Thermal transport in van der Waals graphene/boron-nitride structure: a molecular dynamics study

Abstract

Among the van der Waals heterostructures, graphene/h-BN heterostructure is an appropriate candidate for 2D nanoelectronic devices. In this paper, using non-equilibrium molecular dynamics simulation approach, heat transport in bilayer graphene/h-BN and graphene/h-BN van der Waals heterostructure (i.e. h-BN flakes periodically inserted on the top and bottom of a graphene layer) are explored. The results show that by increasing the length of the system, the thermal conductivity of bilayer graphene/h-BN increases. Furthermore, it was revealed that heat transport in graphene/h-BN heterostructure enhances compared to that in monolayer graphene or monolayer h-BN. The size effect analysis shows that the heat fluxes passing through each layer in bilayer graphene/h-BN converges when the size of the system is larger than 100 nm. The results can improve the understanding heat transfer phenomena in the van der Waals heterostructures and improve designing of heterostructures for better thermal management and heat dissipation.

References in corpus (9)

• Boron nitride substrates for high-quality graphene electronics
• Thermal Properties of Graphene, Carbon Nanotubes and Nanostructured Carbon Materials
• Thermal properties of graphene: Fundamentals and applications
• Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene
• Multiscale modeling of heat conduction in graphene laminates
• Graphene on boron-nitride: Moiré pattern in the van der Waals energy
• Quantum Hall Effects in Monolayer-Bilayer Graphene Planar Junctions
• Inter-layer and Intra-layer Heat Transfer in Bilayer/Monolayer Graphene van der Waals Heterostructure: Is There a Kapitza Resistance Analogous?
• Thermal boundary conductance and phonon transmission in hexagonal boron nitride/graphene heterostructures