Article
Chemistry, Multidisciplinary
Sergey N. Volkov, Sergey M. Aksenov, Valentina A. Yukhno, Rimma S. Bubnova, Alexey Povolotskiy, Maxim Yu Arsent'ev, Valery L. Ugolkov, Maria G. Krzhizhanovskaya
Summary: Temperature-dependent structural investigations were conducted on layered pentaborate NaSr[B5O9], showing slightly anisotropic thermal expansion behavior and an increase in monoclinic beta angle above 600 degrees C. The structure type strongly depends on the ionic radii difference between alkaline A(+) and alkaline-earth B2+ cations. Furthermore, ab initio calculations revealed the instability of the compound KCa[B5O9] due to size mismatch of the K+ and Ca2+ cations.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Physical
C. Bertram, D. P. Miller, Chr Schunke, I Kemeny, M. W. Kimura, U. Bovensiepen, E. Zurek, K. Morgenstern
Summary: The study reports the self-assembly of chlorobenzene molecules on the Cu(111) surface into nanosized clusters and investigates the role of halogen bonds and weak hydrogen bonds in nanocluster formation. Through experiments and calculations, specific binding motifs within the clusters that lead to their formation and stability are identified.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Dmitrii Pankin, Mikhail Smirnov, Anastasia Povolotckaia, Alexey Povolotskiy, Evgenii Borisov, Maksim Moskovskiy, Anatoly Gulyaev, Stanislav Gerasimenko, Aleksandr Aksenov, Maksim Litvinov, Alexey Dorochov
Summary: This paper discusses the applicability of optical and vibrational spectroscopies for the identification and characterization of the T-2 mycotoxin, and proposes a method to determine the fingerprint of T-2 mycotoxin by simulating its molecular structure, vibrational, and electronic properties.
Article
Materials Science, Ceramics
R. S. Bubnova, A. Povolotskiy, Y. P. Biryukov, I. E. Kolesnikov, S. N. Volkov, S. K. Filatov
Summary: The novel phosphors Ba6(Lu1-xEux)(5)B9O27 (x = 0.02-0.2) were obtained by cooling from a melt and their structural and luminescent properties were studied. The data showed that an increase in Eu3+ content led to an increase in cell parameters. It was found that Eu3+ ions preferentially occupied larger polyhedra before moving on to occupy smaller ones. Concentration quenching effect was observed for samples with 0.1 < x < 0.2, suggesting an effect of substitution on the smallest polyhedra on luminescence quenching.
CERAMICS INTERNATIONAL
(2022)
Article
Materials Science, Ceramics
S. V. Demina, A. P. Shablinskii, A. V. Povolotskiy, R. S. Bubnova, Y. P. Biryukov, V. A. Firsova, S. K. Filatov
Summary: Ba3Y2-xErx(BO3)(4) (x = 0.01, 0.05, 0.1, 0.15, 0.2, 0.25, 0.3) phosphors were synthesized by crystallization from a melt. The crystal structure of Ba3Y2(BO3)(4) was determined through X-ray diffraction and showed an orthorhombic structure with specific unit cell parameters. The thermal behavior and luminescence properties of Ba3Y2(BO3)(4) doped with Er ions were also studied, indicating the absence of structural changes. The x = 0.1 sample exhibited the highest luminescence intensity.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Sergey N. Volkov, Valentina A. Yukhno, Rimma S. Bubnova, Sergey M. Aksenov, Alexey V. Povolotskiy, Dmitri O. Charkin, Maxim Yu Arsent'ev, Valery L. Ugolkov, Maria G. Krzhizhanovskaya
Summary: We report the results of a structural reinvestigation and a more plausible solution for an acentric barium borate. The crystals of this compound exhibit pseudomerohedral twinning, resulting in a complex diffraction pattern. The new structure solution reveals that BaB8O13 is the most complex octaborate, with a boron-oxygen framework consisting of various borate groups. The synthesized crystals were characterized by various methods and showed unique properties such as negative thermal expansion.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Inorganic & Nuclear
Sergey N. Volkov, Dmitri O. Charkin, Vera A. Firsova, Lev S. Manelis, Alexander M. Banaru, Alexey Povolotskiy, Valentina A. Yukhno, Maxim Yu. Arsent'ev, Yevgeny Savchenko, Valery L. Ugolkov, Maria G. Krzhizhanovskaya, Rimma S. Bubnova, Sergey M. Aksenov
Summary: Using glass crystallization and solid-state techniques, a family of salt-inclusion silver halide borates, Ag4B7O12X, was successfully synthesized and characterized. The study revealed strong anharmonicity of thermal vibrations in the silver atoms in all structures. As the halide member changed, the melting point decreased, the configuration entropy decreased, and the thermal expansion, anisotropy, and thermal vibration anharmonicity increased, indicating a decrease in stability.
INORGANIC CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Andrey P. Shablinskii, Alexey V. Povolotskiy, Artem A. Yuriev, Yaroslav P. Biryukov, Rimma S. Bubnova, Margarita S. Avdontceva, Svetlana Yu. Janson, Stanislav K. Filatov
Summary: The novel red-emitting BaBi2-xEuxB4O10 (x = 0.05, 0.1, 0.2, 0.25, 0.3, 0.4, 0.5, 0.6) phosphors were synthesized by crystallization from a glass. The distribution of Eu3+ ions over cation sites was refined using X-ray diffraction data. Emission and excitation spectra of the Eu3+-doped BaBi2B4O10 phosphors were investigated, and the optimal concentration was found to be x = 0.4. The chromaticity coordinates of BaBi2B4O10:Eu3+ (x = 0.4) phosphor were close to the NTSC standard values for commercial red phosphors. These results suggest that BaBi2B4O10:Eu3+ phosphors are promising candidates for solid state lighting applications.
Article
Chemistry, Multidisciplinary
Sergey Volkov, Maxim Arsent'ev, Valery Ugolkov, Alexey Povolotskiy, Yevgeny Savchenko, Maria Krzhizhanovskaya, Rimma Bubnova, Sergey Aksenov
Summary: The incommensurately modulated structures of bismuth oxyhalide borates, Bi4BO7X (X = Cl and Br), are similar to the previously reported oxyiodide and consist of alternating litharge-related [Bi4O4](4+) layers of edge-sharing OBi4 tetrahedra. The X- and BO33- anions are arranged in the interlayer space in a specific sequence. The incommensurate structure is deceptively close to a commensurate fourfold a x b x 4c superstructure, but accurate analysis of diffraction data reveals its incommensurate nature. The stability of the a x b x 4c superstructure of Bi4BO7Br under ambient conditions can be predicted based on DFT calculations.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Multidisciplinary Sciences
Rimma S. Bubnova, Andrey P. Shablinskii, Alexey V. Povolotskiy, Olga Yu. Shorets, Valery L. Ugolkov, Sergey N. Volkov, Valentina A. Yukhno, Stanislav K. Filatov
Summary: A novel Ba3Sr3B4O12: Eu3+ phosphor was synthesized by crystallization from a melt. The crystal structure of Ba-3(Sr3-1.5xEux)B4O12 solid solutions, belonging to the anti-zeolite family of borates, was refined. The Ba3Sr2.625Eu0.25B4O12 borate exhibited a new crystal structure type and demonstrated the strongest luminescent intensity among the solid solutions.
Article
Materials Science, Multidisciplinary
Alexey V. Povolotskiy, Oksana S. Smirnova, Diana A. Soldatova, Anastasia V. Povolotckaia, Daniil A. Lukyanov
Summary: Hybrid nanostructures composed of gold nanoparticles and water-soluble porphyrin have been developed as local heaters under optical excitation, with the porphyrin also serving as a fluorescent thermometer.
Article
Crystallography
Rimma Bubnova, Valentina Yukhno, Artem Yurev, Alexey Povolotskiy, Maria Krzhizhanovskaya, Sergey Volkov, Valery Ugolkov, Stanislav Filatov
Summary: A novel non-centrosymmetric NdSr4O(BO3)(3) borate and solid solutions of Nd(Ca1- xSrx)(4)O (BO3)(3) have been synthesized. The crystal structures of the solid solutions were determined using single crystal X-ray diffraction. The study reveals a similarity between thermal expansion and compositional deformations. Additionally, the series of solid solutions shows a maximum SHG signal at x=0.2.
Article
Food Science & Technology
Dmitrii Pankin, Anastasia Povolotckaia, Eugene Borisov, Alexey Povolotskiy, Sergey Borzenko, Anatoly Gulyaev, Stanislav Gerasimenko, Alexey Dorochov, Viktor Khamuev, Maksim Moskovskiy
Summary: Wheat has been crucial in human agriculture for centuries, and the increasing production of processed wheat products necessitates laboratory studies for quality control, including the detection of fungal diseases. This study utilized spectroscopic methods to investigate ergot-infected wheat samples, and chemometric analysis was employed to identify the most specific spectral ranges.
Article
Materials Science, Ceramics
A. V. Povolotskiy, T. I. Sheremet, Yu. S. Tveryanovich
Summary: This study investigates the properties of carbon films fabricated by laser plasma on simple gaseous hydrocarbons, and the changes in these films caused by subsequent thermal or laser treatment. The results show that different treatments lead to variations in the structure and hybridization state of carbon films.
GLASS PHYSICS AND CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Sergey N. Volkov, Dmitri O. Charkin, Maxim Yu. Arsentev, Sergey M. Aksenov, Lev S. Manelis, Maria G. Krzhizhanovskaya, Olga Yu. Sinelshchikova, Valery L. Ugolkov, Alexey V. Povolotskiy, Vladimir V. Shilovskikh, Andrey A. Antonov, Rimma S. Bubnova
Summary: This article introduces a new silver iodide borate as a promising solid-state electrolyte with multiple isosymmetric superionic phase transitions, which significantly improves conductivity and exhibits large room-temperature anharmonicity vibration and negative thermal expansion. Furthermore, the structural diversity can be explained by considering the difference in ionic radii.
