Enhanced thermoelectric properties of p-type argyrodites Cu8GeS6 through Cu vacancy

doi:10.1016/j.jallcom.2020.153665

	Enhanced thermoelectric properties of p-type argyrodites Cu8GeS6 through Cu vacancy
	Fan, Yijing 2,3; Wang, Guoyu 4; Wang, Rui 3; Zhang, Bin 1; Shen, Xingchen 3; Jiang, Pengfei 3; Zhang, Xiao 1; Gu, Hao-shuang 2; Lu, Xu 3; Zhou, Xiao-yuan 1,3
刊名	JOURNAL OF ALLOYS AND COMPOUNDS
	2020-05-05
卷号	822 页码:6
关键词	Cu8GeS6 Argyrodites Fabrication method Thermal conductivity Thermoelectric properties
ISSN号	0925-8388
DOI	10.1016/j.jallcom.2020.153665
通讯作者	Gu, Hao-shuang() ; Lu, Xu() ; Zhou, Xiao-yuan(xiaoyuan2013@cqu.edu.cn)
英文摘要	Cu8GeS6 compound with room temperatures orthorhombic phase, high temperatures cubic phase and the low intrinsic lattice thermal conductivity is a potential thermoelectric material. However, its performance is limited by low electrical conductivity. In this study, p-type polycrystalline Cu8(1-x)GeS6 (x = 0.03, 0.05, 0.08, 0.10) are successfully synthesized through solid-phase reaction and hot pressing. The electrical conductivity of the wide band gap semiconductor Cu8GeS6 as verified by the density functional theory (DFT) calculation can be greatly enhanced by intentionally introduced Cu vacancy. Also, the calculation indicates that the top of valence band is mainly comprised of the Cu 3d orbitals. As a consequence, the Hall carrier concentrations are significantly enhanced to similar to 10(18) cm(-3) with Cu vacancy. Owing to the improved electrical conductivity, the compound with nominal composition of Cu7.36GeS6 reaches a maximum zT similar to 0.29 at 819 K. (C) 2020 Published by Elsevier B.V.
资助项目	National Natural Science Foundation of China[51972102] ; National Natural Science Foundation of China[51772035] ; National Natural Science Foundation of China[11674040] ; National Natural Science Foundation of China[51472036] ; Fundamental Research Funds for the Central Universities[106112017CDJQJ308821] ; Fundamental Research Funds for the Central Universities[2018CDYJSY0055] ; Fundamental Research Funds for the Central Universities[2019CDXYFXCS0006] ; Key Research Program of Frontier Sciences, CAS[QYZDB-SSW-SLH016] ; Project for Fundamental and Frontier Research in Chongqing[CSTC2017JCYJAX0388]
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	ELSEVIER SCIENCE SA
WOS记录号	WOS:000512377800039
内容类型	期刊论文
源URL	[http://119.78.100.138/handle/2HOD01W0/9842]
专题	中国科学院重庆绿色智能技术研究院
通讯作者	Gu, Hao-shuang; Lu, Xu; Zhou, Xiao-yuan
作者单位	1.Chongqing Univ, Analyt & Testing Ctr, Chongqing 401331, Peoples R China 2.Hubei Univ, Hubei Key Lab Ferro & Piezoelect Mat & Devices, Fac Phys & Elect Sci, Wuhan 430062, Hubei, Peoples R China 3.Chongqing Univ, Coll Phys, Chongqing 400044, Peoples R China 4.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China
推荐引用方式 GB/T 7714	Fan, Yijing,Wang, Guoyu,Wang, Rui,et al. Enhanced thermoelectric properties of p-type argyrodites Cu8GeS6 through Cu vacancy[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2020,822:6.
APA	Fan, Yijing.,Wang, Guoyu.,Wang, Rui.,Zhang, Bin.,Shen, Xingchen.,...&Zhou, Xiao-yuan.(2020).Enhanced thermoelectric properties of p-type argyrodites Cu8GeS6 through Cu vacancy.JOURNAL OF ALLOYS AND COMPOUNDS,822,6.
MLA	Fan, Yijing,et al."Enhanced thermoelectric properties of p-type argyrodites Cu8GeS6 through Cu vacancy".JOURNAL OF ALLOYS AND COMPOUNDS 822(2020):6.