• 文献标题:   Molecular Dynamics Simulation on Tensile Deformation of Graphene with Nanomeshes
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   SUN YJ, MA F, XU KW
  • 作者关键词:   graphene, nanomeshe, tensile deformation, molecular dynamic
  • 出版物名称:   INTEGRATED FERROELECTRICS
  • ISSN:   1058-4587 EI 1607-8489
  • 通讯作者地址:   Xi An Jiao Tong Univ
  • 被引频次:   3
  • DOI:   10.1080/10584587.2011.576611
  • 出版年:   2011

▎ 摘  要

Nanomeshes, introduced into the graphene sheet, are a very effective method to open up the band gap and thus to improve the electronic properties. In this paper, the deformation behaviors of graphene sheet with nanomeshes were simulated by Molecular Dynamics methods. It was found that the fracture stress and the corresponding strain depend on the radius of nanomeshes, which was further confirmed by analyzing the potential energy as well as radial distribution function. One intrinsic mechanism, based on the spatial configurations of carbon atoms, was suggested to reveal the distinct deformation behaviors. This will be helpful to design the next carbon-based materials in microelectronic devices.