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Zamkova, N. G.
Lattice dynamics of ionic crystals in a model of "breathing" and polarizable ions / N. G. Zamkova, V. I. Zinenko // Phys. Solid State. - 1998. - Vol. 40, Is. 2. - P. 320-324, DOI 10.1134/1.1130302. - Cited References: 14 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
OXIDE
Аннотация: An expression is written down for the dynamic matrix of ionic crystals in terms of a microscopic, parameterless model of "breathing" and polarizable ions. Results from a calculation of the complete spectrum of the lattice vibrations of ionic crystals having an NaCl structure are presented as an illustration. (C) 1998 American Institute of Physics.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Замкова, Наталья Геннадьевна
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    Thermite synthesis and characterization of Co-ZrO2 ferromagnetic nanocomposite thin films / V. G. Myagkov [et al.] // J. Alloys Compd. - 2016. - Vol. 665. - P. 197-203, DOI 10.1016/j.jallcom.2015.12.257. - Cited References: 56. - This study was partially supported by the Russian Foundation for Basic Research (grants ##15-02-00948, 14-03-00515), by the Council for Grants of the President of the Russian Federation (SP-317.2015.1), and by the program of the Foundation for Assistance to Small Innovative Enterprises in Science and Technology (“UMNIK” program). The TEM studies were carried out using the facilities of Electron Microscopy Laboratory of Siberian Federal University and the Performance Service at Krasnoyarsk Scientific Center. . - ISSN 0925-8388
   Перевод заглавия: Термитный синтез и исследование ферромагнитных нанокомпозитных тонких пленок Co-ZrO2

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
SOLID-STATE SYNTHESIS
   PHASE-FORMATION
   ZrO2
   NANOPARTICLES
   TRANSPORT
   OXIDE
   MICROSTRUCTURE
   NANOTHERMITE
   FABRICATION
   PARTICLES
Кл.слова (ненормированные):
Thermite reactions -- Reactive films -- Ferromagnetic nanocomposite films -- ZrO2
Аннотация: Co-ZrO2 ferromagnetic nanocomposite thin films were successfully synthesized using a new thermite reaction between Zr and Co3O4 in layer geometry. The initial Zr/Co3O4 bilayers were obtained by the deposition of Zr layers onto Co3O4 films at room temperature. The process of mixing at the Zr/Co3O4 interface and synthesis of fine-crystalline Co and amorphous ZrO2 phases started at a temperature above the initiation temperature Tin ∼250 °C which did not depend on the bilayer thickness. For the bilayer thickness more than 300 nm high-temperature fcc-Co and cubic c-ZrO2 (or tetragonal t-ZrO2) phases were formed. For the bilayer thickness less than ∼50 nm stable low-temperature hexagonal hcp-Co and monoclinic m-ZrO2 phases were also present in the reaction product. A partial transformation from Co3O4 to CoO occurred after annealing at 300 °C. The secondary reaction between CoO and Zr started soon after Co3O4 had been converted to the CoO phase. After annealing at 500 °C more than 80% of Co was reduced and the final product contained Co nanoparticles above and below the superparamagnetic critical size embedded into a dielectric ZrO2 matrix. The synthesized Co-ZrO2 nanocomposite films possessed soft magnetic behavior, high magnetization and good chemical stability.

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Держатели документа:
Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Zhigalov, V. S.; Жигалов, Виктор Степанович; Bykova, L. E.; Быкова, Людмила Евгеньевна; Zharkov, S. M.; Жарков, Сергей Михайлович; Matsynin, A. A.; Мацынин, Алексей Александрович; Volochaev, M. N.; Волочаев, Михаил Николаевич; Tambasov, I. A.; Тамбасов, Игорь Анатольевич; Bondarenko, G. N.; Бондаренко, Галина Николаевна
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Thermal oxidation of a carbon condensate formed in high-frequency carbon and carbon-nickel plasma flow / G. N. Churilov [et al.] // Tech. Phys. - 2018. - Vol. 63, Is. 2. - P. 216-219, DOI 10.1134/S1063784218020093. - Cited References:12. - Transmission electron microscopy investigations were carried out on equipment of the Omsk Regional Center of Collective Use of the Siberian Branch of the Russian Academy of Sciences. This study was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, and the Krasnoyarsk Territorial Foundation for the Support of Scientific and R&D Activities, project no. 16-43-242148. . - ISSN 1063-7842. - ISSN 1090-6525

РУБ Physics, Applied
Рубрики:
FULLERENES
OXIDE
METAL
Аннотация: We have reported on the comparative characteristics of thermal oxidation of a carbon condensate prepared by high-frequency arc evaporation of graphite rods and a rod with a hollow center filled with nickel powder. In the latter case, along with different forms of nanodisperse carbon, nickel particles with nickel core-carbon shell structures are formed. It has been found that the processes of the thermal oxidation of carbon condensates with and without nickel differ significantly. Nickel particles with the carbon shell exhibit catalytic properties with respect to the oxidation of nanosized carbon structures. A noticeable difference between the temperatures of the end of the oxidation process for various carbon nanoparticles and nickel particles with the carbon shell has been established. The study is aimed at investigations of the effect of nickel nanoparticles on the dynamics of carbon condensate oxidation upon heating in the argon-oxygen flow.

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Публикация на русском языке Термоокисление углеродного конденсата, полученного в потоке ВЧ углеродной и углеродно-никелевой плазмы [Текст] / Г. Н. Чурилов [и др.] // Журн. техн. физ. - 2018. - Т. 88 Вып. 2. - С. 224–227

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Inst Problems Hydrocarbon Proc, Siberian Branch, Omsk 644040, Russia.
Russian Acad Sci, Inst Solid State Chem & Mechanochem, Siberian Branch, Novosibirsk 630128, Russia.

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Nikolaev, N. S.; Николаев, Никита Сергеевич; Cherepakhin, A. V.; Dudnik, A. I.; Дудник, Александр Иванович; Tomashevich, E. V.; Trenikhin, M. V.; Bulina, N. G.; Russian Foundation for Basic Research; Government of Krasnoyarsk Territory; Krasnoyarsk Territorial Foundation for the Support of Scientific and RD Activities [16-43-242148]
}
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    The influence of oxygen concentration on the formation of CuO and Cu2O crystalline phases during the synthesis in the plasma of low pressure arc discharge / A. V. Uschakov [et al.] // Vacuum. - 2016. - Vol. 128. - P. 123-127, DOI 10.1016/j.vacuum.2016.03.025. - Cited References: 19. - This study was supported by the Russian Foundation for Basic Research. (Project No 15-08-02132). . - ISSN 0042-207X
   Перевод заглавия: Влияние концентрации кислорода на формирование кристаллических фаз CuO и Cu2O в процессе синтеза в плазме дугового разряда низкого давления

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
Nanoparticles
Oxide
Кл.слова (ненормированные):
Oxides -- Vapor deposition -- X-ray diffraction -- Transmission electron microscopy (TEM) -- Catalytic properties
Аннотация: This paper describes the synthesis of copper oxide nanoparticles with different percentages of CuO and Cu2O phases. It was achieved by the control of the percentage of oxygen in the gas mixture (N2 + O2) in a plasma-chemical process of evaporation-condensation by means of low-pressure arc discharge. In all the experiments, the pressure in the plasma-chemical reactor remained constant at 60 Pa. By means of X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDS), Fourier transform infrared spectroscopy (FTIR) it was found that the average particle size was 6 nm, and Cu2O phase content decreases with increasing oxygen content in the gas mixture. High photocatalytic properties of Cu2O powder were shown by the example of the reaction of the methyl orange dye decomposition in water solution. The problems, associated with the performance of this method and the formation of crystalline phases, are discussed.

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Держатели документа:
Siberian Federal University, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, Russian Federation
Krasnoyarsk Scientific Center of the Siberian Branch of the Russian Academy of Science, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Russian Academy of Sciences, Russian Federation

Доп.точки доступа:
Uschakov, A. V.; Karpov, I. V.; Lepeshev, A. A.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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Study of the high-coercivity material based on ε-Fe2O3 nanoparticles in the silica gel matrix / D. A. Balaev [et al.] // Tech. Phys. Lett. - 2016. - Vol. 42, Is. 4. - P. 347-350, DOI 10.1134/S1063785016040039. - Cited References: 17. - This study was supported by the Federal Agency for Scientific Organizations of Russia (base budget financing no. V.44.1.15), the Scientific and Educational Center of Energy-Efficient Catalysis at the Novosibirsk State University, and the Russian Foundation for Basic Research (project no. 15-32-50919). . - ISSN 1063-7850

РУБ Physics, Applied
Рубрики:
Phase
   Field
   State
   Oxide
   Iron
Аннотация: We report the results of investigations of ε-Fe2O3 magnetic nanoparticles obtained by incipient wetness impregnation of silica gel. It was established that the obtained samples with an iron content of 12‒16% mass % containing ε-Fe2O3 nanoparticles with an average size of 10 nm on the silica gel surface exhibit a room-temperature coercivity of about 10 kOe. Along with fabrication simplicity, this fact makes the prepared samples promising for application as a magnetically hard material. © 2016, Pleiades Publishing, Ltd

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Публикация на русском языке Исследование высококоэрцитивного материала на основе наночастиц ε-Fe2O3 в матрице силикагеля [Текст] / Д. А. Балаев [и др.] // Письма в Журн. технич. физ. : Санкт-Петербургская издательско-книготорговая фирма "Наука", 2016. - Т. 42 Вып. 7. - С. 23-30

Держатели документа:
Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Boreskov Institute of Catalysis, Russian Academy of Sciences, Siberian Branch, Novosibirsk, Russian Federation
Novosibirsk State University, Novosibirsk, Russian Federation
International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw, Poland

Доп.точки доступа:
Balaev, D. A.; Балаев, Дмитрий Александрович; Yakushkin, S. S.; Dubrovskii, A. A.; Дубровский, Андрей Александрович; Bukhtiyarova, G. A.; Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Martyanov, O. N.
}
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Spectroscopic and computational study of structural changes in γ-LiV2O5 cathodic material induced by lithium intercalation / M. B. Smirnov [et al.] // J. Phys. Chem. C. - 2015. - Vol. 119, Is. 36. - P. 20801-20809, DOI 10.1021/acs.jpcc.5b05540. - Cited References: 36. - This work was supported by the international collaboration program between the Centre National de la Recherche Scientifique (CNRS) of France and the Russian Foundation for Basic Research (RFBR), LIBASTRAM CNRS Project 6094, and RFBR Grant 13-03-91052. . - ISSN 1932-7447

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
AUGMENTED-WAVE METHOD
   LIXV2O5 SYSTEM
   AB-INITIO
   VANADIUM PENTOXIDE
   RAMAN-SPECTROSCOPY
   LI INTERCALATION
   OXIDE
   V2O5
   TRANSITION
   TRANSITION
Аннотация: Structure, electronic states, and vibrational dynamics of γ-LiV2O5 were studied by combined use of quantum-chemical calculations and Raman spectroscopy. The spin-polarized DFT+U calculations correctly mimic the structural changes induced by the Li intercalation into the V2O5 framework. The analysis of the density of electronic states shows that the electrons of Li atoms are transferred to the Vb atoms and are aligned in ferromagnetic order. The charge distribution in the system reflects the change of valence state of the Vb atoms from 5+ to 4+, and it is in line with changes of Vb–O bond lengths. The calculated Raman spectrum of the γ-LiV2O5 structure is in line with the experimental Raman spectra that allows a reliable assignment of all prominent Raman peaks. Comparison of the spectra of γ-LiV2O5 and γ'-V2O5 indicates spectral signatures of structural changes induced by the Li insertion into the γ'-V2O5 lattice. Results of the study present the opportunity of using Raman spectroscopy for characterization of structural modifications of the vanadate framework upon intercalation of guest species.

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Держатели документа:
Faculty of Physics, St. Petersburg State University, Petrodvorets, St. Petersburg, Russian Federation
Ioffe Physical Technical Institute, Polytekhnicheskaya 26, St. Petersburg, Russian Federation
Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, Russian Federation
Laboratoire de Spectrochimie Infrarouge et Raman, UMR 8516 CNRS-, Universite de Lille, Sciences et Technologies, Villeneuve dAscq, France
Institut de Chimie et des Materiaux Paris Est, ICMPE/GESMAT, UMR 7182 CNRS-, Universite Paris Est-Creteil, 2 rue Henri Dunant, Thiais, France
Kirensky Institute of Physics, Akademgorodok, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Smirnov, M. B.; Roginskii, E. M.; Kazimirov, V. Y.; Smirnov, K. S.; Baddour-Hadjean, R.; Pereira-Ramos, J. P.; Zhandun, V. S.; Жандун, Вячеслав Сергеевич
}
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Solid state synthesis and characterization of ferromagnetic nanocomposite Fe-In2O3 thin films / V. G. Myagkov [et al.] // J. Alloys Compd. - 2014. - Vol. 612. - P. 189-194, DOI 10.1016/j.jallcom.2014.05.176. - Cited References: 56 . - ISSN 0925-8388. - ISSN 1873-4669

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
HIGH-TEMPERATURE FERROMAGNETISM
   PHASE-FORMATION
   In2O
   OXIDE
   NANOPARTICLES
   CO
   SEMICONDUCTORS
   NANOCRYSTALS
   COMBUSTION
   SYSTEMS
Кл.слова (ненормированные):
Thermite reactions -- Reactive films -- Ferromagnetic nanocomposite films -- Transparent conducting oxides
Аннотация: We have successfully synthesized ferromagnetic Fe-In2O 3 nanocomposite thin films for the first time using the thermite reaction Fe2O3 + In = In2O3 + Fe. The initial In/Fe2O3 bilayers were obtained by the deposition of In layers on α-Fe2O3 films. The reaction occurs in a self-propagating mode in a homogeneous thermal film plane field at heating rates above 20 K/s and at temperatures above initiation temperature T[[d]]in[[/d]] ~ 180 °C. At heating rates lower than 20 K/s the mixing of the In and Fe2O3 layers occurs across the whole In/Fe2O3 interface and the synthesis of the ferromagnetic α-Fe phase starts above the initiation temperature T[[d]]in[[/d]] = 180 °C. X-ray diffraction, X-ray photoelectron spectroscopy, Mossbauer spectroscopy, transmission electron microscopy and magnetic measurements were used for phase identification and microstructure observation of the synthesized Fe-In2O3 samples. The reaction products contain (1 1 0) textured α-Fe nanocrystals with a diameter around 100 nm and surrounded by an In2O3 matrix. These results enable new efficient low-temperature methods for synthesizing ferromagnetic nanocomposite films containing ferromagnetic nanoclusters embedded in transparent conducting oxides. © 2014 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Tambasov, I. A.; Тамбасов, Игорь Анатольевич; Bayukov, O. A.; Баюков, Олег Артемьевич; Zhigalov, V. S.; Жигалов, Виктор Степанович; Bykova, L. E.; Быкова, Людмила Евгеньевна; Mikhlin, Yu. L.; Volochaev, M. N.; Bondarenko, G. N.; Бондаренко, Галина Николаевна
}
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    Revisiting the BaBiO3 semiconductor photocatalyst: synthesis, characterization, electronic structure, and photocatalytic activity / D. S. Shtarev, A. V. Shtareva, R. Kevorkyants [et al.] // Photochem. Photobiol. Sci. - 2021. - Vol. 20, Is. 9. - P. 1147-1160, DOI 10.1007/s43630-021-00086-y. - Cited References: 48. - We wish to thank the Russian Science Foundation for a Grant (Project No. 19-73-10013) in support of our study. The authors are also grateful to the staff of the following Institutes/Centers for their valuable technical assistance and in providing the needed equipment: (i) the Khabarovsk Innovation and Analytical Center of the Yu. A. Kosygin Institute of Tectonics and Geophysics FEB RAS; and (ii) the Resource Centers of the Research Park at Saint-Petersburg State University, especially the Center for Physical Methods of Surface Investigation and the Nanophotonics Center. One of us (NS) is grateful to the staff of the PhotoGreen Laboratory of the University of Pavia, Italy, for their continued hospitality . - ISSN 1474-905X. - ISSN 1474-9092
   Перевод заглавия: Новый анализ полупроводникового фотокатализатора BaBiO3: синтез, характеристика, электронная структура и фотокаталитическая активность

РУБ Biochemistry & Molecular Biology + Biophysics + Chemistry, Physical
Рубрики:
RHODAMINE-B
   OXIDE
   DRIVEN
   SUPERCONDUCTIVITY
   PSEUDOPOTENTIALS
Кл.слова (ненормированные):
Barium bismuthate -- Visible-light-active photocatalyst -- Photocatalytic activity -- Bandgaps -- Flatband potentials
Аннотация: This article revisits the properties of BaBiO3 examined extensively in the last two decades because of its electronic properties as a superconductor and as a semiconductor photocatalyst. Solid-state syntheses of this bismuthate have often involved BaCO3 as the barium source, which may lead to the formation of BaBiO3/BaCO3 heterostructures that could have an impact on the electronic properties and, more importantly, on the photocatalytic activity of this bismuthate. Accordingly, we synthesized BaBiO3 by a solid-state route to avoid the use of a carbonate; it was characterized by XRD, SEM, and EDX, while elemental mapping characterized the composition and the morphology of the crystalline BaBiO3 and its thin films with respect to structure, optoelectronic, and photocatalytic properties. XPS, periodic DFT calculations, and electrochemical impedance spectroscopy ascertained the electronic and electrical properties, while Raman and DRS spectroscopies assessed the relevant optical properties. The photocatalytic activity was determined via the degradation of phenol in aqueous media. Although some results accorded with earlier studies, the newer electronic structural data on this bismuthate, together with the photocatalytic experiments carried out in the presence of selective radical trapping agents, led to elucidating some of the mechanistic details of the photocatalytic processes that previous views of the BaBiO3 band structure failed to address or clarify. Analytical refinement of the XRD data inferred the as-synthesized BaBiO3 adopted the C2/m symmetry rather than the I2/m structure reported earlier, while Tauc plots from DRS spectra yielded a bandgap of 2.05 eV versus the range of 1.1–2.25 eV reported by others; the corresponding flatband potentials were 1.61 eV (EVB) and − 0.44 eV (ECB). The photocatalytic activity of BaBiO3 was somewhat greater than that of the well-known Evonik P25 TiO2 photocatalyst under comparable experimental conditions.

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Держатели документа:
Far Eastern Fed Univ, Lab Thin Film Technol, Ajax Bay 10, Vladivostok 690922, Russia.
St Petersburg State Univ, Lab Thotoact Nanocomposite Mat, Ulyanovskaya 1, St Petersburg 198504, Russia.
Far Eastern State Transport Univ, Serysheva 47, Khabarovsk 680021, Russia.
Kirensky Inst Phys, Akad Gorodok 50,Bld 38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Svobodny 79, Krasnoyarsk 660041, Russia.
Univ Pavia, PhotoGreen Lab, Dipartimento Chim, Via Taramelli 12, I-27100 Pavia, Italy.

Доп.точки доступа:
Shtarev, Dmitry S.; Shtareva, Anna, V; Kevorkyants, Ruslan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Serpone, Nick; Russian Science FoundationRussian Science Foundation (RSF) [19-73-10013]
}
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Polarized absorption spectra and spectroscopic parameters of Tm3+ in the TmAl3(BO3)(4) single crystal / A. V. Malakhovskii [et al.] // Phys. Solid State. - 2008. - Vol. 50, Is. 7. - P. 1287-1293, DOI 10.1134/S1063783408070159. - Cited References: 36 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
RARE-EARTH IONS
   ELECTRONIC ENERGY LEVELS
   DIODE-PUMPED LASER
   OPTICAL-ABSORPTION
   ALUMINUM GARNET
   MU-M
   INTENSITIES
   FLUORESCENCE
   GLASSES
   OXIDE
Аннотация: High-optical-quality single crystals of the TmAl3(BO3)(4) compound were synthesized from a solution in the melt. The absorption spectra in the sigma and pi polarizations for the H-3(6) - F-3(4), H-3(6) - H-3(5), H-3(6) - H-3(4), H-3(6) - F-3(3), H-3(6) - F-3(2), H-3(6) - (1)G(4), and H-3(6) - D-1(2) transitions in the Tm3+ ion were recorded at room temperature. The transition intensities were analyzed in the framework of the Judd-Ofelt theory generalized to the case of anisotropic crystals, and the following parameters of the theory were obtained: Omega(2) = 6.14 x 10(-20) cm(2), Omega(4) = 3.09 x 10(-20) cm(2), and Omega(6) = 2.04 x 10(-20) cm(2). The lifetimes and the branching ratios were determined for all possible transitions.

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Держатели документа:
[Malakhovskii, A. V.
Sokolov, A. E.
Temerov, V. L.
Bezmaternykh, L. N.
Sukhachev, A. L.
Seredkin, V. A.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gnatchenko, S. L.
Kachur, I. S.
Piryatinskaya, V. G.] Natl Acad Sci Ukraine, Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Verkin Institute for Low Temperature Physics and Engineering, National Academy of Sciences of Ukraine, pr. Lenina 47, Kharkov 61103, Ukraine

Доп.точки доступа:
Malakhovskii, A. V.; Малаховский, Александр Валентинович; Sokolov, A. E.; Соколов, Алексей Эдуардович; Temerov, V. L.; Темеров, Владислав Леонидович; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Sukhachev, A. L.; Сухачев, Александр Леонидович; Seredkin, V. A.; Середкин, Виталий Александрович; Gnatchenko, S. L.; Kachur, I. S.; Piryatinskaya, V. G.
}
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10.

    Materials synthesis, characterization and DFT calculations of the visible-light-active perovskite-like barium bismuthate Ba1.264(4)Bi1.971(4)O4 photocatalyst / D. S. Shtarev, A. V. Shtareva, R. Kevorkyants [et al.] // J. Mater. Chem. C. - 2020. - Vol. 8, Is. 10. - P. 3509-3519, DOI 10.1039/c9tc06457e. - Cited References: 42. - The current research was kindly funded by a grant from the Russian Science Foundation (project No. 19-73-10013). R. K., A. V. R., V. K. R. and T. V. B. acknowledge financial support from Saint-Petersburg State University (Pure ID 39054581). A. V. R. thanks the Russian Foundation for Basic Research for a Grant No. 18-03-00855 that supported studies into the photoinduced hydrophilicity of the bismuthate. The authors are further grateful to the staff of the Khabarovsk Innovation and Analytical Center of the Yu. A. Kosygin Institute of Tectonics and Geophysics of the Far Eastern Branch of the Russian Academy of Sciences, and the Resource Centers of the Research Park at the Saint-Petersburg State University: (i) the Center for Diagnostics of Functional Materials for Medicine, Pharmacology and Nanoelectronics, (ii) the Center for Physical Methods of Surface Investigation, (iii) the Center for Optical and Laser Materials Research, and the laboratories of (iv) Nanotechnology and (v) Nanophotonics for their valuable assistance in carrying out the research and in providing the needed equipment. One of us (N.S.) is grateful to Prof. Angelo Albini and the staff of the PhotoGreen Laboratory at the University of Pavia, Italy, for their continued hospitality. . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Синтез, характеризация и DFT-расчеты для перовскитоподобного висмутата бария Ba1.264(4)Bi1.971(4)O4, обладающим фотокаталитическими свойствами при облучении видимым светом

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
OXIDE
   NIO/SRBI2O4
   SPECTRA
   DRIVEN
   CO2
   LA
Аннотация: A perovskite-like barium bismuthate of the BaBi2O4 class, Ba1.264(4)Bi1.971(4)O4, has been prepared by solid-state synthesis and subsequently characterized by a number of experimental techniques (XPS, DRS, SEM, EDX and Raman spectroscopy), as well as by a DFT computational approach using the GGA Perdew–Burke–Ernzerhof (PBE) density functional to determine the energy band structure. XRD peaks were indexed to a rhombohedral cell (R[3 with combining macron]m) with parameters close to Ba0.156Bi0.844O1.422 (i.e., to Ba0.439Bi2.374O4), which upon Rietveld refinement gave Ba1.264(4)Bi1.971(4)O4. The Bi–O bond lengths determined from this refinement (1.86 and 2.31 Å) accorded with the bond lengths estimated from Raman spectra (1.97 and 2.26 Å). DFT calculations revealed the bismuthate to display two bandgaps that correspond to lower-energy indirect (2.28 eV) and to higher-energy direct (2.36 eV) electronic transitions in good agreement with the experimental bandgaps of 2.26 eV and 2.43 eV, respectively, from Tauc plots of DRS spectra. Relative to the indirect bandgap energy of 2.26 eV, the energies of the valence band and of the conduction band were, respectively, +1.14 eV and −1.12 eV. The photoactivity of Ba1.264(4)Bi1.971(4)O4 was examined toward the photoreduction of the greenhouse gas CO2 in aqueous media photoelectrochemically yielding alcohols and alkanes, while in the gas phase in an infrared cell reactor the products were carbon monoxide and alkanes.

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Держатели документа:
Russian Acad Sci, YuA Kosygin Inst Tecton & Geophys, Far Eastern Branch, 65 Kim Yu Chen St, Khabarovsk 680063, Russia.
Far Eastern State Transport Univ, 47 Seryshev St, Khabarovsk 680021, Russia.
St Petersburg State Univ, Lab Photoact Nanocomposite Mat, Ulyanovskaya 1, St Petersburg 198904, Russia.
Kirensky Inst Phys, Akademgorodok 50,Bld 38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Pr, Krasnoyarsk 660041, Russia.
St Petersburg State Univ, Dept Photon, Ulyanovskaya 1, St Petersburg 198904, Russia.
Univ Pavia, Dipartimento Chim, PhotoGreen Lab, Via Taramelli 12, I-27100 Pavia, Italy.

Доп.точки доступа:
Shtarev, D. S.; Shtareva, A., V; Kevorkyants, R.; Rudakova, A., V; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bakiev, T., V; Bulanin, K. M.; Ryabchuk, V. K.; Serpone, N.; Russian Science FoundationRussian Science Foundation (RSF) [19-73-10013]; Saint-Petersburg State University [39054581]; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-03-00855]
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