceptibility of Eu1- xYxVTa2O9(0 < x< 0.20) solid solutions was found to vary nonmonotonically with Y content. This result was interpreted as due to changes in the proportion of V4+ ions. Increasing the synthesis temperature from 1100 to 1300°C was shown to raise the proportion of V4+ in EuVTa2O9 from 9.87 to 12.03%. The highest light yield was observed at x~0.05, corresponding to the smallest V4+/V5+ ratio

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3.
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   S 98

   
    Synthesis and Properties of Pbl - xVxO2-x(OH)x Solid Solutions / V. L. Volkov, G. S. Zakharova, M. V. Kuznetsov, V. G. Zubkov, I. F. Berger, A. P. Tyutyunnik // Inorganic Materials. - 2000. - Vol. 36, № 1. - P. 57-62 : il. - Bibliogr. : p. 53 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
РАСТВОРЫ ТВЕРДЫЕ -- ОКСОВАНАДАТ СВИНЦА -- СТЕХИОМЕТРИЯ -- ПРОВОДИМОСТЬ
Аннотация: Pbl- xWxO2 x(OH)x (0 < X --< 0.30) solid solutions with the rutile structure were prepared by reacting humid [3-PbO 2 + V205 mixtures at temperatures from 200 to 250~ At higher vanadium contents, lead hexavanadate, PbV6Ol6 , was formed, as inferred from IR spectroscopy data. The structural and electrical properties of the solid solutions were studied, and the valence state of the constituent ions was determined. All of the vanadium has a valence of 4+ for x < 0.06 and 5+ for x > 0.15. The lead ions are in the oxidation states 4+ and 2+ over the entire range of solid solution

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4.
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   R 74

   
    Role of catastrophic oxidation in the embrittlement of steel E1395 and E1981a blooms / S. A. Zinchenko, Yu. P. Vorob'ev, G. N. Ivanova, Yu. V. Kuznetsov, A. N. Efimovich // Metal Science and Heat Treatment. - 1994. - Vol. 36, № 11-12. - P582-588 : il. - Bibliogr. : p. 588 (10 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
АУСТЕНИТНАЯ СТАЛЬ -- ОКИСЛЕНИЕ -- ГОРЯЧАЯ ПРОКАТКА
Аннотация: The causes of internal failures during the hot rolling of ingots formed from austenitic high-temperature steels are investigated

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5.
Инвентарный номер: нет.
   
   V 26

   
    Vanadium–Titanium Oxides: Sol–Gel Synthesis and Catalytic Properties in Chlorobenzene Oxidation / V. L. Volkov, E. I. Andreikov, G. S. Zakharova, V. Yu. Gavrilov, V. V. Kaichev, V. I. Bukhtiyarov // Kinetics and Catalysis. - 2008. - Vol. 49, № 3. - С. 446-450 : il. - Bibliogr. : p. 450 (15 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ВАНАДИЕВО-ТИТАНОВЫЕ ОКСИДЫ -- МЕТОД ЗОЛЬ-ГЕЛЬ
Аннотация: Vanadium–titanium mixed oxides with V/Ti = 0.025, 0.050, and 0.100 have been synthesized by sol–gel processing. The anatase–rutile transition temperature decreases from 750 to 600°C as the vanadium content of the TiO2 phase is increased. The most important texture parameters and the photoelectron and IR spectra of the oxides are reported. The oxides exhibit high catalytic activity in chlorobenzene oxidation, which is due to their specific electronic and crystal structures

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6.
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   E 43

   
    Electronic structure and chemical bonding in Sr4Nb17O26 / V. M. Zainullina, V. P. Zhukov, V. G. Zubkov, A. P. Tyutyunnik // Journal of Structural Chemistry. - 1998. - Vol. 39, № 5. - P627-635 : il. - Bibliogr. : p. 634-635 (15 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСОНИОБАТ СТРОНЦИЯ -- МЕТОД ЛМТО
Аннотация: The electronic structure of oxoniobate Sr4Nb17026 is studied by the linear muffin-tin orbital (LMTO) method. It is shown that the high-energy conduction band consists of the Nb4d states and the hybridized valence band is formed by the Nb4d and 02p states. The band structure of this compound is characterized by superposition of the bands of the 2p states of perovskite oxygen atoms and the 4d states of monoxide niobium atoms. The degree of oxidation of the perovskite and monoxide niobium atoms is + 5 and + 2.56, respectively. Chemical bonding is analyzed using the electron localization function and model Hiickel calculations. The niobium-oxygen bond is shown to be the strongest. The Fermi level is localized in the vicinity of the bottom of the niobium antibonding state band, which explains the existence of Sr4-xNb17026 in the homogeneity region corresponding to 0 < x < 0.3

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7.
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   S 12

    Sadovnikov, S. I.
    Thermal Stability of Lead Sulfide Nanocrystalline Films / S. I. Sadovnikov, N. S. Kozhevnikova // Glass Physics and Chemistry. - 2000. - Vol. 35, № 1. - P. 60-66 : il. - Bibliogr. : p. 66 (17 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПЛЕНКИ НАНОКРИСТАЛЛИЧЕСКИЕ -- СУЛЬФИД СВИНЦА -- ОСАЖДЕНИЕ
Аннотация: Thermally stable nanocrystalline films of lead sulfide PbS were prepared using the chemical deposition method. The thickness of the films measured by interferometry was approximately equal to 100 nm, and the average particle size determined from the broadening of the X-ray diffraction reflections was approximately 80 nm. X-ray diffraction analysis revealed that annealing of the film at a temperature of 350 °C in air results in the formation of a protective oxide sulfate phase of the composition PbO · PbSO4 on the surface of the film. It was established that the oxide sulfate phase prevents a further oxidation of the film and serves as an inhibitor of the growth of PbS nanoparticles upon heating up to a temperature of 500° C. The factors responsible for the high thermal stability of the sizes of nanoparticles and the optical properties of the PbS nanocrystalline film were discussed

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8.
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   S 98

   
    Synthesis and Study of Photocatalytic Activity of Nanoscale Quasi-One-Dimensional Ti1 – xVxO2 (0 ≤ x ≤ 0.13) and Zn1 – xCoxO (0 ≤ x ≤ 0.3) Oxides / O. I. Gyrdasova, V. N. Krasil'nikov, G. V. Bazuev, L. Yu. Buldakova, M. Yu. Yanchenko // Bulletin of the Russian Academy of Sciences: Physics. - 2009. - Vol. 73, № 8. - P. 1113-1116 : il. - Bibliogr. : p. 1116 (10 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФОТОКАТАЛИТИЧЕСКАЯ АКТИВНОСТЬ -- ОКСИВАНАДАТ ТИТАНА -- ОКСИКОБАЛЬТИТ ЦИНКА
Аннотация: A original method of synthesis of quasi one dimensional Ti1 – xVx(OCH2CH2O)2 (0 ≤ x ≤ 0.13) and Zn1 – xCox(HCOO)(HOCH2CH2O) (0 ≤ x ≤ 0.3) has been developed. The synthesis products were used as a basis for nanoscale extended Ti1 – xVxO2 and Zn1 – xCoxO oxides. The compounds obtained and products of their thermolysis were investigated by X ray diffraction, microscopy, IR spectroscopy, thermogravimetry, and chemical analysis; the shape and size of particles were determined by scanning electron microscopy. The good prospects of Ti1 – xVxO2 and Zn1 – xCoxO solid solutions as photocatalysts for hydroquinone oxidation are shown

\\\\Expert2\\nbo\\Bulletin of the Russian Academy of Sciences Physics\\2009, V. 73, N 8, P. 1113-1116.pdf
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9.
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   O-97

   
    Oxidation of Powdered Alloysof Aluminum and Cerium during Heating in Air / V. G. Shevchenko, V. I. Kononenko, I. A. Chupova, I. N. Latosh, N. V. Lukin // Combustion, Explosion, and Shock Waves. - 2001. - Vol. 37, № 4. - P413-417 : il. - Bibliogr. : p. 416-417 (15 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКИСЛЕНИЕ -- СПЛАВЫ -- АЛЮМИНИЙ -- ЦЕРИЙ
Аннотация: The e?ect of cerium on the oxidation of powdered alloys of aluminum and cerium??during heating in air at temperatures up to 1773 K was studied using derivatography,??x-ray phase analysis, and thermal desorption of argon. It is established that the rate??and completeness of the oxidation of aluminum increase if it is alloyed with cerium.??The e?ect of cerium is due to its polyvalence, high reactivity, and surface activity??toward aluminum. Structural and phase nonuniformities that arise during the growth??of oxide phases on the surface of oxidized particles of the alloys enhance the interaction??of these particles with air oxygen. It is shown that the assumptions that the surfaces??of the alloys have a micrononuniform structure and are enriched with CeAl2 and CeAl4??groups are valid

\\\\Expert2\\nbo\\Combustion, Explosion, and Shock Waves\\2001, V. 37, N 4, p.413-417.pdf
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10.
Инвентарный номер: нет.
   
   Р 68

   
    Роль интерметаллидов в процессе окисления порошков систем Al-РЗМ = Role of intermetallic compounds during oxidation of the powder Al-REM systems / В. Г. Шевченко, И. Н. Латош, И. Г. Григоров, И. А. Чупова, В. А. Кочедыков // Расплавы. - 2009. - № 2. - С. 60-68 : граф., фото. - Библиогр.: с. 67-68 (11 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ИНТЕРМЕТАЛЛИДЫ -- ОКИСЛЕНИЕ -- СПЛАВЫ АЛЮМИНИЕВЫЕ -- РЗМ
Аннотация: Представлены результаты исследования окисления богатых алюминием интерме-таллидов Ce3Al11 SmAl3, YbAl3, YAl3, а также состава, содержащего около 45 ат. % La. Характер окисления определяется гетерофазностью, структурными перестройками и соотношением фаз в барьерном слое продуктов на поверхности частиц, которые влияют на его защитные свойства и механизм окисления

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11.
Инвентарный номер: нет.
   
   M 45

   
    Mechanism of Oxidation of Powdered Metals During Heating in Air / V. G. Shevchenko, V. I. Kononenko, M. A. Bulatov, I. N. Latosh, I. A. Chupova // Combustion, Explosion, and Shock Waves. - 1998. - Vol. 34, № 1. - P. 40-43 : il. - Bibliogr. : p. 43 (19 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКИСЛЕНИЕ -- МЕТАЛЛЫ ПОРОШКОВЫЕ -- НАГРЕВАНИЕ -- ПОРОШКИ АЛЮМИНИЕВЫЕ
Аннотация: It is shown that the oxidation of alumln1~m- powders and rare-earth elements as the temperature rises is accompanied by cracking of a layer of interaction products at the particle surface. The intensity of cracking is reflected in the change of the specific powder surface during heating, and it depends on the phase formation in the barrier layer and its physicochemical properties. The real oxidation rate of disperse metals is higher than the diffusion rate in oxides, which indicates the determining role of cracking in the interaction mechanism

\\\\Expert2\\nbo\\Combustion, Explosion, and Shock Waves\\1998, V. 34, N 1, p. 40-43.pdf
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12.
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   E 27

   
    Effect of sodium and potassium polyvanadates on aluminum-powder oxidation / V. G. Shevchenko, V. L. Volkov, V. I. Kononenko, G. S. Zakharova, I. A. Chupova // Fizika Goreniya i Vzryva. - 1996. - Vol. 32, № 4. - P. 91-94 : il. - Bibliogr. : p. 94 (5 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПОЛИВАНАДАТ НАТРИЯ -- ПОЛИВАНАДАТ КАЛИЯ -- ПОРОШКИ АЛЮМИНИЕВЫЕ -- ОКИСЛЕНИЕ
Аннотация: The effect of polyvanadates and vanadium oxide bronzes of alkali metals on aluminum-powder ozidation has been studied by thermogravimetry and x-ray phase analysis. The macromechanism of promotion of aluminum oxidation in which the catalytically active component is melted Na2AlxV12031 has been established. It is shown that the intermediate product of vanadiumcontaining slag9 processing can be used as an activator

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13.
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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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14.
Инвентарный номер: нет.
   
   E 43

   
    Electronic Structure and the Optical and Photocatalytic Properties of Anatase Doped with Vanadium and Carbon / V. M. Zainullina, V. P. Zhukov, V. N. Krasil'nikov, M. Yu. Yanchenko, L. Yu. Buldakova, E. V. Polyakov // Physics of the Solid State. - 2010. - vol. 52, № 2. - P271-280 : il. - Bibliogr. : p. 279-280 (45 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
АНАТАЗ -- ВАНАДИЙ -- КАРБОН -- ФОТОКАТАЛИТИЧЕСКИЕ СВОЙСТВА -- ЭЛЕКТРОННАЯ СТРУКТУРА
Аннотация: The electronic structures of undoped anatase and anatase doped with carbon and vanadium have been calculated using the ab initio tight binding linear muffin tin orbital (TB-LMTO) method in the LSDA + U approximation. It has been shown that the doping of TiO2 leads to the formation of narrow bands of the C and V impurity states in the band gap. The calculations of the imaginary part of the dielectric function have made it possible to estimate the intensity of the optical absorption. It has been established that the doping with vanadium and carbon leads to optical absorption in the visible range and to an increase in the absorption in the ultraviolet range up to 4 eV. This should result in an increase in the photocatalytic activity on the surface of the doped anatase. The experimental determination of the photocatalytic activity of whiskers of the anatase doped with carbon and vanadium in the reaction of hydroquinone oxidation has confirmed the increase in the activity of the doped materials under exposure to ultraviolet, visible, and blue light. The phenomenon of dark catalysis in the anatase doped with carbon and vanadium has been interpreted within the concept of low-energy electronic excitations between the impurity levels of carbon

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15.
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   K 93

    Kurlov, A. S.
    Particle Size Effects on the Oxidation of Tungsten Carbide Nanopowders / A. S. Kurlov, A. I. Gusev // Russian Journal of Physical Chemistry A. - 2010. - Vol. 84, № 12. - P2095-2101 : il. - Bibliogr. : p. 2101 (17 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКИСЛЕНИЕ -- КАРБИД ВОЛЬФРАМА
Аннотация: The oxidation of tungsten carbide (WC) powders with the average particle size 〈D〉 from 20 to 6000 nm was studied by differential thermal and differential thermogravimetric analyses. WC powders are oxidized, irrespective of their dispersity, to higher oxide WO3. The conclusion was drawn that at smaller particle sizes of WC powder, the oxidation rate increases, and the temperature of the peak of the exo effect decreases. The functional dependences of the temperature of the peak and the activation energy of oxidation on the particle size were determined

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16.
Инвентарный номер: нет.
   
   S 98

   
    Synthesis and Photocatalytic Activity of Ti[1 – x]VxO[2 – y]Cy Whiskers in Hydroquinone Oxidation in Aqueous Solutions / V. N. Krasil'nikov, A. P. Shtin, O. I. Gyrdasova, E. V. Polyakov, L. Yu. Buldakova, M. Yu. Yanchenko, V. M. Zainullina, V. P. Zhukov // Russian Journal of Inorganic Chemistry. - 2010. - Vol. 55, № 8. - P1184-1191 : il. - Bibliogr. : p. 1190-1191 (28 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФОТОКАТАЛИТИЧЕСКАЯ АКТИВНОСТЬ -- ГИДРОХИНОН -- ВАНАДИЙ
Аннотация: Ti1–xVxO2–yCy (0 ≤ x ≤ 0.10 and x = 0.50) whiskers having the anatase structure were synthesized via thermolysis of vanadium doped titanium glycolate of composition Ti1–xVx(OCH2CH2O)2 (0 ≤ x ≤ 0.10 and x = 0.50). The starting reagents used to prepare Ti1–xVx(OCH2CH2O)2 were mixtures of coprecipitated titanium and vanadyl hydroxides, which were heated in ethylene glycol at T ≤ 200°C: (1 – x)TiO(OH)2 + xVO(OH)2 + 2HOCH2CH2OH = Ti1–xVx(OCH2CH2O)2 + 3H2O↑. Thermolysis of vanadium doped titanium glycolate in various gas media over a wide range of temperatures is useful to prepare titania samples doped with both vanadium and carbon to form a phase of the general composition Ti1 – xVxO2 – yCy whiskers prepared by thermolyzing Ti1 – xVx(OCH2CH2O)2 in air at 450°C were found to have a high photocatalytic activity in hydroquinone oxidation in aqueous solutions irradiated in the UV spectral range; the photocatalyst’s activity increases with increasing vanadium concentration. When hydroquinone was irradiated in the blue, the maximal catalytic activity was discovered in a sample of composition Ti0.50V0.50O2–yCy. Quantum chemical calculations support experimental data that the double doping of titania (Ti1–xVxO2–yCy) enhances its photocatalytic activity compared to undoped anatase or anatase doped in one sublattice: Ti1–xVxO2 and TiO2–yCy alytic activity compared to undoped anatase or anatase doped in one sublattice: Ti1–xVxO2 and TiO2–yCy.

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17.
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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18.
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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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19.
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   A 53

   
    Analysis of the Gas Phase Oxidation Methanol at Presence of the Catalyst on Base of FeMoO4 / S. Y. Men'shikov, A. A. Markov, M. S. Valova, V. A. Vazhenin, A. A. Subbotina, J. V. Trubnikova // Уральский научный форум "Современные проблемы органической химии". XVII Молодежна школа-конф. по органической химии, Екатернинбург, 8-12 июня 2014 г. : сб. тез. - Екатеринбург, 2014. - С. 174
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
METHANOL -- FeMoO4 -- MOLYBDENUM-OXIDE

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20.
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   X 10

   
    X-ray spectra and electronic structure of LixNbO2 superconductor and other niobium oxide compounds / V. M. Cherkashenko, M. A. Korotin, V. I. Anisimov, V. V. Shumilov, D. G. Kellerman, V. G. Zubkov, E. Z. Kurmaev // Zeitschrift für Physik B Condensed Matter. - 1993. - Vol. 93. - P417-424. - Bibliogr. : p. 424 (17 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИД НИОБИЯ -- ЛИТИЕВАЯ ПРОВОДИМОСТЬ
Аннотация: X-ray emission NbL&.15 and OK~ spectra and Ols total photoelectron yield spectra for superconductor Li0.71NbO2 and other niobium oxide compounds NbO, BaNb406, BazNbsO9, BaNbsQ, LiNbQ, NbQ, LiNbO3 were investigated. It was found that in stoichiometric LiNbO2, niobium oxidation degree is 3 +. Under the lithium deintercalation down to Li0.71NbO2 composition, the niobium ions oxidation degree increases up to 3.3 +. As more electrons are supplied by Nb to fill the O2p band, the degree of O2p-Nb4d hybridization is increased. Using the full-potential linear muffin-tin orbital method, the self-consistent band structure calculations of Li~NbO 2 (x= 1.0; 0.7; 0.5) compounds were carried out. Agreement between partial Nb4d and O2p densities of states and corresponding X-ray spectra was observed. For the x = 0.7; 0.5 the Fermi level is placed on the slope of sharp density of states peak formed mostly by the Nb4d states. With the decrease of x the p-d hybridization becomes stronger, although remains well below the values typical for the high-temperature superconductors

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