Тип публикации: статья из журнала
Год издания: 2023
Идентификатор DOI: 10.3390/nano13020368
Аннотация: <jats:p>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 wiПоказать полностьюth 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.</jats:p>
Журнал: Nanomaterials
Выпуск журнала: Т. 13, № 2
Номера страниц: 368
ISSN журнала: 20794991
Издатель: MDPI AG