First-principles study of heat transport properties of graphene nanoribbons.

  title={First-principles study of heat transport properties of graphene nanoribbons.},
  author={Zhen Wah Tan and Jian-Sheng Wang and Chee Kwan Gan},
  journal={Nano letters},
  volume={11 1},
We use density-functional theory and the nonequilibrium Green's function method as well as phonon dispersion calculations to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges, with and without hydrogen passivation. We find that low-frequency phonon bands of the zigzag ribbons are more dispersive than those of the armchair ribbons and that this difference accounts for the anisotropy in the thermal conductance of graphene nanoribbons. Comparing our results with… CONTINUE READING
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