Nanoscience and Nanotechnology | Open Access Articles

Heat dissipation in next-generation electronics based on two-dimensional (2D) materials is a

critical issue in their development and implementation. A potential bottleneck for heat removal in

2D-based devices is the thermal pathway from the 2D layer into its supporting substrate. The choice

of substrate, its composition and structure, can strongly impact the thermal boundary conductance

(TBC). Here we investigate the temperature-dependent TBC of 42 interfaces formed between a

group of six 2D materials and seven crystalline and amorphous substrates. We use first-principles

density functional perturbation theory to calculate the full phonon dispersion of the 2D layers and

substrates and then …

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