Van der Waals (vdW) complexes, surfaces and interfaces are a current ‘hot-topic’ in surface science. Their importance for surfaces, layered structures and interfaces stems from weak interlayer binding which allows strain to be applied relatively easily, particularly when compared to more rigid covalently bound systems, and used to tune the behaviour and properties of the material. Most ab-initio studies of extended vdW systems focus on the geometric (layering) and electronic properties, including fundamental quantities like the work function. Far fewer investigations highlight the thermal properties of these layers, including in many cases even the most basic phonon characterization.
In this article the utility of dynamical studies of layered and interfacial vdW systems will be highlighted. The weak coupling between the layers of a vdW interface enables efficient coupling between modes; however, ‘veering’, the effects of the orientation of subsequent layers and strain engineering can limit the redistribution of vibrational energy. This article will discuss some case studies of these effects and discuss their limitations; in particular, examples involving graphene, black phosphorus and hBN will be included together with a discussion of systematic design strategies which have been currently seen to optimize thermal energy transfer in these materials.
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