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...

Full description

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

Internet

http://www.mdpi.com/2079-4991/8/7/552

Similar Items