• 文献标题:   Geometric and magnetic properties of Co adatom decorated nitrogen-doped graphene
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   LEE S, LEE M, CHUNG YC
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   Hanyang Univ
  • 被引频次:   8
  • DOI:   10.1063/1.4794359
  • 出版年:   2013

▎ 摘  要

The potential for nitrogen doped graphene with dispersed Co metal atoms as a candidate material for future spintronic applications was studied using first-principles calculations. Among the three types of defective structures, the pyridinic and pyrrolic systems were demonstrated to be structurally stable since the binding energy between the Co adatom and these substrate layers exceeded the cohesive energy of Co metal alone. Also, Co adatom on these two structures showed high magnetic moment values, which surpassed that of the Co metal bulk. From these results, it is shown that the pyridinic and pyrrolic N defects on graphene have a positive effect on the geometric stability and magnetic property of decorated Co atoms. (C) 2013 American Institute of Physics.