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Effects of Mono-Vacancies of Oxygen and Manganese on the Properties of the MnO(2)/Graphene Heterostructure
The effects of the monovacancies of oxygen (V(O)) and manganese (V(Mn)) on the structural and electronic properties of the 1T–MnO(2)/graphene heterostructure are investigated, within the framework of density functional theory (DFT). We found that the values of the formation energy for the heterostru...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032963/ https://www.ncbi.nlm.nih.gov/pubmed/35454425 http://dx.doi.org/10.3390/ma15082731 |