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Methane oxidation over A-site ordered and disordered Sr0.8Gd0.2CoO3−δ perovskites / S. N. Vereshchagin [et al.] // Chem. Commun. - 2014. - Vol. 50, Is. 46. - P. 6112-6115, DOI 10.1039/c4cc00913d. - Cited References: 20. - The authors acknowledge the financial support from SB RAS project N 38 (2012) and RFBR grant 13-02-00358. . - ISSN 1359-7345. - ISSN 1364-548X

РУБ Chemistry, Multidisciplinary
Рубрики:
MEMBRANE REACTORS
   OXYGEN
   OXIDES
   PERFORMANCE
   COMBUSTION
   FEATURES
   PHASES
Аннотация: A tetragonal phase Sr0.8Gd0.2CoO3−δ with ordered Gd3+/Sr2+ ions and oxygen vacancy sites is found to be about five times less active in the reaction of methane combustion than a quenched cubic perovskite phase with randomly distributed (disordered) Gd3+/Sr2+ ions over the A-sites of the crystal lattice.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Vereshchagin, S. N.; Solovyov, L. A.; Соловьев, Леонид Александрович; Rabchevskii, E. V.; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Anshits, A. G.; Аншиц, Александр Георгиевич; SB RAS project [38]; RFBR [13-02-00358]
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New method for regulating the activity of ABO3 perovskite catalysts / S. N. Vereshchagin [et al.] // Kinet. Catal. - 2015. - Vol. 56, Is. 5. - P. 640-645, DOI 10.1134/S0023158415040199. - Cited References:23. - This work was supported in part by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (grant no. NSh-2886.2014.2). . - ISSN 0023. - ISSN 1608-3210. -

РУБ Chemistry, Physical
Рубрики:
MEMBRANE REACTORS
   METHANE COMBUSTION
   OXIDATION
   OXIDES
   OXYGEN
   PERFORMANCE
   FEATURES
   PHASES
   CO
Кл.слова (ненормированные):
perovskite -- cobalt -- methane -- deep oxidation -- oxidative condensation
Аннотация: A new possibility of changing the activity and selectivity of perovskite catalysts in the oxidative conversion of methane was demonstrated using the Sr x Gd1–x CoO3–δ (0.5 < x < 0.9) compounds as an example. It was established that, at the same chemical composition, the disordering of Sr2+/Gd3+ ions over the A positions of the crystal structure led to a significant increase in activity in the deep oxidation reaction of CH4, as compared with the samples with an ordered distribution of cations.

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Публикация на русском языке Новый способ регулирования активности катализаторов АВО3 со структурой перовскита [Текст] / С. Н. Верещагин [и др.] // Кинетика и катализ. - М. : Наука, 2015. - Т. 56 № 5. - С. 649-664

Держатели документа:
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Vereshchagin, S. N.; Solov'ev, L. A.; Соловьев, Леонид Александрович; Rabchevskii, E. V.; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Anshits, A. G.; Аншиц, Александр Георгиевич; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]
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    New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0-3), developed by solid solution design / H. Ji [et al.] // J. Mater. Chem. C. - 2016. - Vol. 4, Is. 12. - P. 2359-2366, DOI 10.1039/c6tc00089d. - Cited References: 33. - This work was partly supported by the National Natural Science Foundation of China (Grant No. 51511130035, 51272259, 61575182, 51572232 and 51561135015) and the Russian Foundation for Basic Research (Grant No. 15-52-53080). H. J. thanks the China Scholarship Council (CSC) for providing a scholarship to support his study in NIMS. . - ISSN 2050-7534
   Перевод заглавия: Новые люминофоры со структурой граната, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0-3), полученные как твердые растворы

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
Particle-diagnosis approach
   Luminescence
   Photoluminescence
   Ce3+
   Substitution
   Discovery
   Oxygen
Аннотация: New garnet phosphors, Lu3−xYxMgAl3SiO12:Ce3+ (x = 0–3), which can be efficiently excited by blue light and emit the yellow-orange light, were developed using the solid solution design strategy combining the chemical unit substitution and the cation substitution. Crystal structures of the four compounds were reported for the first time via the Rietveld refinement of their powder XRD patterns. All phosphors show the general cubic garnet structure with the space group Iad. The specific occupancy of Lu/Y, Al/Mg, Al/Si and O atoms in different positions was identified. The evolution of cell parameters and Y/Lu/Ce–O bond lengths were identified. Photoluminescence properties were evaluated on aspects of emission/excitation spectra, internal/external quantum efficiency and thermal emission stability. Under the 450 nm blue light excitation, the phosphors exhibit bright yellow color emission, peaking in the 575–597 nm spectral range. The internal and external quantum efficiency can reach 83% and 58%, respectively. The emission red-shift in response to the Y/Lu ratio variation was discussed in relation to the local structure evolution. The phosphors are relatively promising to act as wavelength converter of blue light in white light emitting diodes.

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Держатели документа:
National Laboratory of Mineral Materials, Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, School of Materials Science and Technology, China University of Geosciences (Beijing), Beijing, China
Sialon Group, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Japan
College of Optical and Electronic Technology, China Jiliang University, Hangzhou, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China

Доп.точки доступа:
Ji, H.; Wang, L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Hirosaki, N.; Huang, Z.; Xia, Z.; Ten Kate, O. M.; Liu, L.; Xie, R.
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Hybrid LDA and generalized tight-binding method for electronic structure calculations of strongly correlated electron systems / M. M. Korshunov [et al.] // Phys. Rev. B. - 2005. - Vol. 72, Is. 16. - Ст. 165104, DOI 10.1103/PhysRevB.72.165104. - Cited References: 82 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
   DENSITY-FUNCTIONAL CALCULATION
   NARROW ENERGY BANDS
   MEAN-FIELD THEORY
   COULOMB INTERACTIONS
   FERMION SYSTEMS
   COPPER OXIDES
   SUPERCONDUCTORS
   LA2-XSRXCUO4
   OXYGEN
Аннотация: A hybrid scheme for the electronic structure calculations of strongly correlated electron systems is proposed. The ab initio local density approximation calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within multiband Hubbard model is calculated by the generalized tight-binding method, which combines the exact diagonalization of the model Hamiltonian for a small cluster (unit cell) with perturbation treatment of the intercluster hopping and interactions. For undoped La2CuO4 and Nd2CuO4 this scheme results in charge transfer insulators with correct values of gaps and dispersions of bands in agreement with the angle-resolved photoemission data.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620219 Yekaterinburg GSP-170, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
}
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    Верещагин, Сергей Николаевич.
    Применение ТГ/ДСК-анализа c программированным составом газовой фазы для изучения фазового перехода порядок-беспорядок в нестехиометрическом Sr-Dy-кобальтате / С. Н. Верещагин, В. А. Дудников, Ю. С. Орлов // J. Sib. Fed. Univ. Chem. - 2018. - Vol. 11, Is. 4. - P. 507-517 ; Журн. СФУ. Химия, DOI 10.17516/1998-2836-0095. - Библиогр.: 17. - Исследование выполнено при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края, Красноярского краевого фонда науки в рамках научного проекта No 18-42-243004 и проекта фундаментальных исследований СО РАН V.45.3.3. . - ISSN 1998-2836. - ISSN 2313-6049
   Перевод заглавия: Application of TG/DSC analysis under variable gas phase composition to study order-disorder transition in nonstoichiometric Sr-Dy-cobaltate

РУБ Chemistry, Multidisciplinary
Рубрики:
PEROVSKITE
OXYGEN
Кл.слова (ненормированные):
перовскит -- порядок-беспорядок -- фазовый переход -- ТГ -- ДСК -- perovskite -- order-disorder -- phase transition -- TG -- DSC
Аннотация: Методом термического анализа (ТГ/ДСК) в условиях постоянного и программированного состава газовой фазы изучено влияние скорости закалки на полноту перехода кубического разупорядоченного нестехиометрического перовскита (I) Sr(0.8)Dy(0.2)CoO(3-d) в тетрагональную модификацию (II) с упорядоченным расположением катионов Sr/Dy и анионных вакансий, а также взаимосвязь степени превращения I в II с количеством мобильного кислорода и его энергетическими характеристиками. Показано, что фазовое превращение протекает как фазовый переход первого рода, процесс образования структуры II контролируется кинетическими факторами, а использование скоростей охлаждения 3-99 К/мин позволяет получить образцы, формально соответствующие 98-30 % превращению I в II; при этом как количество подвижного кислорода, так и энтальпия его удаления из образца нелинейно зависят от полноты перехода I в II.
For the first time a method of TG/DSC analysis under constant and variable gas phase composition was applied to reveal interconnection between quenching ramp rates and degree of phase transformation of cubic nonstoichiometric disordered perovskite (I) Sr(0.8)Dy(0.2)CoO(3-d) to tetragonal structure (II) with ordered Sr/Dy cations and anion vacancies. It was shown that the transformation is a first order phase transition and the ordering process is kinetically controlled. Based on the experimental transition enthalpy it was found that a formal conversion degree of I to II was 98-30% under cooling ramp rates 3-99 K/min. Non-linear relationship between the completeness of I-to-II transformation and mobile oxygen characteristics (content and the enthalpy of O-removal) was demonstrated.

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Держатели документа:
SB RAS, FRC Krasnoyarsk Sci Ctr, Inst Chem & Chem Technol, 50-24 Akademgorodok, Krasnoyarsk 660036, Russia.
SB RAS, FRC Krasnoyarsk Sci Ctr, Kirensky Inst Phys, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Дудников, Вячеслав Анатольевич; Dudnikov, V. A.; Орлов, Юрий Сергеевич; Orlov, Yu. S.; Vereshchagin S. N.

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Cation Distribution in the Composite Materials of the CaFe2O4-α-Fe2O3 Series / Y. V. Knyazev [et al.] // J. Struct. Chem. - 2019. - Vol. 60, Is. 5. - P. 763-771, DOI 10.1134/S0022476619050081. - Cited References: 25. - The study was performed with the financial support of the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Krai, the Krasnoyarsk Regional Science Foundation within the project No. 18-42-243011 "The effect of the composition and the defective structure of CaFe2O4 based "core-shell" composite materials on their electronic and catalytic properties" and the UMNIK program. . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
PD/P-TYPE CAFE2O4
OXYGEN
CONDUCTIVITY
Кл.слова (ненормированные):
solid-phase synthesis -- scanning electron microscopy -- Mössbauer spectroscopy -- cation vacancies
Аннотация: Structured composite materials CaFe2O4-α-Fe2O3 (α-Fe2O3 content is 2–82 wt.%) are obtained with the method of solid-phase synthesis at 1000 °C. The phase composition of the samples is studied using powder X-ray diffraction. It is shown that the content of CaFe2O4 and α-Fe2O3 phases changes linearly, depending on the composition of the starting material. The scanning electron microscopy data indicate the formation of a two-phase system α-Fe2O3-CaFe2O4. The Mössbauer spectroscopy data at room temperature testify the formation of cationic iron vacancies in the CaFe2O4 crystal structure in the absence of α-Fe2O3 structural defects. Cationic vacancies can be formed during the synthesis in the atmosphere of air.

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Публикация на русском языке Особенности катионного распределения в композиционных материалах ряда СaFe2O4—α-Fe2O3 [Текст] / Ю. В. Князев [и др.] // Журн. структ. химии. - 2019. - Т. 60 № 5. - С. 796-805

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Krasnoyarsk Res Ctr, Krasnoyarsk, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Fed Krasnoyarsk Res Ctr, Krasnoyarsk, Russia.

Доп.точки доступа:
Knyazev, Yu. V.; Князев, Юрий Владимирович; Shishkina, N. N.; Bayukov, O. A.; Баюков, Олег Артемьевич; Kirik, N. P.; Solovyov, L. A.; Zhizhaev, A. M.; Rabchevsky, E. V.; Anshits, A. G.; Russian Foundation for Basic Research; Government of the Krasnoyarsk Krai; Krasnoyarsk Regional Science Foundation [18-42-243011]; UMNIK program
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Effect of calcination temperature on activity of Fe2O3-Al2O3 nanocomposite catalysts in CO oxidation / A. M. Kremneva, A. V. Fedorov, O. A. Bulavchenko [et al.] // Catal. Lett. - 2020. - Vol. 150. - P. 3377-3385, DOI 10.1007/s10562-020-03250-8. - Cited References: 31. - This work was supported by the Russian Science Foundation (Grant No. 17-73-20157). The experiments were performed using facilities of the shared research center "National center of investigation of catalysts" at Boreskov Institute of Catalysis. The authors thank A.Yu. Gladky for the TPR measurements and Z.S. Vinokurov for the XRD measurements. . - ISSN 1011-372X. - ISSN 1572-879X

РУБ Chemistry, Physical
Рубрики:
MOSSBAUER
   SPECTROSCOPY
   CHEMISTRY
   IRON
   XPS
   ADSORPTION
   OXYGEN
   FE
Кл.слова (ненормированные):
Environmental catalysis -- Nanostructure -- Gasification -- Oxidation -- Mossbauer spectroscopy
Аннотация: Nanocomposite Fe–Al oxide catalysts were prepared by the melting of iron and aluminum nitrates with the subsequent calcination in air at different temperatures. It was found that the catalysts calcined at 450 °C are more active in the oxidation of CO than the catalysts calcined at 700 °C. X-ray diffraction and X-ray photoelectron spectroscopy showed that all the catalysts consist of hematite, α-Fe2O3 nanoparticles, and Al2O3 in an amorphous state. Iron oxide is the active component, which provides the oxidation of CO, while alumina is a texture promoter. The increase in the calcination temperature leads to a minor increase in the average size of hematite nanoparticles and an insignificant decrease in the specific surface area. Kinetic measurements showed that the oxidation of CO over the Fe–Al catalysts calcined at 450 and 700 °C proceeds with the activation energy of 61–69 and 91 kJ/mol, respectively. This means that the low-temperature and high-temperature catalysts contain different active species. Temperature-programmed reduction with CO indicated that the decrease in the calcination temperature improves the reducibility of the Fe-Al nanocomposites. According to 57Fe Mössbauer spectroscopy, the low-temperature catalysts contain hydrated iron oxides (acagenite and ferrihydrite) and a significant amount of highly defective hematite, which is absent in the high-temperature catalyst. These species can provide the enhanced activity of the low-temperature catalysts in the oxidation of CO.

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Держатели документа:
Boreskov Inst Catalysis, Novosibirsk 630090, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Kremneva, A. M.; Fedorov, A. V.; Bulavchenko, O. A.; Knyazev, Yu. V.; Князев, Юрий Владимирович; Saraev, A. A.; Yakovlev, V. A.; Kaichev, V. V.; Russian Science FoundationRussian Science Foundation (RSF) [17-73-20157]; National center of investigation of catalysts" at Boreskov Institute of Catalysis
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