• 文献标题:   Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal-Insulator Transition
  • 文献类型:   Article
  • 作  者:   LECONTE N, MOSER J, ORDEJON P, TAO HH, LHERBIER A, BACHTOLD A, ALSINA F, TORRES CMS, CHARLIER JC, ROCHE S
  • 作者关键词:   disordered graphene, quantum transport, metalinsulator transition, ozone treatment, numerical simulation
  • 出版物名称:   ACS NANO
  • ISSN:   1936-0851 EI 1936-086X
  • 通讯作者地址:   ICREA
  • 被引频次:   99
  • DOI:   10.1021/nn100537z
  • 出版年:   2010

▎ 摘  要

We present a multiscale ab initio study of electronic and transport properties of two-dimensional graphene after epoxide functionalization via ozone treatment. The orbital rehybridization induced by the epoxide groups triggers a strong intervalley scattering and changes dramatically the conduction properties of graphene. By varying the coverage density of epoxide defects from 0.1 to 4%, charge conduction can be tuned from a diffusive to a strongly localized regime, with localization lengths down to a few nanometers long. Experimental results supporting the interpretation as a metal-insulator transition are also provided.