The purpose of this article is to provide a systematic evaluation to perform characteristics on the thermal conductivity and thermal rectification of H-terminated graphene nanoribbons (HGNRs) with Lpristine/LH-terminated = 1.

Using classical molecular dynamics simulation, we investigate the thermal transport properties of hole defect graphene nanoribbons (HD-GNRs) possing various doping concentration of nitrogen atoms. By changing the concentration of nitrogen atoms, we try to find an effective method to adjust the heat transfer of HD-GNRs. The results show that the existence of hole defect in graphene destroys the structural integrity of the GNRs, which causes great decrease in thermal conductivity. We detect that nitrogen doping is a very sensitive mode for hole defect graphene nanoribbons. The thermal conductivity of HD-GNRs can be greatly improved by decreasing the N doping concentration from 7 to 0.87 %.

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