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    Halogen-doped Chevrel phase Janus monolayers for photocatalytic water splitting
/ E. V. Sukhanova, N. E. Sagatov, A. S. Oreshonkov [et al.] // Nanomaterials. - 2023. - Vol. 13, Is. 2. - Ст. 368, DOI 10.3390/nano13020368. - Cited References: 85. - The authors acknowledge financial support from the Russian Science Foundation (no. 21-73-20183) . - ISSN 2079-4991
   Перевод заглавия: Гологен-допированные шеврелеподобные монослои со структурой типа "Янус" для фотокаталитического расщепления воды

Кл.слова (ненормированные):
TMDs -- non-van der Waals monolayers -- Mo6S8 -- Mo3S4 -- 2D materials -- exfoliation -- OER -- HER -- nanomaterials

Аннотация: Chevrel non-van der Waals crystals are promising candidates for the fabrication of novel 2D materials due to their versatile crystal structure formed by covalently bonded (Mo6X8) clusters (X–chalcogen atom). Here, we present a comprehensive theoretical study of the stability and properties of Mo-based Janus 2D structures with Chevrel structures consisting of chalcogen and halogen atoms via density functional theory calculations. Based on the analysis performed, we determined that the S2Mo3I2 monolayer is the most promising structure for overall photocatalytic water-splitting application due to its appropriate band alignment and its ability to absorb visible light. The modulated Raman spectra for the representative structures can serve as a blueprint for future experimental verification of the proposed structures.

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Держатели документа:
Laboratory of Acoustic Microscopy, Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, 119334 Moscow, Russia
Laboratory of Phase Transformations and State Diagrams of the Earth’s Matter at High Pressures, Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, 630090 Novosibirsk, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
School of Engineering and Construction, Siberian Federal University, 660041 Krasnoyarsk, Russia
Geology Geophysics Department, Novosibirsk State University, 630090 Novosibirsk, Russia

Доп.точки доступа:
Sukhanova, Ekaterina V.; Sagatov, Nursultan E.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Gavryushkin, Pavel N.; Popov, Zakhar I.

    Synthesis of MoSSe and WSSe via direct ampule method: Exploring structural and electronic properties, liquid exfoliation and electrocatalytic performance for hydrogen production
/ A. S. Oreshonkov, Yu. G. Denisenko, N. O. Azarapin [et al.] // J. Alloys Compd. - 2025. - Vol. 1028. - Ст. 180642, DOI 10.1016/j.jallcom.2025.180642. - Cited References: 62. - A.S. Oreshonkov, M.N. Volochaev and I.V. Nemtsev thank for support the state assignment of Kirensky Institute of Physics (No FWES-2024–0003). Yu.G. Denisenko, N.O. Azarapin, M.S. Molokeev and P.O. Glukhova thank for support the state assignment of University of Tyumen (FEWZ-2024-0052). The authors thank Thomas Schäfer (University of Giessen) for his invaluable assistance in developing the synthesis modes. K.I. Maslakov acknowledges support from the Lomonosov Moscow State University Program of Development for providing access to the XPS facility. The authors are grateful to the Joint Supercomputer Center and the Information Technology Centre of Novosibirsk State University. The SEM and TEM measurements were performed at Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS". This work was partially performed using resources of the Research Resource Center "Natural Resource Management and Physico-Chemical Research" (University of Tyumen) . - ISSN 0925-8388. - ISSN 1873-4669
   Перевод заглавия: Синтез MoSSe и WSSe ампульным методом: исследование структурных и электронных свойств, жидкостное расслоение и электрокаталитическая активность для получения водорода

Кл.слова (ненормированные):
HER -- Transition metal dichalcogenides -- Ternary alloys -- Electrocatalysis -- Hydrogen production

Аннотация: Since catalytically active materials require special synthesis conditions, which cause difficulty in scaling, it is necessary to develop new lightweight scalable approaches for industrial applications. The most obvious way is to use elementary components to fabricate complex structures. In our work, we used a fundamental ampoule synthesis method to produce MSSe (M = Mo, W) powders with a homogeneous random distribution of chalcogen atoms. The synthesized samples exhibit P63/mmc space group indicating the existence of 2?H phase which was proved by comprehensive experimental and theoretical analysis and demonstrates rational characteristics in the hydrogen evolution reaction. The Tafel slopes for synthesized MoSSe and WSSe are 93 and 86?mV/dec, respectively. Moreover, the MSSe samples demonstrate the same catalytic activity in the hydrogen evolution reaction as the samples subjected to ultrasonic treatment in N-Methyl-2-pyrrolidone, with Tafel slopes of 92 and 88?mV/dec for MoSSe and WSSe, respectively.

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
School of Natural Sciences, Tyumen State University, Tyumen 625003, Russia
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Giessen 35392, Germany
Federal Research Center "Krasnoyarsk Science Center, SB RAS", Krasnoyarsk 660036, Russia
National Research Center "Kurchatov Institute", P I. Kurchatova, 1, Moscow 123182, Russia
Center for Materials Technologies, Skolkovo Institute of Science and Technology, Moscow 121205, Russia
Institute of Fundamental Biology and Biotechnology, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Tyumen State University, Tyumen 625003, Russia
Lomonosov Moscow State University, Moscow 119991, Russia
Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, Moscow 119334, Russia
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Giessen 35392, Germany
Plekhanov Russian University of Economics, 36 Stremyanny per., Moscow 117997, Russia

Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Denisenko, Yu. G.; Azarapin, N. O.; Voronin, A. S.; Chernodubov, D. A.; Evlashin, S. A.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Nemtsev, I. V.; Немцев, Иван Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Glukhova, P. O.; Kuular, A. A.; Maslakov, K. I.; Sukhanova, E. V.; Muller-Buschbaum, K.; Popov, Z. I.