Mechanism for hydrogen evolution from water splitting based on a MoS(2)/WSe(2) heterojunction photocatalyst: a first-principle study

In this study, density functional theory and hybrid functional theory are used to calculate the work function and energy band structure of MoS(2) and WSe(2), as well as the binding energy, work function, energy band structure, density of states, charge density difference, energy band alignment, Bade...

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Detalles Bibliográficos
Autores principales: Wang, Yazhou, Liu, Tong, Tian, Weizhi, Zhang, Ying, Shan, Pengyue, Chen, Yunjian, Wei, Wanhang, Yuan, Hongkuan, Cui, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9057806/
https://www.ncbi.nlm.nih.gov/pubmed/35519202
http://dx.doi.org/10.1039/d0ra06939f

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