▎ 摘　　要

We perform a numerical evaluation on improving the thermal transfer at the Graphene/ZnO(Gra/ZnO) heterostructure interfaces with nonequilibrium molecular dynamics simulation. The findings demonstrate that the out-of-plane phonon density of states of Gra/ZnO contributes significantly to the heat transport at the interface, and that the overlapping vibration spectrum is mostly in the low-frequency region of 1-30thz. There is no thermal rectification effect at the Gra/ZnO interface, and its thermal conductance may be efficiently adjusted by temperature, size, defect, hydrogenation, and strain. It implies a detailed understanding for manipulating the interfacial thermal conductance (ITC) of Gra/ZnO heterostructure interfaces for implementing highly efficient thermal management in solar cell applications.