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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Autores principales: Pengsen Zhao, Guifa Li, Haizhong Zheng, Shiqiang Lu, Ping Peng
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/39d16059a1a8467da2c8c412947625ef
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