Boosting Thermoelectric Performance of Cu2SnSe3 via Comprehensive Band Structure Regulation and Intensified Phonon Scattering by Multidimensional Defects

doi:10.1021/acsnano.1c03120

	Boosting Thermoelectric Performance of Cu2SnSe3 via Comprehensive Band Structure Regulation and Intensified Phonon Scattering by Multidimensional Defects
	Ming, Hongwei 2,3; Zhu, Gaofan 1,3; Zhu, Chen 2,3; Qin, Xiaoying 2; Chen, Tao 2,3; Zhang, Jian 2; Li, Di 2; Xin, Hongxing 2; Jabar, Bushra 2,3
刊名	ACS NANO
	2021-06-22
卷号	15
关键词	thermoelectric Cu2SnSe3 energy band regulation phonon scattering multidimensional defects
ISSN号	1936-0851
DOI	10.1021/acsnano.1c03120
通讯作者	Qin, Xiaoying(xyqin@issp.ac.cn) ; Zhang, Jian(zhangjian@issp.ac.cn) ; Xin, Hongxing(xinhongxing@issp.ac.cn)
英文摘要	As an eco-friendly thermoelectric material, Cu2SnSe3 has recently drawn much attention. However, its high electrical resistivity rho and low thermopower S prohibit its thermoelectric performance. Herein, we show that a widened band gap and the increased density of states are achieved via S alloying, resulting in 1.6 times enhancement of S (from 170 to 277 mu V/K). Moreover, doping In at the Sn site can cause a 19-fold decrease of rho and a 2.2 times enhancement of S (at room temperature) due to both multivalence bands' participation in electrical transport and the further enhancement of the density of states effective mass, which allows a sharp increase in the power factor. As a result, PF = 9.3 mu W cm(-1) K-2 was achieved at similar to 800 K for the Cu2Sn0.82In0.18Se2.7S0.3 sample. Besides, as large as 44% reduction of lattice thermal conductivity is obtained via intensified phonon scattering by In-doping-induced formation of multidimensional defects, such as Sn vacancies, dislocations, twin boundaries, and CuInSe2 nanoprecipitates. Consequently, a record high figure of merit of ZT = 1.51 at 858 K is acquired for Cu2Sn0.82In0.18Se2.7S0.3, which is 4.7-fold larger than that of pristine Cu2SnSe3.
资助项目	National Natural Science Foundation of China[11674322] ; National Natural Science Foundation of China[51672278] ; National Natural Science Foundation of China[51972307] ; Anhui Provinical Natural Science Foundation[2008085MA18]
WOS关键词	LATTICE THERMAL-CONDUCTIVITY ; FIGURE ; MERIT
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000665748900119
资助机构	National Natural Science Foundation of China ; Anhui Provinical Natural Science Foundation
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/123418]
专题	中国科学院合肥物质科学研究院
通讯作者	Qin, Xiaoying; Zhang, Jian; Xin, Hongxing
作者单位	1.Chinese Acad Sci, Inst Nucl Energy Safety Technol, Hefei Inst Phys Sci, Hefei 230031, Anhui, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Photovolta & Energy Conservat Mat, HFIPS, Hefei 230031, Peoples R China 3.Univ Sci & Technol China, Hefei 230026, Peoples R China
推荐引用方式 GB/T 7714	Ming, Hongwei,Zhu, Gaofan,Zhu, Chen,et al. Boosting Thermoelectric Performance of Cu2SnSe3 via Comprehensive Band Structure Regulation and Intensified Phonon Scattering by Multidimensional Defects[J]. ACS NANO,2021,15.
APA	Ming, Hongwei.,Zhu, Gaofan.,Zhu, Chen.,Qin, Xiaoying.,Chen, Tao.,...&Jabar, Bushra.(2021).Boosting Thermoelectric Performance of Cu2SnSe3 via Comprehensive Band Structure Regulation and Intensified Phonon Scattering by Multidimensional Defects.ACS NANO,15.
MLA	Ming, Hongwei,et al."Boosting Thermoelectric Performance of Cu2SnSe3 via Comprehensive Band Structure Regulation and Intensified Phonon Scattering by Multidimensional Defects".ACS NANO 15(2021).