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Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping
Abstract
As a lead-free material, GeTe has drawn growing attention in thermoelectrics, and a figure of merit (ZT) close to unity was previously obtained via traditional doping/alloying, largely through hole carrier concentration tuning. In this report, we show that a remarkably high ZT of ∼1.9 can be achieved at 773 K in Ge0.87Pb0.13Te upon the introduction of 3 mol % Bi2Te3. Bismuth telluride promotes the solubility of PbTe in the GeTe matrix, thus leading to a significantly reduced thermal conductivity. At the same time, it enhances the thermopower by activating a much higher fraction of charge transport from the highly degenerate Σ valence band, as evidenced by density functional theory calculations. These mechanisms are incorporated and discussed in a three-band (L + Σ + C) model and are found to explain the experimental results well. Analysis of the detailed microstructure (including rhombohedral twin structures) in Ge0.87Pb0.13Te + 3 mol % Bi2Te3 was carried out using transmission electron microscopy and crystallographic group theory. The complex microstructure explains the reduced lattice thermal conductivity and electrical conductivity as well.
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Self-citation
Metadata
- Authors
- Wu, D., Zhao, L.-D., Hao, S., Jiang, Q., Zheng, F., Doak, J. W., Wu, H., Chi, H., Gelbstein, Y., Uher, C., Wolverton, C., Kanatzidis, M., & He, J.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-08-04
- Volume
- 136
- Issue
- 32
- Pages
- 11412-11419
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2331081388
- Cited by
- 388
- References
- 25
- FWCI
- 11.61
- Type
- journal article
- Language
- en
- Open access
- closed
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