• 文献标题:   Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation
  • 文献类型:   Article
  • 作  者:   AHMAD S, MIRO P, AUDIFFRED M, HEINE T
  • 作者关键词:   deposition, intercalation, graphene, density functional theory
  • 出版物名称:   SOLID STATE COMMUNICATIONS
  • ISSN:   0038-1098 EI 1879-2766
  • 通讯作者地址:   King Khalid Univ
  • 被引频次:   0
  • DOI:   10.1016/j.ssc.2018.01.002
  • 出版年:   2018

▎ 摘  要

The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono-and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of Mthorn-C-pairs. The cointercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.