論文 Pivotal role of Sb vacancies in quaternary half-Heusler thermoelectrics

Illia Serhiienko SAMURAI ORCID (National Institute for Materials Science) ; Michael Parzer ; Fabian Garmroudi ; Andrei Novitskii SAMURAI ORCID (National Institute for Materials Science) ; Naohito Tsujii SAMURAI ORCID (National Institute for Materials Science) ; Tarachand ; Ernst Bauer ; Yuri Grin ; Takao Mori SAMURAI ORCID (National Institute for Materials Science)

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引用
Illia Serhiienko, Michael Parzer, Fabian Garmroudi, Andrei Novitskii, Naohito Tsujii, Tarachand, Ernst Bauer, Yuri Grin, Takao Mori. Pivotal role of Sb vacancies in quaternary half-Heusler thermoelectrics. Journal of Materials Chemistry A. 2025, 13 (20), 15268-15277. https://doi.org/10.1039/d5ta01437a

説明:

(abstract)

Half-Heusler compounds are promising high-temperature thermoelectric materials due to their high figure of merit and excellent mechanical properties. The capability of the Heusler structure to accommodate a large variety of different elements allows for a vast phase space of substitutions and compositions. The quaternary half-Heuslers (also known as “double half-Heuslers”) with X(Y0.5Y′0.5)Z stoichiometry have sparked particular interest as a route to lower the lattice thermal conductivity and enhance thermoelectric performance. Here, we unveil the pivotal role of intrinsic defects, namely Sb vacancies, in nominally stoichiometric X(Ni0.5Fe0.5)Sb quaternary half-Heuslers, where X = Ti, Zr, Hf. Sb vacancies naturally occur during synthesis and can switch the conduction behavior from intrinsic n-type to p-type. To control the formation of Sb vacancies, we developed a sophisticated synthesis method, which we argue will be crucial for rational design of n and p-type quaternary half-Heusler thermoelectrics.

権利情報:

キーワード: thermoelectric

刊行年月日: 2025-04-14

出版者: Royal Society of Chemistry (RSC)

掲載誌:

  • Journal of Materials Chemistry A (ISSN: 20507488) vol. 13 issue. 20 p. 15268-15277

研究助成金:

  • JST-Mirai Program JPMJMI19A1
  • Support for Pioneering Research Initiated by the Next Generation JPMJSP2124

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1039/d5ta01437a

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更新時刻: 2025-11-11 12:30:11 +0900

MDRでの公開時刻: 2025-11-11 12:22:31 +0900

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