MD-based design of bilayer graphene-hBN heterostructures: An insight into enhanced thermal transport

The effective thermal properties, such as thermal conductivity, are of the most importance to explore the viability of using graphene-hBN van der Waals heterostuctures in nanoelectronic systems. Here, the thermal transport in hBN-graphene heterostructures has been investigated utilizing nonequilibrium molecular dynamics simulations. We observed that following the addition of hBN layer to the graphene, the thermal conductivity showed a rise up to similar to 25%. Moreover, to gain further insight into the role of shape and geometry of the hBN layer on the thermal conductivity of the heterostructure, five different arrangement patterns have also been taken into account. It was revealed that the ratio of hBN to graphene layer plays a more impressive role compared to the geometrical characteristics of the hBN layer. (C) 2020 Elsevier Ltd. All rights reserved.