MD-based design of bilayer graphene-hBN heterostructures: An insight into enhanced thermal transport. (April 2020)

• Record Type: Journal Article
• Authors: Momeni, Fatemeh; Mehrafrooz, Behzad; Montazeri, Abbas; Rajabpour, Ali
• Is Part Of: International journal of heat and mass transfer. Volume 150(2020)
• Publication Date: 2020-04
• Subjects: Van der Waals heterostuctures -- Nonequilibrium molecular dynamics -- Thermal conductivity -- Bilayer graphene-hBN; Heat -- Transmission -- Periodicals; Mass transfer -- Periodicals; Chaleur -- Transmission -- Périodiques; Transfert de masse -- Périodiques; Electronic journals; 621.4022
• DOI: 10.1016/j.ijheatmasstransfer.2019.119282
• Languages: English
• ISSNs: 0017-9310

Abstract

Highlights: Thermal transport in graphene-hBN heterostructures is studied using MD simulation. Influence of hBN layer on the heat transfer capability of graphene is examined. Addition of hBN layer enhances the heterostructure thermal conductivity up to 25%.% Effect of geometrical features of the hBN layer is systematically examined Results are applicable in design of newly developed nano-electronic devices. Abstract: 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 ~ 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.