▎ 摘　　要

The thermal transport performance and thermal rectification characteristics of graphene/MoS2 heterointerface (G/M) are comprehensively studied in this paper. The influence of three different types of vacancy defects on thermal conductance is simulated using Molecular Dynamics method. We find that the single C-vacancy defects greatly enhance the interfacial thermal conductance (G) by 90% at the defect concentration of 5%, resulting from the enhanced interface coupling strength. We also find the temperature plays an important role in G. The interfacial thermal conductance of pristine G/M heterointerface increases of by 80% from 300 K to 700 K. In addition, an increase in both temperature and single C-vacancy defects concentration result in enhanced G/M thermal rectifier effect, and the thermal rectification ratio (TR) can reach 8% because of the superior interface coupling of M/G over G/M. It provides theoretical support for the application of graphene/MoS2 heterojunctions in heat rectifier devices.