• 文献标题:   Effect of nanoscale defects on the thermal conductivity of graphene
  • 文献类型:   Article
  • 作  者:   ESFAHANI MN, JABBARI M, XU YB, SOUTIS C
  • 作者关键词:   graphene, thermal conductivity, pinhole, bilayer, molecular dynamic
  • 出版物名称:   MATERIALS TODAY COMMUNICATIONS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   13
  • DOI:   10.1016/j.mtcomm.2020.101856 EA MAR 2021
  • 出版年:   2021

▎ 摘  要

There are remarkable theoretical efforts geared towards understanding the impact of fabrication-induced defects on the operational behaviour of a single layer graphene. These studies have been focused mainly on atomic defects, while nanoscale pinholes and patches of two layers thick (bilayer) attached on a monolayer graphene are inevitable during the synthesis process. In this work the influence of these nanoscale defects on the graphene thermal conductivity is studied via non-equilibrium molecular dynamics simulations. The thermal conductivity of a single layer zigzag and armchair oriented graphene is modelled capturing the effect of voids and bilayer imperfections. A single layer graphene sheet with a size of 50 nm ? 10 nm is analysed having an elliptical defect of up to 6 nm (major axis). Our results exhibit a reduction of over 20% in thermal conductivity with increasing temperature and about 75% drop with increasing void size. The decrease in the thermal conductivity is 15% for the single layer graphene with a bilayer defect of 6 nm in diameter. This study demonstrates a dramatic influence of defect shape on the thermal conductivity of graphene, where defects with elliptical shapes demonstrate a higher thermal transfer in graphene compared to circular ones. This work provides a guideline of how to quantify the effect of fabrication induced defects on thermal conductivity of graphene.