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1.


   
    Catalytic properties and nature of active centers of ferrospheres in oxidative coupling of methane / A. G. Anshits [et al.] // Appl. Catal. A-Gen. - 2016. - Vol. 524. - P. 192-199, DOI 10.1016/j.apcata.2016.06.032. - Cited References:47. - This study was supported by the Russian Science Foundation (project no. 14-13-00289). . - ISSN 0926-860X. - ISSN 1873-3875
   Перевод заглавия: Каталитические свойства и природа активных центров ферросфер в оксидативной связи метана
РУБ Chemistry, Physical + Environmental Sciences
Рубрики:
GLASS CRYSTAL CATALYSTS
   MAGNETIC-PROPERTIES

   PROFILE REFINEMENT

   FLY-ASH

   MOSSBAUER

   MICROSPHERES

   PERFORMANCE

   CONVERSION

   ETHYLENE

   OXIDE

Кл.слова (ненормированные):
Methane coupling -- Active center -- Ferrospinel -- Mossbauer spectroscopy
Аннотация: Ferrospheres with the Fe2O3 content in the range from 76 to 97 wt% were applied as catalysts for the oxidative coupling of methane (OCM). To identify their phase composition and distribution of iron sites, the ferrospheres were characterized by X-ray powder diffraction and Mossbauer spectroscopy before and after the OCM reaction. Magnetite-based ferrite spinel, hematite and aluminosilicate glasses were established to be the main phases. The ferrospinel of all ferrospheres partially oxidized to hematite after the OCM reaction. It was established that the yield of C-2-hydrocarbons sharply increased at the ferrospheres with Fe2O3 content higher than 89 wt% The spinel phase of these ferrospheres includes Fevv3+(B) sites with a Ca2+ tetrahedral cation and an octahedral cation vacancy among the nearest neighbors. A linear correlation between the yield of C-2-hydrocarbons (ethane and ethylene) and the content of such sites was established, thus indicating that their electrophilic oxygen species participate in selective CH4 conversion to C2H6. (C) 2016 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Akad Gorodok 50-24, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Akad Gorodok 50-38, Krasnoyarsk 660036, Russia.
Univ Rostock, Leibniz Inst Katalyse eV, Albert Einstein Str 29 a, D-18059 Rostock, Germany.

Доп.точки доступа:
Anshits, A. G.; Bayukov, O. A.; Баюков, Олег Артемьевич; Kondratenko, E. V.; Anshits, N. N.; Pletnev, O. N.; Плетнев, Олег Николаевич; Rabchevskii, E. V.; Solovyov, L. A.; Russian Science Foundation [14-13-00289]
}
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2.


   
    Effect of Gd and Sr ordering in a sites of doped Gd0.2Sr0.8CoO3-δ perovskite on its structural, magnetic, and thermodynamic properties / V. A. Dudnikov [et al.] // J. Phys. Chem. C. - 2016. - Vol. 120, Is. 25. - P,. 13443-13449, DOI 10.1021/acs.jpcc.6b04810. - Cited References: 45. - The authors are thankful to the Russian Science Foundation (Project No. 16-13-00060) for financial support. The magnetic measurements were carried out in the Shared Facility Centre of P. N. Lebedev Physical Institute of RAS. . - ISSN 1932-7447
Рубрики:
Ln1-xSrxCoO(3-δ) Ln
   PROFILE REFINEMENT

   CRYSTAL-STRUCTURE

   OXYGEN-CONTENT

   COBALTITES

   OXIDE

   La1-xSrxCoO3-δ

   Dy3+

   SPIN

   Ho3+

Аннотация: Magnetic and thermodynamic properties of perovskite Gd0.2Sr0.8CoO3−δ, with ordered and disordered states of Gd and Sr in the A-sites of the crystal lattice have been studied revealing remarkable differences in the physical properties of the ordered and disordered states. The ordered samples have larger oxygen nonstoichiometry, heat capacity, and thermal expansion anomalies, and abnormal temperature dependence of the magnetization around 350 K.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Lebedev Physical Institute, Moscow, Russian Federation
Institute of Chemistry and Chemical Technology, Krasnoyarsk, Russian Federation
Faculty of Physics, Lomonosov Moscow State University, Moscow, Russian Federation

Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Gavrilkin, S. Yu.; Gorev, M. V.; Горев, Михаил Васильевич; Vereshchagin, S. N.; Solovyov, L. A.; Соловьев, Леонид Александрович; Perov, N. S.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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3.


   
    Effect of strontium and barium doping on the magnetic state and electrical conductivity of GdCoO3 / N. B. Ivanova [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 8. - P. 1498-1506, DOI 10.1134/S1063783407080161. - Cited References: 36 . - ISSN 1063-7834
РУБ Physics, Condensed Matter
Рубрики:
PEROVSKITE
   ORDER

   OXIDE

   BEHAVIOR

   GLASSES

   LACOO3

   PR

   GD

   SM

   ND

Аннотация: A coordinated investigation of the magnetic and electrical properties of polycrystalline cobalt oxide compounds CdCoO3, Gd0.9Ba0.1CoO3, and Gd0.9Sr0.1CoO3 is carried out. Undoped GdCoO3 reveals a low conductivity; a magnetic moment of 7.4 mu(B) per molecule, which is less than the theoretical value for the Gd3+ ion; and an asymptotic Curie temperature of -6 K. Doping GdCoO3 with barium and strontium to substitution of 10 at. % Gd brings about an increase in the conductivity and magnetic transitions at T = 300 K for Gd0.9Ba0.1CoO3 and T = 170 K for Gd0.9Sr0.1CoO3. The magnetization anomalies imply the formation of magnetic clusters. The behavior of the electrical conductivity at high temperatures suggests a variable activation energy. At low temperatures, Mott hopping conduction sets in.

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Публикация на русском языке Влияние допирования стронцием и барием на магнитное состояние и электропроводность GdCoO[3] [Текст] / Н. Б. Иванова [и др.] // Физ. тверд. тела. - 2007. - Т. 49 Вып. 8. - С. 1427-1435

Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Univ Guadalajara, CUCEI, Dept Fis, Guadalajara 44430, Jalisco, Mexico
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Departmento de Fisica, C.U.C.E.I., Universidade de Guadalajara, Guadalajara, Jalisco 44430, Mexico

Доп.точки доступа:
Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Michel, C. R.; Balaev, A. D.; Балаев, Александр Дмитриевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Bulina, N. V.; Булина, Наталья Васильевна; Panchenko, E. B.
}
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4.


   
    Features of the pulsed magnetization switching in a high-coercivity material based on ε-Fe2O3 nanoparticles / S. I. Popkov, A. A. Krasikov, S. V. Semenov [et al.] // Phys. Solid State. - 2020. - Vol. 62, Is. 3. - P. 445-453, DOI 10.1134/S1063783420030166. - Cited References: 44. - The study was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Krai, and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, project no. 18-42-240012 "Magnetization Switching of Magnetic Nanoparticles in Strong Pulsed Magnetic Fields: New Approach to Studying the Dynamic Effects Related to the Magnetization of Magnetic Nanoparticles." . - ISSN 1063-7834. - ISSN 1090-6460
РУБ Physics, Condensed Matter
Рубрики:
HIGH-TEMPERATURE
   WAVE ABSORBER

   OXIDE

   FIELD

   TRANSITION

   RESONANCE

Кл.слова (ненормированные):
ε-Fe2O3 nanoparticles -- dynamic magnetization switching -- coercivity
Аннотация: The magnetic structure of the ε-Fe2O3 iron oxide polymorphic modification is collinear ferrimagnetic in the range from room temperature to ~150 K. As the temperature decreases, ε-Fe2O3 undergoes a magnetic transition accompanied by a significant decrease in the coercivity Hc and, in the low-temperature range, the compound has a complex incommensurate magnetic structure. We experimentally investigated the dynamic magnetization switching of the ε-Fe2O3 nanoparticles with an average size of 8 nm in the temperature range of 80–300 K, which covers different types of the magnetic structure of this iron oxide. A bulk material consisting of xerogel SiO2 with the ε-Fe2O3 nanoparticles embedded in its pores was examined. The magnetic hysteresis loops under dynamic magnetization switching were measured using pulsed magnetic fields Hmax of up to 130 kOe by discharging a capacitor bank through a solenoid. The coercivity Нс upon the dynamic magnetization switching noticeably exceeds the Нс value under the quasi-static conditions. This is caused by the superparamagnetic relaxation of magnetic moments of particles upon the pulsed magnetization switching. In the range from room temperature to ~ 150 K, the external field variation rate dH/dt is the main parameter that determines the behavior of the coercivity under the dynamic magnetization switching. It is the behavior that is expected for a system of single-domain ferro- and ferrimagnetic particles. Under external conditions (at a temperature of 80 K) when the ε-Fe2O3 magnetic structure is incommensurate, the coercivity during the pulsed magnetization switching depends already on the parameter dH/dt and is determined, to a great extent, by the maximum applied field Hmax. Such a behavior atypical of systems of ferrimagnetic particles is caused already by the dynamic spin processes inside the ε-Fe2O3 particles during fast magnetization switching.

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Публикация на русском языке Особенности импульсного перемагничивания высококоэрцитивного материала на основе наночастиц ε-Fe2O3 [Текст] / С. И. Попков, А. А. Красиков, С. В. Семенов [и др.] // Физ. тверд. тела. - 2020. - Т. 62 Вып. 3. - С. 395-402

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Krasnoyarsk Sci Ctr, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Boreskov Inst Catalysis, Siberian Branch, Novosibirsk 630090, Russia.

Доп.точки доступа:
Popkov, S. I.; Попков, Сергей Иванович; Krasikov, A. A.; Красиков, Александр Александрович; Semenov, S. V.; Семёнов, Сергей Васильевич; Dubrovskii, A. A.; Дубровский, Андрей Александрович; Yakushkin, S. S.; Kirillov, V. L.; Mart'yanov, O. N.; Balaev, D. A.; Балаев, Дмитрий Александрович; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); Government of the Krasnoyarsk Krai; Krasnoyarsk Territorial Foundation [18-42-240012]
}
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5.


   
    Features of the structure, microstructure, and magnetic properties of manganese-aluminum spinels obtained in various thermal treatment conditions / D. A. Balaev [et al.] // Phys. Solid State. - 2013. - Vol. 55, Is. 7. - P. 1401-1406, DOI 10.1134/S1063783413070056. - Cited References: 18. - This study was supported by the Russian Foundation for Basic Research (project no. 12-03-90839-mol_rf_nr) and the Ministry of Education and Science of the Russian Federation (agreement no. 8429). . - ISSN 1063-7834
РУБ Physics, Condensed Matter
Рубрики:
A-SITE SPINELS
   CATALYSTS

   OXIDE

   MN3O4

Аннотация: The structural, microstructural, and magnetic properties of aluminum-manganese oxide in the ratio Mn: Al = 1: 1 in the well-crystallized and nanoheterogeneous states have been investigated. This oxide is obtained under various thermal treatment conditions and at different partial pressures of oxygen. The composition and cation distribution of the manganese and aluminum ions in spinel sites are determined. It is shown that the studied compound is a ferrimagnet with the Curie point T (C) a parts per thousand 26 K.

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Публикация на русском языке Особенности структуры, микроструктуры и магнитных свойств марганец-алюминиевых шпинелей, полученных при различных условиях термообработки // Физика твердого тела. - 2013. - Т. 55, Вып. 7. - С. 1304-1309

Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia

Доп.точки доступа:
Balaev, D. A.; Балаев, Дмитрий Александрович; Bulavchenko, O. A.; Dubrovskii, A. A.; Дубровский, Андрей Александрович; Tsybulya, S. V.; Cherepanova, S. V.; Gerasimov, E. Y.; Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович
}
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6.


   
    High performance hybrid rGO/ Ag quasi-periodic mesh transparent electrodes for flexible electrochromic devices / A. S. Voronin [et al.] // Appl. Surf. Sci. - 2016. - Vol. 364. - P. 931–937, DOI 10.1016/j.apsusc.2015.12.182. - Cited References: 31 . - ISSN 0169-4332. - ISSN 1873-5584
РУБ Chemistry, Physical + Materials Science, Coatings & Films + Physics, Applied + Physics, Condensed Matter
Рубрики:
NANOWIRE NETWORKS
   GRAPHENE FILMS

   OXIDE

   OXIDATION

   HEATERS

Кл.слова (ненормированные):
Quasi-periodic mesh transparent electrode self-organized template -- Reduced graphene oxide (rGO) -- Flexible electrochromic device
Аннотация: A possibility of creating a stable hybrid coating based on the hybrid of a reduced graphene oxide (rGO)/ Ag quasi-periodic mesh (q-mesh) coating has been demonstrated. The main advantages of the suggested method are the low cost of the processes and the technology scalability. The Ag q-mesh coating is formed by means of the magnetron sputtering of silver on the original template obtained as a result of quasi-periodic cracking of a silica film. The protective rGO film is formed by low temperature reduction of a graphene oxide (GO) film, applied by the spray-deposition in the solution of NaBH4. The coatings have low sheet resistance (12.3 Ω/sq) and high optical transparency (82.2%). The hybrid coating are characterized by high chemical stability, as well as they show high stability to deformation impacts. High performance of the hybrid coatings as electrodes in the sandwich-system «electrode – electrochromic composition – electrode» has been demonstrated. The hybrid electrodes allow the electrochromic sandwich to function without any visible degradation for a long time, while an unprotected mesh electrode does not allow performing even a single switching cycle.

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Доп.точки доступа:
Voronin, A. S.; Ivanchenko, F. S.; Simunin, M. M.; Shiverskiy, A. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Nemtsev, I. V.; Fadeev, Y. V.; Karpova, D. V.; Khartov, S. V.
}
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7.


   
    Low-temperature magnetic behavior of the rare-earth cobaltites GdCoO3 and SmCoO3 / N. B. Ivanova [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 11. - P. 2126-2131, DOI 10.1134/S1063783407110182. - Cited References: 32. - This study was supported by the Branch of General Physics and Astronomy of the Russian Academy of Sciences within the framework of the program “Strong Electron Correlations” and the Russian Science Support Foundation . - ISSN 1063-7834
РУБ Physics, Condensed Matter
Рубрики:
METAL-INSULATOR-TRANSITION
   RCOO3 R

   SPIN-STATE

   OXIDE

   SM

   ND

   PEROVSKITE

   GLASSES

   PR

   EU

Аннотация: The temperature and magnetic field dependences of the static magnetization of the polycrystalline rare-earth cobaltites GdCoO3 and SmCoO3 have been measured. It is shown that, below room temperature, the magnetization of both compounds derives primarily from the rare-earth ion paramagnetism. The GdCoO3 and SmCoO3 compounds have been found to differ substantially in magnetic behavior, which can be traced to differences in their electronic shell structures. The magnetic behavior of GdCoO3 is close to that of an array of free Gd3+ ions, whereas in SmCoO3 the deviation from the free-ion properties is very large because of the Sm3+ ground state being crystal-field split. Van Vleck magnetic susceptibility measurements of SmCoO3 suggest that the splitting is similar to 10 K.

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Публикация на русском языке Сравнение одноэлектронного и многоэлектронного механизмов концентрационной зависимости зонной структуры ВТСП-купратов [Текст] / В. А. Гавричков [и др.] // Физ. тверд. тела. - 2007. - Т. 49 Вып. 11. - С. 1958-1963

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Univ Guadalajara, Dept Fis, CUCEI, Guadalajara 44430, Jalisco, Mexico
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Departamento de Fisica, C.U.C.E.I., Universidad de Guadalajara, Guadalajara, Jalisco 44430, Mexico

Доп.точки доступа:
Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Michel, C. R.; Balaev, A. D.; Балаев, Александр Дмитриевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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8.


   
    Magnetic properties of few nanometers ɛ-Fe2O3 nanoparticles supported on the silica / S. S. Yakushkin [et al.] // J. Appl. Phys. - 2012. - Vol. 111, Is. 4. - Ст. 44312, DOI 10.1063/1.3686647. - Cited References: 27. - authors thank A. D. Balaev and N. V. Volkov for fruitful discussions and comments. This work was supported by Program of RAS No. 27.46. . - ISSN 0021-8979
Рубрики:
HIGH-TEMPERATURE
   IRON

   STABILIZATION

   OXIDE

   GEL

Аннотация: Magnetic properties of ɛ-Fe2O3nanoparticles supported on silica with the average size of few nanometers, narrow size distribution and no admixture of any other iron oxide polymorphs are investigated. The investigation of the temperature behavior of magnetization within the temperature range from 4.2 to 1000 K revealed the presence of several magnetic subsystems in the species under study. The temperatures’ behavior of the magnetic moment value indicates ferrimagnetic ordering in the ɛ-Fe2O3nanoparticles with a Curie temperature of about 800 K and points to the existence of a significant paramagnetic contribution becoming apparent at low temperatures. According to the electron spin resonance data, the particles possess superparamagnetic behavior at temperature higher ∼120 K. The model of the magnetic structure of monophase system of few nanometers ɛ-Fe2O3nanoparticles supported on silica is proposed.

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Держатели документа:
[Yakushkin, S. S.
Bukhtiyarova, G. A.
Martyanov, O. N.] Russian Acad Sci, Boreskov Inst Catalysis, Siberian Branch, Novosibirsk 630090, Russia
[Dubrovskiy, A. A.
Balaev, D. A.
Shaykhutdinov, K. A.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Yakushkin, S. S.; Dubrovskiy, A. A.; Дубровский, Андрей Александрович; Balaev, A. D.; Балаев, Александр Дмитриевич; Shaykhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Bukhtiyarova, G. A.; Martyanov, O. N.
}
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9.


   
    Magnetic properties of NiO nano particles: Contributions of the antiferromagnetic and ferromagnetic subsystems in different magnetic field ranges up to 250 kOe / D. A. Balaev [et al.] // Phys. Solid State. - 2017. - Vol. 59, Is. 8. - P. 1547-1552, DOI 10.1134/S1063783417080029. - Cited References:40. - This study was supported by the Russian Foundation for Basic Research, Government of the Krasnoyarsk Territory, and Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activity, project no. 17-42-240138. . - ISSN 1063-7834. - ISSN 1090-6460
РУБ Physics, Condensed Matter
Рубрики:
EXCHANGE-BIAS
   FERRIHYDRITE NANOPARTICLES

   HYSTERESIS ANOMALIES

   OXIDE

Аннотация: The magnetic properties of antiferromagnetic NiO nanoparticles prepared by thermal decomposition of nickel hydroxocarbonate are investigated. According to the data of magnetization measurements in fields of up to 250 kOe, the magnetic moment linearly grows in strong fields, which is caused by the contribution of the antiferromagnetically ordered nanoparticle core, and the antiferromagnetic susceptibility corresponds to that of bulk polycrystalline NiO. This allowed the antiferromagnetic and ferromagnetic contributions to the total magnetic response of a sample to be quantitatively determined. The latter occurs due to the incomplete spin compensation in an antiferromagnetic nanoparticle caused by defects on its surface. It is demonstrated that to correctly determine the superparamagnetic blocking temperature, it is necessary to take into account the antiferromagnetic susceptibility of the particle core.

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Публикация на русском языке Магнитные свойства наночастиц NiO: вклады антиферромагнитной и ферромагнитной подсистем в различных диапазонах магнитных полей до 250 kOe [Текст] / Д. А. Балаев [и др.] // Физ. тверд. тела : Наука, 2017. - Т. 59 Вып. 8. - С. 1524-1529

Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Boreskov Inst Catalysis, Siberian Branch, Novosibirsk 630090, Russia.

Доп.точки доступа:
Balaev, D. A.; Балаев, Дмитрий Александрович; Dubrovskiy, A. A.; Дубровский, Андрей Александрович; Krasikov, A. A.; Красиков, Александр Александрович; Popkov, S. I.; Попков, Сергей Иванович; Balaev, A. D.; Балаев, Александр Дмитриевич; Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Kirillov, V. L.; Mart'yanov, O. N.; Russian Foundation for Basic Research; Government of the Krasnoyarsk Territory; Krasnoyarsk Territorial Foundation [17-42-240138]
}
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    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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