• 文献标题:   Anisotropic mechanical properties and Stone-Wales defects in graphene monolayer: A theoretical study
  • 文献类型:   Article
  • 作  者:   FAN BB, YANG XB, ZHANG R
  • 作者关键词:  
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Zhengzhou Inst Aeronaut Ind Management
  • 被引频次:   21
  • DOI:   10.1016/j.physleta.2010.04.066
  • 出版年:   2010

▎ 摘  要

We investigate the mechanical properties of graphene monolayer via the density functional theoretical (OFT) method. We find that the strain energies are anisotropic for the graphene under large strain. We attribute the anisotropic feature to the anisotropic sp(2) hybridization in the hexagonal lattice. We further identify that the formation energies of Stone-Wales (SW) defects in the graphene monolayer are determined by the defect concentration and also the direction of applied tensile strain, correlating with the anisotropic feature. (C) 2010 Elsevier B.V. All rights reserved.