Two-Dimensional Graphene/h-BN stacking heterostructure: A dynamically stable composite having ultralow lattice thermal conductivity and high room-temperature thermoelectric performance

Abstract We investigate the thermoelectric transport properties of stacking heterostructure of graphene and hexagonal boron nitride (h-BN) monolayers using the density functional theory (DFT) and semi-classical Boltzmann transport theory. We find that the heterostructure has quite a low lattice thermal conductivity as compared to its constituent monolayers graphene and h-BN. The charge carrier mobilities of the heterostructure are high as compared to many 2D materials like phosphorene, MoS 2 etc. Consequently, the heterostructure has a high room temperature ZT equal to 0.76 which confirms its suitability for room-temperature thermoelectric applications.