Electronic and Magnetic Properties of Stone–Wales Defected Graphene Decorated with the Half-Metallocene of M (M = Fe, Co, Ni): A First Principle Study

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...

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Bibliographic Details
Main Authors: Kefeng Xie, Qiangqiang Jia, Xiangtai Zhang, Li Fu, Guohu Zhao
Format: Article
Language:English
Published: MDPI AG 2018-07-01
Series:Nanomaterials
Subjects:
Stone–Wales defected graphene
half-metallocene
adsorption energy
density of states
and magnetic property
Online Access:http://www.mdpi.com/2079-4991/8/7/552

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