Abstract
In this study, ab-initio calculations were performed to obtain the phonon dispersions of seven different structures: single layer graphene, bilayer graphene, graphite, single layer h-BN, bilayer h-BN, bulk h-BN, and finally composite bilayer h-BN/graphene. Using these dispersions specific heat, group velocity, and single mode relaxation times of phonons were obtained to calculate their thermal conductivities, and mean free paths at room temperature. Calculated variables were used to understand the effects of additional layers to thermophysical properties, phonon mode contributions to thermal conductivity, and the limits for ballistic-diffusive heat transfer of all seven structures. Finally, based on the obtained data, thermal properties of the composite bilayer h-BN/graphene were investigated and compared to those of few layer graphene and h-BN structures.
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