• 文献标题:   The effect of high concentrations and orientations of Stone-Wales defects on the thermal conductivity of graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   EBRAHIMI S, AZIZI M
  • 作者关键词:   graphene nanoribbon, stonewale, thermal conductivity, molecular dynamics simulation
  • 出版物名称:   MOLECULAR SIMULATION
  • ISSN:   0892-7022 EI 1029-0435
  • 通讯作者地址:   Univ Kurdistan
  • 被引频次:   3
  • DOI:   10.1080/08927022.2017.1366654
  • 出版年:   2018

▎ 摘  要

The influence of the orientations and concentrations of the Stone-Wales (SW) defects on the thermal conductivity of zigzag and armchair graphene nanoribbons (GNRs) is explored using the reverse non-equilibrium molecular dynamics method. The results show that the thermal conductivity of GNRs with two different chirality cases reaches the minimum in the range of 0.1-0.7% defect concentration. Beyond a critical value of the SW defect concentration, the thermal conductivity increases with the increase in SW concentration for both zigzag and armchair GNRs. It is shown that at high concentrations of the SW defects, the thermal conductivity of zigzag GNRs with Type II defects is larger than the GNRs with Type I defects. Finally, the dependence of the SW defect concentration and orientation on the power spectra overlaps have also been explored.