• 文献标题:   A molecular dynamics simulation study on thermal conductivity of functionalized bilayer graphene sheet
  • 文献类型:   Article
  • 作  者:   ZHANG YY, PEI QX, HE XQ, MAI YW
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Univ Western Sydney
  • 被引频次:   19
  • DOI:   10.1016/j.cplett.2015.01.034
  • 出版年:   2015

▎ 摘  要

We investigate the thermal conductivity of chemically functionalized bilayer graphene sheet by using molecular dynamics simulations, focusing on the effects of different functional groups and tensile strain. Our simulation results show that chemical functionalization leads to the reduction in the thermal conductivity of bilayer graphene sheet and the reduction is proportional to the coverage of functional groups. Unlike the pristine graphene sheet, the tensile strain can enhance the thermal conductivity of functionalized bilayer graphene sheet. The underlying mechanisms for the thermal conductivity change are elaborated via the vibrational density of states of the graphene sheets. (c) 2015 Elsevier B.V. All rights reserved.