• 文献标题:   Doping of graphene adsorbed on the a-SiO2 surface
  • 文献类型:   Article
  • 作  者:   MIWA RH, SCHMIDT TM, SCOPEL WL, FAZZIO A
  • 作者关键词:   ab initio calculation, adsorption, amorphous state, charge transfer state, density functional theory, doping, graphene, interface state, silicon compound, surface structure, van der waals force
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Univ Fed Uberlandia
  • 被引频次:   36
  • DOI:   10.1063/1.3653261
  • 出版年:   2011

▎ 摘  要

We have performed an ab initio theoretical investigation of a graphene sheet adsorbed on amorphous SiO2 surface (G/a-SiO2).We find that graphene adsorbs on the a-SiO2 surface through van der Waals interactions. The inhomogeneous topology of the a-SiO2 clean surface promotes a total charge density displacement on the adsorbed graphene sheet, giving rise to electron-rich as well as hole-rich regions on the graphene. Furthermore, the adsorbed graphene sheet exhibits a net total charge density gain. In this case, the graphene sheet becomes n-type doped, however, no chemical bonds form at the graphene-SiO2 interface. The electronic charge transfer from a-SiO2 to the graphene sheet occurs upon the formation of a partially occupied level lying above the Dirac point. We find that this partially occupied level comes from the three-fold coordinated oxygen atoms in the a-SiO2 substrate. (C) 2011 American Institute of Physics. [doi:10.1063/1.3653261]