Article Advancing very high temperature thermoelectric performance of Yb4Sb3 through dual-substitutions: a combined experimental and theoretical study

Hugo Bouteiller ; Vincent Pelletier ; Sylvain Le Tonquesse ; Bruno Fontaine ; Takao Mori SAMURAI ORCID (National Institute for Materials Science) ; Jean-François Halet ; Régis Gautier ; David Berthebaud ; Franck Gascoin

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Hugo Bouteiller, Vincent Pelletier, Sylvain Le Tonquesse, Bruno Fontaine, Takao Mori, Jean-François Halet, Régis Gautier, David Berthebaud, Franck Gascoin. Advancing very high temperature thermoelectric performance of Yb4Sb3 through dual-substitutions: a combined experimental and theoretical study. Materials Advances. 2023, 5 (3), 1217-1225. https://doi.org/10.1039/d3ma00903c
SAMURAI

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(abstract)

This article investigates the transport properties of a family of rare-earth antimonides of typical formula Yb4Sb3. A co-substitution of La on the Yb site and Bi on the Sb site was attempted to further improve the thermoelectric properties. The solubility limit of the LaxYb4-xSb2.8Bi0.2 solid solution was established to be x = 0.3. Subsequent synthesis of x = 0.1; 0.2 and 0.3 compositions at a larger scale enabled their transport properties evaluation and comparison with Yb4Sb3. The Seebeck coefficient of the substituted compounds was found to be similar to the pristine material from 373 K to 1273 K while an increase in resistivity was observed. Detailed DFT calculations confirmed that the Seebeck coefficient may not be significantly improved by La substitutions and explained the p-type conducting behavior at high temperatures of the title compounds. The thermal conductivity of La0.2Yb3.8Sb2.8Bi0.2 (x = 0.2) was found to be reduced by about 30 % compared to the Yb4Sb3 binary. The figure of merit zT of the parent Yb4Sb3 material was determined to be 0.5 at 1273 K. While dual substitutions have not permitted a significant improvement on the figure of merit mostly due to a resistivity increase, the study provides a stepping stone for further optimization.

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Keyword: thermoelectric

Date published: 2023-12-21

Publisher: Royal Society of Chemistry (RSC)

Journal:

  • Materials Advances (ISSN: 26335409) vol. 5 issue. 3 p. 1217-1225

Funding:

  • Agence Nationale de la Recherche ANR-18-CE05-0037
  • JST-Mirai Program JPMJMI19A1
  • Japan Society for the Promotion of Science PE21708

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1039/d3ma00903c

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Updated at: 2024-07-30 12:30:19 +0900

Published on MDR: 2024-07-30 12:30:19 +0900

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