Carbon isotope doping induced interfacial thermal resistance and thermal rectification in graphene

We investigate the thermal transport properties of carbon isotope doped graphene using nonequilibrium molecular dynamics simulations. We find that the interfacial thermal resistance between graphene and the isotope atoms causes severe reduction in thermal conductivity of the doped graphene. Furthermore, we find that thermal rectification occurs in the interface. Tensile strain leads to an increase in the interfacial thermal resistance and thermal rectification, while increasing temperature decreases these parameters. We calculate the phonon spectra and find that the thermal rectification is associated with the overlap areas in the phonon spectra.