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Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer
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 fir...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8492988/ https://www.ncbi.nlm.nih.gov/pubmed/34631662 http://dx.doi.org/10.3389/fchem.2021.739984 |
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author | Hu, Yonglan Li, Ding Liu, Rongkun Li, Shichang Feng, Chunbao Li, Dengfeng Ding, Guangqian |
author_facet | Hu, Yonglan Li, Ding Liu, Rongkun Li, Shichang Feng, Chunbao Li, Dengfeng Ding, Guangqian |
author_sort | Hu, Yonglan |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-8492988 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Frontiers Media S.A. |
record_format | MEDLINE/PubMed |
spelling | pubmed-84929882021-10-07 Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer Hu, Yonglan Li, Ding Liu, Rongkun Li, Shichang Feng, Chunbao Li, Dengfeng Ding, Guangqian Front Chem Chemistry 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. Frontiers Media S.A. 2021-09-22 /pmc/articles/PMC8492988/ /pubmed/34631662 http://dx.doi.org/10.3389/fchem.2021.739984 Text en Copyright © 2021 Hu, Li, Liu, Li, Feng, Li and Ding. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. |
spellingShingle | Chemistry Hu, Yonglan Li, Ding Liu, Rongkun Li, Shichang Feng, Chunbao Li, Dengfeng Ding, Guangqian Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer |
title | Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer |
title_full | Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer |
title_fullStr | Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer |
title_full_unstemmed | Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer |
title_short | Promising Thermoelectric Performance in Two-Dimensional Semiconducting Boron Monolayer |
title_sort | promising thermoelectric performance in two-dimensional semiconducting boron monolayer |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8492988/ https://www.ncbi.nlm.nih.gov/pubmed/34631662 http://dx.doi.org/10.3389/fchem.2021.739984 |
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