Exceptional Performance Driven by Planar Honeycomb Structure in a New High Temperature Thermoelectric Material BaAgAs

doi:10.1002/adfm.202100583

	Exceptional Performance Driven by Planar Honeycomb Structure in a New High Temperature Thermoelectric Material BaAgAs
	Peng, Kunling 1,6; Zhou, Zizhen 4,5; Wang, Honghui 1,6; Wu, Hong 4,5; Ying, Jianjun 1,6; Han, Guang 3; Lu, Xu 4,5; Wang, Guoyu 2; Zhou, Xiaoyuan 4,5; Chen, Xianhui 1,6
刊名	ADVANCED FUNCTIONAL MATERIALS
	2021-04-01
页码	9
关键词	BaAgAs multiple band transport planar hexagonal structures planar honeycomb structures thermoelectric materials
ISSN号	1616-301X
DOI	10.1002/adfm.202100583
通讯作者	Zhou, Xiaoyuan(xiaoyuan2013@cqu.edu.cn) ; Chen, Xianhui(chenxh@ustc.edu.cn)
英文摘要	The discovery of new, high-performing thermoelectrics is of vital importance to promoting thermal energy conversion efficiency. Herein, a new p-type thermoelectric material BaAgAs with an exceptional figure of merit (zT) surpassing 1.1 at 970 K is present as a promising candidate for high-temperature applications. Verified by comprehensive experimental and theoretical investigations, BaAgAs possesses two intrinsic features in favoring zT: i) low lattice thermal conductivity, ascribed to the heavy element Ba in a loose mono-hexagonal layer, the large mass fluctuation in the Ag-As honeycomb layer, and the alternately interlayer stacking between mono-hexagonal and honeycomb layers; ii) good electrical properties contributed by multiple band transport, due to the small band offset between two valence band extremums and the strong anisotropic band effective mass. With enhanced phonon-phonon scattering via Sb/Bi substitution on the As sites, the lattice thermal conductivity is minimized, which results in significantly enhanced zT values. Additionally, an inspiring prediction via the first-principles calculation suggests that n-type BaAgAs can potentially outperform its p-type counterpart due to its higher conducting band degeneracy. This study will stimulate intense interests in the exploration of compounds with planar honeycomb structures as new high-performance thermoelectric materials.
资助项目	National Key R&D Program of China[2019YFA0704901] ; National Natural Science Foundation of China[11888101] ; National Natural Science Foundation of China[11904348] ; National Natural Science Foundation of China[52071041] ; Fundamental Research Funds for the Central Universities[106112017CDJQJ308821] ; China Postdoctoral Science Foundation[2018M640585]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000635841700001
内容类型	期刊论文
源URL	[http://119.78.100.138/handle/2HOD01W0/13282]
专题	中国科学院重庆绿色智能技术研究院
通讯作者	Zhou, Xiaoyuan; Chen, Xianhui
作者单位	1.Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China 2.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 3.Chongqing Univ, Coll Mat Sci & Engn, Chongqing 401331, Peoples R China 4.Chongqing Univ, Inst Adv Interdisciplinary Studies, Chongqing 401331, Peoples R China 5.Chongqing Univ, Coll Phys, Chongqing 401331, Peoples R China 6.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Peng, Kunling,Zhou, Zizhen,Wang, Honghui,et al. Exceptional Performance Driven by Planar Honeycomb Structure in a New High Temperature Thermoelectric Material BaAgAs[J]. ADVANCED FUNCTIONAL MATERIALS,2021:9.
APA	Peng, Kunling.,Zhou, Zizhen.,Wang, Honghui.,Wu, Hong.,Ying, Jianjun.,...&Chen, Xianhui.(2021).Exceptional Performance Driven by Planar Honeycomb Structure in a New High Temperature Thermoelectric Material BaAgAs.ADVANCED FUNCTIONAL MATERIALS,9.
MLA	Peng, Kunling,et al."Exceptional Performance Driven by Planar Honeycomb Structure in a New High Temperature Thermoelectric Material BaAgAs".ADVANCED FUNCTIONAL MATERIALS (2021):9.