Theoretical study of heat transfer across biphenylene/h-BN superlattice nanoribbons

Controlling thermal conductivity of nanostructures is a key element in manufacturing tailor-made nanodevices for thermoelectric applications. Moreover, superlattice nanostructures have been demonstrated to be useful in achieving minimal thermal conductivity for the employed nanomaterials. In this work, we model two-dimensional biphenylene, a recently-synthesized sp(2)-hybridized allotrope of carbon atoms, for the implementation of a biphenylene/hexagonal Boron-Nitride (biphenylene/h-BN) superlattice nanoribbons. The effects of the length of ribbon and its superlattice period (l(p)) on the thermal conductivity are explored using molecular dynamics simulations. We calculated the length-independent intrinsic thermal conductivity (K-a) of the superlattice nanostructure, which was approximately 68% and 55% lower than the thermal conductivity of pristine h-BN and biphenylene nanosheets, respectively. The superlattice period largely determines the minimum thermal conductivity, which was at 64.1 W m(-1)k(-1) for a period value of l(p) = 2.51 nm. This work opens a new window to tune and/or minimize thermal conductivity in nanoribbons when designing thermoelectric and thermal insulation materials for favorable applications.

Automated summary

Controlling thermal conductivity of nanostructures is crucial for tailor-made nanodevices. This study focuses on modeling biphenylene/hexagonal Boron-Nitride (biphenylene/h-BN) superlattice nanoribbons and investigates the effects of length and superlattice period on thermal conductivity. The results show that the superlattice nanostructure has significantly lower thermal conductivity compared to pristine h-BN and biphenylene nanosheets, offering potential applications in thermoelectric and thermal insulation materials.