• 文献标题:   Non equilibrium molecular dynamics simulation study of thermal conductivity in doped graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   KIPPER AC, DA SILVA LB
  • 作者关键词:   thermal conductivity, graphene nanoribbon
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Univ Fed Santa Maria
  • 被引频次:   2
  • DOI:   10.1016/j.physb.2018.12.026
  • 出版年:   2019

▎ 摘  要

Thermal conductivity of graphene nanoribbons modified by atomic substitution is studied by molecular dynamics simulations. The substitutional doping by nitrogen, boron or silicon results in a non-linear decrease of thermal conductivity (kappa) as the dopant concentration (eta) is increased, suggesting a saturation in kappa when a certain value of eta is reached. Beyond dopant concentration, the overall profile of ( )kappa shows a strong dependence on edge chirality and the atomic mass of the substitutional atom.