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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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Bychek, A. A.
Decay of symmetry-protected quantum states / A. A. Bychek, D. N. Maksimov, A. R. Kolovsky // Phys. Rev. A. - 2020. - Vol. 102, Is. 3. - Ст. 033324, DOI 10.1103/PhysRevA.102.033324. - Cited References: 47. - This work has been supported by Russian Science Foundation through Grant No. N19-12-00167. We appreciate discussions with A. F. Sadreev and E. N. Bulgakov. We are also grateful to G. P. Fedorov for his critical reading of the manuscript . - ISSN 2469-9926. - ISSN 2469-9934

РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
DRIVEN
Аннотация: We study the decay of bosonic many-body states in the triple-well Bose-Hubbard model where bosons in the central well can escape into a reservoir. For vanishing interparticle interaction this system supports a nondecaying many-body state which is the antisymmetric Bose-Einstein condensate with particles occupying only the edge wells. In the classical approach this quantum state corresponds to a symmetry-protected nondecaying state which is stable even at finite interaction below a certain intensity threshold. Here we demonstrate that despite the fact that the classical counterpart is stable the antisymmetric Bose-Einstein condensate is always metastable at finite interatomic interactions due to quantum fluctuations.

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Держатели документа:
Fed Res Ctr KSC SB RAS, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Maksimov, D. N.; Максимов, Дмитрий Николаевич; Kolovsky, A. R.; Коловский, Андрей Радиевич; Бычек, Анна Андреевна; Russian Science FoundationRussian Science Foundation (RSF) [N19-12-00167]
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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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