• 文献标题:   Mechanical properties and thermal conductivity of the twisted graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   SHEN HJ
  • 作者关键词:   gnr, molecular dynamic, torsional propertie, thermal conductivity
  • 出版物名称:   MOLECULAR PHYSICS
  • ISSN:   0026-8976 EI 1362-3028
  • 通讯作者地址:   Tongji Univ
  • 被引频次:   8
  • DOI:   10.1080/00268976.2014.899404
  • 出版年:   2014

▎ 摘  要

Molecular dynamics method was used to simulate the twists of four GNRs (graphene nanoribbons), two AGNRs (armchair GNRs), and two ZGNRs (zigzag GNRs). Thermal conductivity of the length-fixing GNRs under torsion and at high temperature was calculated. It is found that the ZGNRs have better torsional rigidity than the AGNRs; under the torsional deformation of 34.2 degrees/nm local buckling occurs in the length-fixing GNRs, and under the deformation of 22.8 degrees/nm overall buckling occurs in the ones with free-length. In the range of investigated twist-angle and temperature, the thermal conductivity of the length-fixing GNRs decreases with the increase of torsional deformation and temperature. The wider GNRs have better anti-torsion capability and thermal conductivity.