Insight into the surface activity of defect structure in α-MnO2 nanorod: first-principles research

Abstract The contribution of defect structure to the catalytic property of α-MnO2 nanorod still keeps mysterious right now. Using microfacet models representing defect structure and bulk models with high Miller index, several parameters, such as cohesive energy, surface energy, density of state, ele...

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Auteurs principaux: Pengsen Zhao, Guifa Li, Haizhong Zheng, Shiqiang Lu, Ping Peng
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/39d16059a1a8467da2c8c412947625ef
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