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

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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Bibliographic Details
Main Authors: Yaoming Li, Xin Pei, Huang Zhang, Meini Yuan
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Nanomaterials
Subjects:
density functional theory
doped graphene
magnesium
interactions
interface
graphene/Mg(001)
Online Access:https://www.mdpi.com/2079-4991/12/5/834

Internet

https://www.mdpi.com/2079-4991/12/5/834

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