• 文献标题:   Thermal conductivity of graphene ribbons from equilibrium molecular dynamics: Effect of ribbon width, edge roughness, and hydrogen termination
  • 文献类型:   Article
  • 作  者:   EVANS WJ, HU L, KEBLINSKI P
  • 作者关键词:   doping, graphene, hydrogen, molecular dynamics method, nanostructured material, phononimpurity interaction, surface roughnes, thermal conductivity
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   Rensselaer Polytech Inst
  • 被引频次:   257
  • DOI:   10.1063/1.3435465
  • 出版年:   2010

▎ 摘  要

We use equilibrium molecular dynamic simulations to compute thermal conductivity of graphene nanoribbons with smooth and rough edges. We also study effects of hydrogen termination. We find that conductivity is the highest for smooth edges and is essentially the same for zigzag and armchair edges. In the case of rough edges, the thermal conductivity is a strong function of the ribbon width indicating the important effect of phonon scattering from the edge. Hydrogen termination also reduces conductivity by a significant amount. (C) 2010 American Institute of Physics. [doi:10.1063/1.3435465]