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Issue 15, 2018
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Significantly optimized thermoelectric properties in high-symmetry cubic Cu7PSe6 compounds via entropy engineering

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Abstract

High-symmetry crystal structures are preferred for thermoelectrics because high structural symmetry usually yields good electron transport properties. Entropy engineering is an effective approach to improve the structural symmetry of low-symmetry materials, and thus to enhance their thermoelectric performance. In this study, via introducing Te into the argyrodite-type compound Cu7PSe6, the configurational entropy is significantly increased to successfully improve its initial low-symmetry cubic structure (P213) to the high-symmetry cubic structure (F[4 with combining macron]3m) at room temperature. Such improved structural symmetry leads to a high density-of-state effective mass but similar carrier mobility in the same carrier concentration range as compared with the pristine Cu7PSe6. Thus, significantly optimized electron transport properties are achieved in the Te-alloyed Cu7PSe6 samples. In particular, at room temperature, the power factor of the high-symmetry cubic Cu7PSe5.7Te0.3 sample is about 15-times higher than that of the low-symmetry Cu7PSe6 matrix. Combining the well-maintained ultralow lattice thermal conductivity, a maximum ZT of around 0.55 at 600 K is obtained in Cu7PSe5.7Te0.3. This work strongly shows that entropy engineering using multiple components is a very powerful strategy to discover or design novel high-performance TE materials starting from low-symmetry compounds.

Graphical abstract: Significantly optimized thermoelectric properties in high-symmetry cubic Cu7PSe6 compounds via entropy engineering

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Publication details

The article was received on 20 Jan 2018, accepted on 07 Mar 2018 and first published on 08 Mar 2018


Article type: Paper
DOI: 10.1039/C8TA00631H
Citation: J. Mater. Chem. A, 2018,6, 6493-6502
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    Significantly optimized thermoelectric properties in high-symmetry cubic Cu7PSe6 compounds via entropy engineering

    R. Chen, P. Qiu, B. Jiang, P. Hu, Y. Zhang, J. Yang, D. Ren, X. Shi and L. Chen, J. Mater. Chem. A, 2018, 6, 6493
    DOI: 10.1039/C8TA00631H

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