Inter-layer and Intra-layer Heat Transfer in Bilayer/Monolayer Graphene van der Waals Heterostructure: Is There a Kapitza Resistance Analogous?

摘要

Van der Waals heterostructures have exhibited interesting physicalproperties. In this paper, heat transfer in hybrid coplanar bilayer/monolayer(BL-ML) graphene, as a model layered van der Waals heterostructure, was studiedusing non-equilibrium molecular dynamics (MD) simulations. Temperature profileand inter- and intra-layer heat fluxes of the BL-ML graphene indicated that,there is no fully developed thermal equilibrium between layers and the drop inaverage temperature profile at the step-like BL-ML interface is notattributable to the effect of Kapitza resistance. By increasing the length ofthe system up to 1 $\mu$m in the studied MD simulations, the thermallynon-equilibrium region was reduced to a small area near the step-likeinterface. All MD results were compared to a continuum model and a good matchwas observed between the two approaches. Our results provide a usefulunderstanding of heat transfer in nano- and micro-scale layered 2D materialsand van der Waals heterostructures.