First-Principle Insight Into the Effects of Oxygen Vacancies on the Electronic, Photocatalytic, and Optical Properties of Monoclinic BiVO(4)(001)

In this paper, first-principle calculations were performed to investigate the effects of oxygen (O) vacancies (Ovac) on the crystal structure, electronic distribution, adsorption energies of O(2) and H(2)O and the density of states (DOS) of monoclinic bismuth vanadate (m-BiVO(4)). Ovac were stable w...

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Detalles Bibliográficos
Autores principales: Gu, Xiaosong, Luo, Yujie, Li, Qi, Wang, Rui, Fu, Shiqi, Lv, Xiulong, He, Qian, Zhang, Ying, Yan, Qiutong, Xu, Xuan, Ji, Fangying, Qiu, Yan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7758495/
https://www.ncbi.nlm.nih.gov/pubmed/33363112
http://dx.doi.org/10.3389/fchem.2020.601983

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