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A comparative study of the thermoelectric performance of graphene-like BX (X= P, As, Sb) monolayers by Zhou, Z. Z.; Liu, H. J.; Fan, D. D.; Cao, G. H. is a scholarly article available to read on EtoBox.

What is A comparative study of the thermoelectric performance of graphene-like BX (X= P, As, Sb) monolayers about?

The electronic and phonon transport properties of graphene-like boron phosphide (BP), boron arsenide (BAs), and boron antimonide (BSb) monolayers are investigated using first-principles calculations and Boltzmann theory. By considering both the phonon-phonon and electron-phonon scatterings, we demonstrate that the strong bond anharmonicity in the BAs and BSb monolayers can dramatically suppress the phonon relaxation time but hardly affects that of electrons. As a consequence, both systems exhibit comparable power factors with that of the BP monolayer but much lower lattice thermal conductivities. Accordingly, a maximum ZT values above 3.0 can be achieved in both BAs and BSb monolayers at optimized carrier concentrations. Interestingly, very similar p- and n-type thermoelectric performance is observed in the BSb monolayer along the armchair direction, which is of vital importance in the fabrication of thermoelectric modules with comparable efficiencies.

Author

Zhou, Z. Z.; Liu, H. J.; Fan, D. D.; Cao, G. H.

Published

2019

Language

EN