Isotope Effect on the Thermal Conductivity of Graphene

The thermal conductivity (TC) of isolated graphene with different concentrations of isotope (C 13 ) is studied with equilibrium molecular dynamics method at 300 K. In the limit of pure C 12 or C 13 graphene, TC of graphene in zigzag and armchair directions are ~630 W/mK and ~1000W/mK, respectively. We find that the TC of graphene can be maximally reduced by ~80%, in both armchair and zigzag directions, when a random distribution of C 12 and C 13 is assumed at different doping concentrations. Therefore, our simulation results suggest an effective way to tune the TC of graphene without changing its atomic and electronic structure, thus yielding a promising application for nanoelectronics and thermoelectricity of graphene‐based nano device.