Thermal transport in MoS2/Graphene hybrid nanosheets

TL;DR

This study uses molecular dynamics simulations to explore how heat moves through MoS2/Graphene hybrid nanosheets, revealing how various factors influence thermal conductivity and transport mechanisms.

Contribution

It provides new insights into controlling thermal transport in MoS2/Graphene heterojunctions through interlayer coupling and environmental conditions.

Findings

Thermal conductivity can be increased by over 5 times compared to single-layer MoS2.

Heat transport mechanisms vary with layer overlap and heating conditions.

Interlayer coupling significantly influences heat dissipation in hybrid nanosheets.

Abstract

Heat dissipation is a very critical problem for designing nano-functional devices, including MoS2/Graphene heterojunctions. In this paper we investigate thermal transport in MoS2/Graphene hybrid nanosheets under various heating conditions, by using molecular dynamics simulation. Diverse transport processes and characteristics, depending on the conducting layers, are found in these structures. The thermal conductivities can be tuned by interlayer coupling, environment temperature and interlayer overlap. The highest thermal conductivity at room temperature is achieved as more than 5 times of that of single layer MoS2 when both layers are heated and 100% overlapped. Different transport mechanisms in the hybrid nanosheets are explained by phonon density of states, temperature distribution, and ITR. Our results not only could provide clues to master the heat transport in functional devices based on MoS2/Graphene heterojunctions, but also are useful to analyze thermal transport in other van der Waals hybrid nanosheets.