• 文献标题:   Charge- and thickness-dependent inplane deformation of multilayer graphene thin films
  • 文献类型:   Article
  • 作  者:   SUN S, ZHANG TY
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Shanghai Univ
  • 被引频次:   2
  • DOI:   10.1039/c5cp06973d
  • 出版年:   2016

▎ 摘  要

The charge-and thickness-dependent inplane deformation of multilayer graphene thin films in an electrolyte was studied by joint first-principles/continuum calculations (JFPCC) and the surface eigenstress model. At thermodynamic equilibrium, a multilayer graphene film exhibits initial deformation, which is asymmetric with respect to negative and positive charges, and the thickness-dependent minimal inplane C-C bond length occurs at the same positive charge of about 0.0381 x 10(20) vertical bar e vertical bar m(-2) for all studied films. The surface eigenstress model was further developed to take the charge-induced deformation into account, which yields analytical formulas. The analytical formulas describe the JFPCC results well for multilayer graphene thin films with a layer number larger than two, and are powerful and user friendly for understanding the charge and thickness dependent deformation in atomistic calculations and sophisticated experiments with multilayer graphene thin films.