Thermal Transport between Graphene Sheets and SiC Substrate by Molecular-Dynamical Calculation

摘要

Using nonequilibrium molecular dynamics, we investigate the mechanisms of thermal transport across SiC/graphene sheets. In simulations, 3C-, 4H-, and 6H-SiC are considered separately. Interfacial thermal resistances between Bernal stacking graphene sheets and SiC (Si- or C-terminated) are calculated at the ranges of 100 K~700 K. The results indicate, whether Si-terminated or C-terminated interface, the interfacial thermal resistances of 4H- and 6H-SiC have similar trends over temperatures. Si-terminated interfacial thermal resistances of 3C-SiC are higher than those of 4H- and 6H-SiC in a wide temperature range from 100 K to 600 K. But, for C-rich interface, this range is reduced from 350 K to 500 K.