Thermal boundary conductance of the MOS2-SiO2 interface

Abstract

We investigate heat conduction across the interface of a monolayer semiconductor and its supporting substrate using molecular dynamics (MD) simulations. For the first time, we show that for the interface between MoS2 and SiO2, thermal boundary conductance (TBC) is 15.5 ± 1.5 MWK⁻¹m⁻². The TBC is found to increase proportionally with the strength of the van der Waals interactions and is largely independent of temperature between 200 and 400 K. We also find that bi- and tri-layer MoS2 on SiO2 have somewhat higher TBC compared to single-layer MoS2 on SiO2. We compare the TBC simulation results with experimental data from Raman thermometry, finding close agreement between simulation and experiments.