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Insight into the surface activity of defect structure in α-MnO(2) nanorod: first-principles research

The contribution of defect structure to the catalytic property of α-MnO(2) 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, electrosta...

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Detalles Bibliográficos
Autores principales:	Zhao, Pengsen, Li, Guifa, Zheng, Haizhong, Lu, Shiqiang, Peng, Ping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7910284/ https://www.ncbi.nlm.nih.gov/pubmed/33637788 http://dx.doi.org/10.1038/s41598-021-83861-2

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