Electronic and Magnetic Properties of Stone–Wales Defected Graphene Decorated with the Half-Metallocene of M (M = Fe, Co, Ni): A First Principle Study
The geometrical, electronic structure, and magnetic properties of the half-metallocene of M (M = Fe, Co, Ni) adsorbed on Stone–Wales defected graphene (SWG) were studied using the density functional theory (DFT), aiming to tune the band structure of SWG. The introduction of cyclopentadieny...
Main Authors: | Kefeng Xie, Qiangqiang Jia, Xiangtai Zhang, Li Fu, Guohu Zhao |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-07-01
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Series: | Nanomaterials |
Subjects: | |
Online Access: | http://www.mdpi.com/2079-4991/8/7/552 |
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