2025/03/12 by Wenwu Jiang, Ting Liang, Jiang, Wenwu +7 · 1 citation
#cond-mat.mtrl-sci #cond-mat.mes-hall
paper · pdf · doi:10.48550/arxiv.2503.09141
Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moiré superlattices. This reconstruction redistributes interlayer stacking modes, reducing high-efficiency thermal transport regions and softening the transverse acoustic phonon modes as the twist angle increases. We propose a general theoretical expression to capture this behavior, validated against non-equilibrium molecular dynamics simulations across both homo- and heterogeneous twisted TMDs structures, as well as homogeneous twisted graphene and hexagonal boron nitride stacks. Our model demonstrates that the interfacial thermal conductance (ITC) scales with the twist angle (θ) as ln(ITC) ∝ e-√θ. These findings advance the understanding of twist-engineered interfacial thermal transport, offering design principles for optimizing thermal management in devices based on van der Waals layered materials.