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High-performance thermoelectric monolayer γ-GeSe and its group-IV monochalcogenide isostructural family
Shu, Zheng1; Wang, Bowen1; Cui, Xiangyue1; Yan, Xuefei1; Yan, Hejin1; Jia, Huaxian2; Cai, Yongqing1
2023-02-15
Source PublicationChemical Engineering Journal
ISSN1385-8947
Volume454Pages:140242
Abstract

Recently synthesized novel phase of germanium selenide (γ-GeSe) adopts a hexagonal lattice and a surprisingly high conductivity than graphite. This triggers great interests in exploring its potential for thermoelectric applications. Herein, we explored the thermoelectric performance of monolayer γ-GeSe and other isostructural γ-phase of group-IV monochalcogenides γ-GeX (X = S, Se and Te) using the density functional theory and the Boltzmann transport theory. A superb thermoelectric performance of monolayer γ-GeSe is revealed with figure of merit ZT value up to 1.13–2.76 for n-type doping at a moderate carrier concentration of 4.73–2.58 × 1012 cm-2between 300 and 600 K. This superb performance is rooted in its rich pocket states and flat plateau levels around the electronic band edges, leading to promoted concentrations and electronic conductivity, and limited thermal conductivity. Our work suggests that monolayer γ-GeSe is a promising candidate for high performance medium-temperature thermoelectric applications.

DOI10.1016/j.cej.2022.140242
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaEngineering
WOS SubjectEngineering, Environmental ; Engineering, Chemical
WOS IDWOS:000897990200004
Scopus ID2-s2.0-85141781429
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Citation statistics
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorCai, Yongqing
Affiliation1.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macao
2.Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, China
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Shu, Zheng,Wang, Bowen,Cui, Xiangyue,et al. High-performance thermoelectric monolayer γ-GeSe and its group-IV monochalcogenide isostructural family[J]. Chemical Engineering Journal, 2023, 454, 140242.
APA Shu, Zheng., Wang, Bowen., Cui, Xiangyue., Yan, Xuefei., Yan, Hejin., Jia, Huaxian., & Cai, Yongqing (2023). High-performance thermoelectric monolayer γ-GeSe and its group-IV monochalcogenide isostructural family. Chemical Engineering Journal, 454, 140242.
MLA Shu, Zheng,et al."High-performance thermoelectric monolayer γ-GeSe and its group-IV monochalcogenide isostructural family".Chemical Engineering Journal 454(2023):140242.
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