Тип публикации: статья из журнала

Год издания: 2023

Идентификатор DOI: 10.1016/j.ijhydene.2022.12.286

Аннотация: The successful fabrication of H-phase Janus transition metal dichalcogenides (TMDs) has received considerable interest due to its great potential in photocatalytic applications. Here, new A′-XMoY (X/Y = O, S, Se, Te) Janus-type structures belonging to the family of TMDs were theoretically investigated for the first time in terms ofПоказать полностьюphotocatalytic water splitting via DFT calculations. For all compounds, the Raman spectra were calculated. The SMoO, SeMoO, SMoSe, SMoTe and SeMoTe compounds are dynamically stable and are semiconductors. Among all considered structures SMoTe is the most promising candidate for solar hydrogen production because valence and conduction bands perfectly engulf the redox potentials of water at both neutral and acidic media, opposite to SMoSe, SMoO, SeMoO suitable only in the acidic media, and SeMoTe – in the neutral media. Moreover, A′-SMoTe demonstrates the outstanding values of the solar-to-hydrogen (STH) conversion efficiencies of 54.0 and 67.1 for neutral and acidic media.

Журнал: International Journal of Hydrogen Energy

Выпуск журнала: Т. 48, № 38

Номера страниц: 14226-14237

ISSN журнала: 03603199

Издатель: Elsevier Science Publishing Company, Inc.

• Sukhanova E.V. (Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, 119334 Moscow, Russia)
• Sagatov N. (Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, prosp. acad. Koptyuga 3, 630090 Novosibirsk, Russia)
• Oreshonkov A.S. (School of Engineering and Construction, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Gavryushkin P.N. (Novosibirsk State University, Pirogova 2, 630090 Novosibirsk, Russia)
• Popov Z.I. (Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, 119334 Moscow, Russia)

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