• 文献标题:   Characterizing phonon thermal conduction in polycrystalline graphene
  • 文献类型:   Article
  • 作  者:   WANG YL, SONG ZG, XU ZP
  • 作者关键词:   grain boundarie, thermal conductivity, polycrystalline graphene
  • 出版物名称:   JOURNAL OF MATERIALS RESEARCH
  • ISSN:   0884-2914 EI 2044-5326
  • 通讯作者地址:   Tsinghua Univ
  • 被引频次:   32
  • DOI:   10.1557/jmr.2013.380
  • 出版年:   2014

▎ 摘  要

Phonon thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity kappa of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal patch model in close consistency with microstructural characterization in experiments. The effects of grain size, alignment, and temperature were identified with discussion on the microscopic phonon scattering mechanisms. The effective thermal conductivity was found to increase with the grain size and decrease with the mismatch angle and dislocation density at the grain boundaries (GBs). The similar to T (-1) temperature dependence of kappa is significantly weakened in the polycrystals. The effect of GBs in modifying thermal transport properties of graphene was characterized by their effective width and thermal conductivity as an individual phase, which was later included in a predictive effective medium model that showed degraded reduction in thermal conductivity for grains larger than a few micrometers.