Thermal conductivity and thermal rectification in H-terminated graphene nanoribbons

Abstract

The purpose of this article is to provide a systematic evaluation to examine characteristics of the thermal conductivity and thermal rectification of H-terminated graphene nanoribbons (HGNRs) with L_pristine/L_H-terminated = 1. The results show that HGNR thermal conductivities increase in both directions across the entire temperature range tested. Simultaneously, thermal rectification of HGNRs at various temperatures is detected. We found that with increasing temperature the thermal rectification has a gradual decreasing tendency. Furthermore, the overlap of power spectra was calculated to elucidate the underlying mechanism of thermal rectification. This work indicates a possible route to achieve thermal rectification for 2D materials by hydrogenation engineering.