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  Improving thermoelectric performance of indium thiospinel by Se- and Te-substitution

Wyżga, P., Grimm, S., Garbe, V., Zuñiga-Puelles, E., Himcinschi, C., Veremchuk, I., et al. (2021). Improving thermoelectric performance of indium thiospinel by Se- and Te-substitution. Journal of Materials Chemistry C, 9, 4008-4019. doi:10.1039/d1tc00291k.

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Wyżga, Paweł1, Author              
Grimm, Sven2, Author
Garbe, Valentin2, Author
Zuñiga-Puelles, Esteban1, Author              
Himcinschi, Cameliu2, Author
Veremchuk, Igor3, Author              
Leithe-Jasper, Andreas4, Author              
Gumeniuk, Roman2, Author
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2External Organizations, ou_persistent22              
3Igor Veremchuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863411              
4Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              

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Free keywords: Carrier concentration, Electronic structure, Hall mobility, Hole mobility, Indium, Indium compounds, Rietveld refinement, Thermal conductivity, Thermoelectricity, Effective electrons, Electronic structure calculations, Electronic transport properties, Powder X ray diffraction, Solubility limits, Tetragonal phasis, Thermoelectric figure of merit, Thermoelectric performance, Selenium compounds
 Abstract: A structural and thermoelectric study of the polycrystalline Se- and Te-substituted In2.67S4thiospinels was performed. The obtained In2.67S4−xSex(0 ≤x≤ 0.5) and In2.67S4−yTey(0 ≤y≤ 0.15) samples were single phase and the solubility limits of Se and Te were not reached. A comprehensive phase analysis based on powder X-ray diffraction and Raman spectroscopy, as well as Rietveld refinements, confirmed that Se/Te-incorporation into the structure of binary β-In2.67S4(x= 0) favors the formation of the cubic α-modification forx> 0.15 andy≥ 0.05. Moreover, both cubic and tetragonal phases were shown to coexist in the In2.67S3.9Se0.1specimen. The Se/Te-for-S substitution strongly influenced electronic transport properties, leading to an increase of the charge carrier concentration and thus, a reduction of the electrical resistivity and Seebeck coefficient. A decrease of charge carrier mobility, observed previously upon the stabilization of the α-phase, was partially counterbalanced by a reduction of effective electron mass, as revealed by the electronic structure calculations. This resulted in the enhancement of the power factor PF > 10−4W m−1K−2above RT for In2.67S3.9Se0.1and In2.67S3.5Se0.5thiospinels in comparison to pristine In2.67S4. Combination of such an effect with the decreased thermal conductivity (i.e., < 1.5 W m−1K−1above RT) led to the improvement of the thermoelectric figure of merit by factor of 2.5 in In2.67S3.5Se0.5 © The Royal Society of Chemistry 2021.

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Language(s): eng - English
 Dates: 2021-02-242021-02-24
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1039/d1tc00291k
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Title: Journal of Materials Chemistry C
  Other : Journal of Materials Chemistry C: Materials for Optical and Electronic Devices
  Abbreviation : J. Mater. Chem. C
Source Genre: Journal
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Publ. Info: London, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 9 Sequence Number: - Start / End Page: 4008 - 4019 Identifier: ISSN: 2050-7526
CoNE: https://pure.mpg.de/cone/journals/resource/2050-7526