• 文献标题:   Electronic States at the Zigzag Edges of Graphene Terraces
  • 文献类型:   Article
  • 作  者:   ALATTAS M, SCHWINGENSCHLOGL U
  • 作者关键词:   electronic state, graphene multilayer, termination, terrace edge
  • 出版物名称:   PHYSICA STATUS SOLIDIRAPID RESEARCH LETTERS
  • ISSN:   1862-6254 EI 1862-6270
  • 通讯作者地址:   KAUST
  • 被引频次:   0
  • DOI:   10.1002/pssr.201900513 EA OCT 2019
  • 出版年:   2019

▎ 摘  要

Density functional theory is used to study the electronic states at the zigzag edges of graphene terraces, considering bare edges and H, F, Cl, NH2 terminations. In contrast to the H and F terminations, periodic structural reconstructions are observed for the Cl and NH2 terminations due to interaction between the terminating atoms/groups. It is shown that the Cl termination of the edges leads to p-doping of the terraces, whereas NH2 termination results in n-doping.