Roles of Oxygen Vacancies in NiMoO4: A First-Principles Study

Oxygen vacancy has been suggested to play a role in the electrochemical ability of NiMoO4. The band structure and density of state of NiMoO4 bulks with different concentrations of oxygen vacancy were investigated by the first-principles calculation. Original NiMoO4 shows semiconductive properties wi...

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Autores principales: Yuanbing Wen, Pengcheng Wang, Xinying Ding, Xiaobo Feng, Chen Qing
Formato: article
Lenguaje:EN
Publicado: Frontiers Media S.A. 2021
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Acceso en línea:https://doaj.org/article/54f3567c9b4f46dbb672efdca4491cff
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