Heat conduction study across metal/graphene interface by molecular dynamics

Abstract

Thermal properties of different metal/graphene interfaces were analyzed by molecular dynamics (MD). Thermal interface conductance of three metal/graphene interfaces, Ni/graphene, Cu/graphene, and Au/graphene, was investigated from 200K to 500K. For Cu/single-layer graphene (SLG) and Ni/SLG interfaces, thermal interface conductance was independent of temperature. Thermal interface conductance was around 537 W/m 2 K for Ni/SLG interface, and around 465W/m 2 K for Cu/SLG interface. Thermal interface conductance increased from 236W/m 2 K to 265 W/m 2 K from 200K to 500K. It was found to be caused by interactions between graphene and different metal at metal/graphene interface. For thermal management of graphene devices, Ni could be better choices of metal thermal contacts with graphene.