• 文献标题:   First-Principles Study of Heat Transport Properties of Graphene Nanoribbons
  • 文献类型:   Article
  • 作  者:   TAN ZW, WANG JS, GAN CK
  • 作者关键词:   graphene nanoribbon, thermal transport, nonequilibrium green s function, phonon dispersion
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Inst High Performance Comp
  • 被引频次:   90
  • DOI:   10.1021/nl103508m
  • 出版年:   2011

▎ 摘  要

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 data on large-area graphene, edge effects are shown to contribute to thermal conductance, enhance the anisotropy in thermal conductance of graphene nanoribbons, and increase thermal conductance per unit width. The edges with and without hydrogen passivation modify the atomic structure and ultimately influence the phonon thermal transport differently for the two ribbon types.