Thermal transport enhancement resolution for graphene/Si and graphene/SiC interfaces

Interfacial thermal transport property between graphene and semiconductor is an important factor affecting heat dissipation of graphene based semiconductor devices. Here, we investigate thermal transport across graphene/Si and graphene/SiC interfaces using reverse non-equilibrium molecular dynamics simulations, and phonon vibrational density of states are calculated to reveal the mechanism of enhancement of interfacial thermal conductance. Results show that for van der Waals bonded interfaces, the interfacial thermal conductance between graphene and Si is obviously higher, while for covalently bonded interfaces, the interfacial thermal conductance between graphene and SiC is higher. Different to the graphene/SiC interface, interfacial thermal conductances of graphene/Si interfaces can benefit from the increasing temperature, which is because the phonon matching between graphene and Si as well as the interfacial phonon inelastic scattering are improved under higher temperatures. The results are excepted to help promote the understanding of interfacial thermal transport between graphene and semiconductors and provide theoretical basis for the design and modification of related interfaces in graphene based semiconductor devices.