Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets

Abstract The thermoelectric conversion efficiency of a material relies on a dimensionless parameter (ZT = S 2 σT/κ). It is a great challenge in enhancing the ZT value basically due to that the related transport factors of most of the bulk materials are inter-conditioned to each other, making it very...

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Autores principales:	Jun Li, Jinni Shen, Zuju Ma, Kechen Wu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/0d399f6421ea444b9140f82567ccedc6
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id	oai:doaj.org-article:0d399f6421ea444b9140f82567ccedc6
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spelling	oai:doaj.org-article:0d399f6421ea444b9140f82567ccedc62021-12-02T12:32:19ZThickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets10.1038/s41598-017-09572-92045-2322https://doaj.org/article/0d399f6421ea444b9140f82567ccedc62017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-09572-9https://doaj.org/toc/2045-2322Abstract The thermoelectric conversion efficiency of a material relies on a dimensionless parameter (ZT = S 2 σT/κ). It is a great challenge in enhancing the ZT value basically due to that the related transport factors of most of the bulk materials are inter-conditioned to each other, making it very difficult to simultaneously optimize these parameters. In this report, the negative correlation between power factor and thermal conductivity of nano-scaled SnS2 multilayers is predicted by high-level first-principle computations combined with Boltzmann transport theory. By diminishing the thickness of SnS2 nanosheet to about 3 L, the S and σ along a direction simultaneously increase whereas κ decreases, achieving a high ZT value of 1.87 at 800 K. The microscopic mechanisms for this unusual negative correlation in nano-scaled two dimensional (2D) material are elucidated and attributed to the quantum confinement effect. The results may open a way to explore the high ZT thermoelectric nano-devices for the practical thermoelectric applications.Jun LiJinni ShenZuju MaKechen WuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Jun Li Jinni Shen Zuju Ma Kechen Wu Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
description	Abstract The thermoelectric conversion efficiency of a material relies on a dimensionless parameter (ZT = S 2 σT/κ). It is a great challenge in enhancing the ZT value basically due to that the related transport factors of most of the bulk materials are inter-conditioned to each other, making it very difficult to simultaneously optimize these parameters. In this report, the negative correlation between power factor and thermal conductivity of nano-scaled SnS2 multilayers is predicted by high-level first-principle computations combined with Boltzmann transport theory. By diminishing the thickness of SnS2 nanosheet to about 3 L, the S and σ along a direction simultaneously increase whereas κ decreases, achieving a high ZT value of 1.87 at 800 K. The microscopic mechanisms for this unusual negative correlation in nano-scaled two dimensional (2D) material are elucidated and attributed to the quantum confinement effect. The results may open a way to explore the high ZT thermoelectric nano-devices for the practical thermoelectric applications.
format	article
author	Jun Li Jinni Shen Zuju Ma Kechen Wu
author_facet	Jun Li Jinni Shen Zuju Ma Kechen Wu
author_sort	Jun Li
title	Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
title_short	Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
title_full	Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
title_fullStr	Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
title_full_unstemmed	Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
title_sort	thickness-controlled electronic structure and thermoelectric performance of ultrathin sns2 nanosheets
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/0d399f6421ea444b9140f82567ccedc6
work_keys_str_mv	AT junli thicknesscontrolledelectronicstructureandthermoelectricperformanceofultrathinsns2nanosheets AT jinnishen thicknesscontrolledelectronicstructureandthermoelectricperformanceofultrathinsns2nanosheets AT zujuma thicknesscontrolledelectronicstructureandthermoelectricperformanceofultrathinsns2nanosheets AT kechenwu thicknesscontrolledelectronicstructureandthermoelectricperformanceofultrathinsns2nanosheets
_version_	1718394079048368128

Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets

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