• 文献标题:   Inducing extended line defects in graphene by linear adsorption of C and N atoms
  • 文献类型:   Article
  • 作  者:   LI Y, ZHANG RQ, LIN ZJ, VAN HOVE MA
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   City Univ Hong Kong
  • 被引频次:   5
  • DOI:   10.1063/1.4772212
  • 出版年:   2012

▎ 摘  要

We propose a possible approach for controlled formation of various 585 (containing pentagonal and octagonal carbon rings) extended line defects (ELDs) by linear adsorption of various kinds of atoms (C, N, B, O) on a graphene substrate, based upon density functional theory and molecular-dynamics (MD) simulations. We find out that the C and N atoms spontaneously transform to 585 ELDs while other elements find specific stable configurations. To confirm the feasibility of forming the ELD from line adsorption, investigation of the critical transformation conditions of the 585 ELD is involved based upon various adsorption models and adsorption densities. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772212]