Temperature and interlayer coupling induced thermal transport across graphene/2D-SiC van der Waals heterostructure

MS Islam and I Mia and ASMJ Islam and C Stampfl and J Park, SCIENTIFIC REPORTS, 12, 761 (2022).

DOI: 10.1038/s41598-021-04740-4

Graphene based two-dimensional (2D) van der Waals (vdW) materials have attracted enormous attention because of their extraordinary physical properties. In this study, we explore the temperature and interlayer coupling induced thermal transport across the graphene/2D-SiC vdW interface using non-equilibrium molecular dynamics and transient pump probe methods. We find that the in-plane thermal conductivity kappa deviates slightly from the 1/T law at high temperatures. A tunable kappa is found with the variation of the interlayer coupling strength chi. The interlayer thermal resistance R across graphene/2D-SiC interface reaches 2.71 x 10(-7) Km(2)/W at room temperature and chi = 1, and it reduces steadily with the elevation of system temperature and chi, demonstrating around 41% and 56% reduction with increasing temperature to 700 K and a chi of 25, respectively. We also elucidate the heat transport mechanism by estimating the in-plane and out-of-plane phonon modes. Higher phonon propagation possibility and Umklapp scattering across the interface at high temperatures and increased chi lead to the significant reduction of R. This work unveils the mechanism of heat transfer and interface thermal conductance engineering across the graphene/2D-SiC vdW heterostructure.

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