• 文献标题:   Magnetic properties of double-side partially fluorinated graphene from first principles calculations
  • 文献类型:   Article
  • 作  者:   ZHENG YP, WAN XG, TANG NJ, FENG Q, LIU FC, DU YW
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Nanjing Univ
  • 被引频次:   19
  • DOI:   10.1016/j.carbon.2015.03.059
  • 出版年:   2015

▎ 摘  要

Density functional theory calculations were used to study the structural, electronic, and magnetic properties of double-side partially fluorinated graphene. Both even and uneven fluorinated structures examined. It is found that midgap states and magnetic moments only appear in the uneven double-side fluorinated graphene. The magnetic moments mainly come from the carbon atoms at the edge of the fluorinated region in unevenly double-side fluorinated graphene. The dependence of magnetic moments on external tensile strain was also examined, which shows that the induced magnetic moments can be significantly increased by increasing the tensile strain. (C) 2015 Elsevier Ltd. All rights reserved.