• 文献标题:   Thermal conductivity enhancement of defective graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   YANG B, LI DB, YANG HY, WANG JP, YANG P
  • 作者关键词:   graphene nanoribbon, doping, grain boundary, stonewales defect, heat transfer, molecular dynamic
  • 出版物名称:   INTERNATIONAL COMMUNICATIONS IN HEAT MASS TRANSFER
  • ISSN:   0735-1933 EI 1879-0178
  • 通讯作者地址:   Jiangsu Univ
  • 被引频次:   0
  • DOI:   10.1016/j.icheatmasstransfer.2020.104735
  • 出版年:   2020

▎ 摘  要

We study the heat transfer of graphene nanoribbons (GNRs) with different doped atoms (N, Si) and grain boundaries using non-equilibrium molecular dynamics and thermal relaxation method. It is found that even at low doping concentrations, with the increase of doping concentrations, the thermal conductivities of GNRs decrease greatly, and the thermal resistances of grain boundaries increase drastically. In addition, the mass difference between nitrogen and silicon atoms results in the difference in heat transfer. Further, we investigate the effect of the relative positions of nitrogen atoms and Stone-Wales (SW) defects on the thermal conductivity. We find that the thermal conductivity of GNR with doping atoms close to defects is higher than the thermal conductivity of GNR with doping atoms far away from defects, and when the dopant atoms are located in the heat flow path and close to more defects, it is better for heat transfer. Finally, it is found that the doping atoms can enhance the thermal conductivity when they are close to the heat source and heat sink, maybe this is the fact that doping atoms can inhibit phonon scattering in the heat source and heat sink.