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

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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3622480]