• 文献标题:   Electronic and magnetic properties of C-adsorbed graphene: a first-principles study
  • 文献类型:   Article
  • 作  者:   ZHOU YG, WANG ZG, YANG P, ZU XT, XIAO HY, SUN X, KHALEEL MA, GAO F
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076
  • 通讯作者地址:   Univ Elect Sci Technol China
  • 被引频次:   10
  • DOI:   10.1039/c1cp20482c
  • 出版年:   2011

▎ 摘  要

Using density functional theory, we consider the adsorption of C on graphene, which gives rise to many interesting phenomena. A single-C at the bridge site shows a clearly covalent-bond feature with graphene, in which the metallic state occurs and a magnetic moment of 0.36 mu(B) was determined. For both-sided adsorption, the magnetic moment is remarkably larger than that in one-sided adsorption, and increases with concentration up to a coverage of 12.5%. High spin polarization obtained at the Fermi level indicates a high degree of passage of preferred spin, which is important for developing spin filters.