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A First-Principle Study of Interactions between Magnesium and Metal-Atom-Doped Graphene

In this study, the interactions of magnesium (Mg) atom and Mg(001) surface with different metal-atom-doped graphene were investigated using a density functional theory (DFT) method. For the interactions of magnesium with Al-, Mn-, Zn-, and Zr-doped and intrinsic graphene, it was found that the magne...

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Detalles Bibliográficos
Autores principales:	Li, Yaoming, Pei, Xin, Zhang, Huang, Yuan, Meini
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8912358/ https://www.ncbi.nlm.nih.gov/pubmed/35269322 http://dx.doi.org/10.3390/nano12050834

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