• 文献标题:   Elastic bending modulus of monolayer graphene
  • 文献类型:   Article
  • 作  者:   LU Q, ARROYO M, HUANG R
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICS DAPPLIED PHYSICS
  • ISSN:   0022-3727 EI 1361-6463
  • 通讯作者地址:   Univ Texas Austin
  • 被引频次:   242
  • DOI:   10.1088/0022-3727/42/10/102002
  • 出版年:   2009

▎ 摘  要

An analytic formula is derived for the elastic bending modulus of monolayer graphene based on an empirical potential for solid-state carbon atoms. Two physical origins are identified for the non-vanishing bending stiffness of the atomically thin graphene sheet, one due to the bond-angle effect and the other resulting from the bond-order term associated with the dihedral angles. The analytical prediction compares closely with ab initio energy calculations. Pure bending of graphene monolayers into cylindrical tubes is simulated by a molecular mechanics approach, showing slight nonlinearity and anisotropy in the tangent bending modulus as the bending curvature increases. An intrinsic coupling between bending and in-plane strain is noted for graphene monolayers rolled into carbon nanotubes.