• 文献标题:   Edge effect on thermal transport in graphene nanoribbons: A phonon localization mechanism beyond edge roughness scattering
  • 文献类型:   Article
  • 作  者:   WANG Y, QIU B, RUAN XL
  • 作者关键词:   graphene, molecular dynamics method, nanoribbon, phonon spectra, thermal conductivity
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Purdue Univ
  • 被引频次:   61
  • DOI:   10.1063/1.4732155
  • 出版年:   2012

▎ 摘  要

Equilibrium molecular dynamics simulations show that graphene nanoribbons (GNRs) with zigzag edges have higher thermal conductivity (kappa) than armchair-edged ones, and the difference diminishes with increasing temperature or ribbon width. The dominant phonon wavelength for thermal transport can be much longer (by orders of magnitude) than the difference between the "roughness" of smooth zigzag and armchair edges. Therefore, the roughness scattering theory is not sufficient to explain the largely different kappa of GNRs with different edge chiralities. Cross-sectional decomposition of the steady-state heat flux shows significant suppression of thermal transport at edges, especially in armchair ones. This behavior is explored by phonon spectra analysis. Considerable phonon localization at edges is concluded to underlie the edge-chirality dependent kappa of GNRs. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4732155]