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Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice

[Image: see text] We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional transition metal dichalcogenide WS(2) based on the experimentally prepared WS(2)/WSe(2) lateral superlattice (LS) crystal. On the basis of density function theory combined with a...

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Autores principales: Hu, Yonglan, Yang, Tie, Li, Dengfeng, Ding, Guangqian, Dun, Chaochao, Wu, Dandan, Wang, Xiaotian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7992166/
https://www.ncbi.nlm.nih.gov/pubmed/33778299
http://dx.doi.org/10.1021/acsomega.1c00457
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author Hu, Yonglan
Yang, Tie
Li, Dengfeng
Ding, Guangqian
Dun, Chaochao
Wu, Dandan
Wang, Xiaotian
author_facet Hu, Yonglan
Yang, Tie
Li, Dengfeng
Ding, Guangqian
Dun, Chaochao
Wu, Dandan
Wang, Xiaotian
author_sort Hu, Yonglan
collection PubMed
description [Image: see text] We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional transition metal dichalcogenide WS(2) based on the experimentally prepared WS(2)/WSe(2) lateral superlattice (LS) crystal. On the basis of density function theory combined with a Boltzmann transport equation, we show that the TE figure of merit zT of monolayer WS(2) is remarkably enhanced when forming into a WS(2)/WSe(2) LS crystal. This is primarily ascribed to the almost halved lattice thermal conductivity due to the enhanced anharmonic processes. Electronic transport properties parallel (xx) and perpendicular (yy) to the superlattice period are highly symmetric for both p- and n-doped LS owing to the nearly isotropic lifetime of charger carriers. The spin-orbital effect causes a significant split of conduction band and leads to three-fold degenerate sub-bands and high density of states (DOS), which offers opportunity to obtain a high n-type Seebeck coefficient (S). Interestingly, the separated degenerate sub-bands and upper conduction band in monolayer WS(2) form a remarkable stair-like DOS, yielding a higher S. The hole carriers with much higher mobility than electrons reveal the high p-type power factor, and the potential to be good p-type TE materials with optimal zT exceeds 1 at 400 K in WS(2)/WSe(2) LS.
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spelling pubmed-79921662021-03-26 Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice Hu, Yonglan Yang, Tie Li, Dengfeng Ding, Guangqian Dun, Chaochao Wu, Dandan Wang, Xiaotian ACS Omega [Image: see text] We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional transition metal dichalcogenide WS(2) based on the experimentally prepared WS(2)/WSe(2) lateral superlattice (LS) crystal. On the basis of density function theory combined with a Boltzmann transport equation, we show that the TE figure of merit zT of monolayer WS(2) is remarkably enhanced when forming into a WS(2)/WSe(2) LS crystal. This is primarily ascribed to the almost halved lattice thermal conductivity due to the enhanced anharmonic processes. Electronic transport properties parallel (xx) and perpendicular (yy) to the superlattice period are highly symmetric for both p- and n-doped LS owing to the nearly isotropic lifetime of charger carriers. The spin-orbital effect causes a significant split of conduction band and leads to three-fold degenerate sub-bands and high density of states (DOS), which offers opportunity to obtain a high n-type Seebeck coefficient (S). Interestingly, the separated degenerate sub-bands and upper conduction band in monolayer WS(2) form a remarkable stair-like DOS, yielding a higher S. The hole carriers with much higher mobility than electrons reveal the high p-type power factor, and the potential to be good p-type TE materials with optimal zT exceeds 1 at 400 K in WS(2)/WSe(2) LS. American Chemical Society 2021-03-13 /pmc/articles/PMC7992166/ /pubmed/33778299 http://dx.doi.org/10.1021/acsomega.1c00457 Text en © 2021 The Authors. Published by American Chemical Society Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Hu, Yonglan
Yang, Tie
Li, Dengfeng
Ding, Guangqian
Dun, Chaochao
Wu, Dandan
Wang, Xiaotian
Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice
title Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice
title_full Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice
title_fullStr Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice
title_full_unstemmed Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice
title_short Origins of Minimized Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in WS(2)/WSe(2) Lateral Superlattice
title_sort origins of minimized lattice thermal conductivity and enhanced thermoelectric performance in ws(2)/wse(2) lateral superlattice
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7992166/
https://www.ncbi.nlm.nih.gov/pubmed/33778299
http://dx.doi.org/10.1021/acsomega.1c00457
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