First-Principles Electronic-Structure Study of Graphene Decorated with 4<i>d</i>-Transition Atoms

First-Principles Electronic-Structure Study of Graphene Decorated with 4<i>d</i>-Transition Atoms

Adsorption configurations, electronic structures and net spins of graphene adsorbing 4<i>d</i> transition atoms are calculated by first-principles calculations to explore the magnetic modification of decorating metal atoms on graphene. Y, Zr and Nb atoms can be adsorbed on graphene sheet...

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Bibliographic Details
Main Authors: Ran Hu, Wei-Chao Zhang, Wei-Feng Sun
Format: Article
Language:English
Published: MDPI AG 2020-12-01
Series:Crystals
Subjects:
graphene
transition metal
adsorption configuration
first-principles calculation
Online Access:https://www.mdpi.com/2073-4352/11/1/29

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