• 文献标题:   Lithium-Mediated Benzene Adsorption on Graphene and Graphene Nanoribbons
  • 文献类型:   Article
  • 作  者:   KREPEL D, HOD O
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:   Tel Aviv Univ
  • 被引频次:   16
  • DOI:   10.1021/jp4057412
  • 出版年:   2013

▎ 摘  要

The anchoring of benzene molecules on lithium adsorption sites at the surface of graphene and nanoribbons thereof are investigated. The effects of adsorbate densities, specific adsorption locations, and spin states on the structural stability and electronic properties of the underlying graphene derivatives are revealed. At sufficiently high densities, bare lithium adsorption turns armchair graphene nanoribbons metallic and their zigzag counterparts half-metallic due to charge transfer from the adatom to the pi electronic system. Upon benzene adsorption, the lithium cation encounters two pi systems, thus drawing charge back toward the benzene molecule. This, in turn, leads to the opening of a measurable bandgap, whose size and character are sensitive to the adsorbate density, thus indicating that a chemical detector based on lithium-adsorbed graphene may be devised. Our results are therefore expected to support the design of novel graphene-based sensing and switching devices.