• 文献标题:   Self-passivating edge reconstructions of graphene
  • 文献类型:   Article
  • 作  者:   KOSKINEN P, MALOLA S, HAKKINEN H
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007
  • 通讯作者地址:   Univ Jyvaskyla
  • 被引频次:   475
  • DOI:   10.1103/PhysRevLett.101.115502
  • 出版年:   2008

▎ 摘  要

Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density-functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place at room temperature. The reconstruction changes electronic structure and self-passivates the edge with respect to adsorption of atomic hydrogen from a molecular atmosphere.