Issue 31, 2018

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

Abstract

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.

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

Article information

Article type
Paper
Submitted
02 Jun 2018
Accepted
19 Jul 2018
First published
23 Jul 2018

J. Mater. Chem. C, 2018,6, 8479-8487

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

H. Kang, J. Li, Y. Liu, E. Guo, Z. Chen, D. Liu, G. Fan, Y. Zhang, X. Jiang and T. Wang, J. Mater. Chem. C, 2018, 6, 8479 DOI: 10.1039/C8TC02700E

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