Optimizing the thermoelectric transport properties of BiCuSeO via doping with the rare-earth variable-valence element Yb

被引：34

作者：

Kang, Huijun ^{[1
]}

Li, Jinling ^{[1
]}

Liu, Yinqiao ^{[2
]}

Guo, Enyu ^{[1
]}

Chen, Zongning ^{[1
]}

Liu, Daquan ^{[1
]}

Fan, Guohua ^{[3
]}

Zhang, Yuwei ^{[1
]}

Jiang, Xue ^{[2
]}

Wang, Tongmin ^{[1
]}

机构：

[1] Dalian Univ Technol, Key Lab Solidificat Control & Digital Preparat Te, Sch Mat Sci & Engn, Dalian 116024, Peoples R China

[2] Dalian Univ Technol, Key Lab Mat Modificat Laser Ion & Electron Beams, Minist Educ, Dalian 116024, Peoples R China

[3] Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150001, Heilongjiang, Peoples R China

来源：

JOURNAL OF MATERIALS CHEMISTRY C | 2018年 / 6卷 / 31期

基金：

中国国家自然科学基金;

关键词：

TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; DOPED BICUSEO; THERMAL-CONDUCTIVITY; POWER-GENERATION; BAND-GAP; PERFORMANCE; OXYSELENIDES; FIGURE; MERIT;

D O I：

10.1039/c8tc02700e

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Herein, we propose for the first time a novel recipe to improve the thermoelectric properties of BiCuSeO by doping with variable valence elements. Taking Yb-doped BiCuSeO as a typical example, the dimensionless figure of merit (ZT) is optimized by simultaneously doping with Yb2+ to increase the carrier concentration and by introducing Yb3+ to increase the carrier mobility. The mechanisms of valence fluctuation, the increase in carrier concentration and the increase in mobility are investigated by combining experimental results with first-principles calculations. By coupling high electronic conductivity, medium Seebeck coefficient, and low thermal conductivity, a maximum ZT value of 0.62 is achieved at 823 K for Bi0.7Yb0.3CuSeO, which is 1.55 times higher than that of pristine BiCuSeO. These findings undoubtedly provide a new strategy for the rational design of high-ZT thermoelectric materials.

引用

页码：8479 / 8487

页数：9

共 51 条

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