Interface thermal resistance and thermal rectification in hybrid graphene-graphane nanoribbons: A nonequilibrium molecular dynamics study

Abstract

The thermal conductivity of hybrid graphene-graphane nanoribbons (GGNRs) have been investigated using nonequilibrium molecular dynamics simulations. The interface between graphene and graphane leads to a Kapitza resistance with strongly dependence on the imposed heat flux direction. We introduce GGNRs as promising thermal rectifiers at room temperature. By calculating phonon spectra, underlying mechanisms were investigated.