Enhanced thermoelectric performance of a chalcopyrite compound Culn3Se5-xTex (x=0∼0.5) through crystal structure engineering

被引：19

作者：

Lu, Yufu ^{[1
,2
]}

Chen, Shaoping ^{[1
]}

Wu, Wenchang ^{[2
]}

Du, Zhengliang ^{[2
]}

Chao, Yimin ^{[3
]}

Cui, Jiaolin ^{[2
]}

机构：

[1] Taiyuan Univ Technol, Mat Sci & Engn Coll, Taiyuan 030024, Peoples R China

[2] Ningbo Univ Technol, Sch Mat & Chem Engn, Ningbo 315016, Zhejiang, Peoples R China

[3] Univ East Anglia, Sch Chem, Norwich NR4 7TJ, Norfolk, England

来源：

SCIENTIFIC REPORTS | 2017年 / 7卷

基金：

中国国家自然科学基金;

关键词：

ELECTRONIC-STRUCTURE; ORDERED ARRAYS; BAND-GAP; CUINSE2; CUIN3SE5; SEMICONDUCTOR; EFFICIENCY; DISTORTION; CUGASE2; CUINTE2;

D O I：

10.1038/srep40224

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

In this work the chalcopyrite CuIn3Se5-xTex (x = 0-0.5) with space group l (4) over bar 2m through isoelectronic substitution of Te for Se have been prepared, and the crystal structure dilation has been observed with increasing Te content. This substitution allows the anion position displacement Delta U = 0.25-U to be zero at x approximate to 0.15. However, the material at x = 0.1 (Delta U = 0.15 x 10(-3)), which is the critical Te content, presents the best thermoelectric (TE) performance with dimensionless figure of merit ZT = 0.4 at 930 K. As x value increases from 0.1, the quality factor B, which informs about how large a ZT can be expected for any given material, decreases, and the TE performance degrades gradually due to the reduction in n(H) and enhancement kappa(L). Combining with the ZTs from several chalcopyrite compounds, it is believable that the best thermoelectric performance can be achieved at a certain Delta u value (Delta U not equal 0) for a specific space group if their crystal structures can be engineered.

引用

页数：8