Defects in Graphene/h-BN Planar Heterostructures: Insights into the Interfacial Thermal Transport Properties

Abstract

In this work, the defects (local stress generated) induce the formation of graphene/h-BN planar heterostructure (Gr-hBN-PH) to form "unsteady structure". Then, the coupling effects of external field (heat flow direction, strain and temperature field) and internal field (defect number, geometry shape and interfacial configuration) on the interface thermal conductivity (ITC) of Gr-hBN-PH were studied. The results show phonon transmission is less affected by compression deformation under the action of force-heat-defect coupling, while phonon transmission of heterostructure is more affected by tensile deformation. The non-harmonic interaction of the atoms in the composite system is strengthened, causing the softening of high-frequency phonons. The greater reduction of thermal transport at the interface of heterostructures will be. The interface bonding morphology plays a significant role on the ITC of the Gr-hBN-PH. The relationship between structure and properties in the low dimension is analyzed from the perspective of defect energy. It is helpful for us to understand the physical mechanism of low-dimensional structure, realize multiple structural forms, and even explore new uses.