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DOAJ Open Access 2023

Halogen-Doped Chevrel Phase Janus Monolayers for Photocatalytic Water Splitting

Ekaterina V. Sukhanova Nursultan E. Sagatov Aleksandr S. Oreshonkov Pavel N. Gavryushkin Zakhar I. Popov
Lihat Sumber DOI

Abstrak

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 (Mo<sub>6</sub>X<sub>8</sub>) 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 S<sub>2</sub>Mo<sub>3</sub>I<sub>2</sub> 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.

Topik & Kata Kunci

Chemistry

Penulis (5)

E

Ekaterina V. Sukhanova

N

Nursultan E. Sagatov

A

Aleksandr S. Oreshonkov

P

Pavel N. Gavryushkin

Z

Zakhar I. Popov

Format Sitasi

APA MLA BibTeX
Sukhanova, E.V., Sagatov, N.E., Oreshonkov, A.S., Gavryushkin, P.N., Popov, Z.I. (2023). Halogen-Doped Chevrel Phase Janus Monolayers for Photocatalytic Water Splitting. https://doi.org/10.3390/nano13020368

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Informasi Jurnal
Tahun Terbit
2023
Sumber Database
DOAJ
DOI
10.3390/nano13020368
Akses
Open Access ✓