• 文献标题:   Relative effect of edge versus basal plane functionalization on graphene/polymer interfacial thermal conductance - Role of in-plane phonons
  • 文献类型:   Article
  • 作  者:   GARG J
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Univ Oklahoma
  • 被引频次:   2
  • DOI:   10.1063/1.4977433
  • 出版年:   2017

▎ 摘  要

We compare the effectiveness of functionalization on the edge with that on the basal plane of graphene in enhancing interfacial thermal transport between polyethylene and graphene using an atomistic Green's function method. Harmonic interatomic force constants needed for the method are derived from the density-functional theory to provide a first-principles estimate of thermal conductance comparison. Computations reveal the thermal conductance for the edge functionalization to be 75% higher relative to the basal plane case at 300 K. Polarization specific transmission calculations are used to provide understanding of these differences. Published by AIP Publishing.