Enhanced thermoelectric performance of a chalcopyrite compound CuIn3Se5-xTex (x=0~0.5) through crystal structure engineering

Lu, Yufu, Chen, Shaoping, Wu, Wenchang, Du, Zhengliang, Chao, Yimin and Cui, Jiaolin (2017) Enhanced thermoelectric performance of a chalcopyrite compound CuIn3Se5-xTex (x=0~0.5) through crystal structure engineering. Scientific Reports, 7. ISSN 2045-2322

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In this work the chalcopyrite CuIn3Se5−xTex (x = 0~0.5) with space group 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 ∆u = 0.25-u to be zero at x ≈ 0.15. However, the material at x = 0.1 (∆u = 0.15 × 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 nH and enhancement in κL. Combining with the ZTs from several chalcopyrite compounds, it is believable that the best thermoelectric performance can be achieved at a certain ∆u value (∆u ≠ 0) for a specific space group if their crystal structures can be engineered.

Item Type: Article
Additional Information: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
Uncontrolled Keywords: thermoelectric performance,crystal structure engineering,chalcopyrite cuin3se5,hall carrier concentration
Faculty \ School: Faculty of Science > School of Chemistry
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Depositing User: Pure Connector
Date Deposited: 15 Dec 2016 00:05
Last Modified: 16 Nov 2020 00:48
URI: https://ueaeprints.uea.ac.uk/id/eprint/61729
DOI: 10.1038/srep40224

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