Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer

Hu, Yonglan and Li, Ding and Liu, Rongkun and Li, Shichang and Feng, Chunbao and Li, Dengfeng and Ding, Guangqian (2021) Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer. Frontiers in Chemistry, 9. ISSN 2296-2646

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Abstract

A heavy element is a special character for high thermoelectric performance since it generally guarantees a low lattice thermal conductivity. Here, we unexpectedly found a promising thermoelectric performance in a two-dimensional semiconducting monolayer consisting of a light boron element. Using first-principles combined with the Boltzmann transport theory, we have shown that in contrast to graphene or black phosphorus, the boron monolayer has a low lattice thermal conductivity arising from its complex crystal of hexagonal vacancies. The conduction band with an intrinsic camelback shape leads to the high DOS and a high n-type Seebeck coefficient, while the highly degenerate valence band along with the small hole effective mass contributes to the high p-type power factor. As a result, we obtained the p-type thermoelectric figure of merit up to 0.96 at 300 K, indicating that the boron monolayer is a promising p-type thermoelectric material.

Item Type: Article
Subjects: Scholar Eprints > Chemical Science
Depositing User: Managing Editor
Date Deposited: 13 Mar 2023 06:17
Last Modified: 03 Sep 2024 05:49
URI: http://repository.stmscientificarchives.com/id/eprint/766

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