Numerical investigation on thermal conductivity and thermal rectification in graphene through nitrogen-doping engineering

The aim of this article is to provide a systematic evaluation to perform characteristics on the thermal conductivity and thermal rectification of nitrogen-doped graphene (NDG). Two different structural models about nitrogen-doped graphene (NDG) are constructed by considering nitrogen atomic arrangement. It indicates that thermal conductivity of the graphene decreases because of N-doping and different doped configurations. Thermal rectification of the triangular single-nitrogen-doped graphene (SNDG) decreases with an increasing temperature. However, thermal rectification of the parallel various-nitrogen-doped graphene (VNDG) remains unchanged. The phenomenon of thermal rectification exits in SNDG. It implies that the SNDG might be a potential promising structure for thermal rectifier by controlling the nitrogen-doped model.