Metavalently bonded tellurides: the essence of improved thermoelectric performance in elemental Te

Decheng An, Senhao Zhang, Xin Zhai, Wutao Yang, Riga Wu, Huaide Zhang, Wenhao Fan, Wenxian Wang, Shaoping Chen, Oana Cojocaru-Mirédin, Xian-Ming Zhang (), Matthias Wuttig () and Yuan Yu ()
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Decheng An: Taiyuan University of Technology
Senhao Zhang: RWTH Aachen University
Xin Zhai: Southeast University
Wutao Yang: Taiyuan University of Technology
Riga Wu: RWTH Aachen University
Huaide Zhang: RWTH Aachen University
Wenhao Fan: Taiyuan University of Technology
Wenxian Wang: Taiyuan University of Technology
Shaoping Chen: Taiyuan University of Technology
Oana Cojocaru-Mirédin: Albert-Ludwigs-Universität Freiburg
Xian-Ming Zhang: Taiyuan University of Technology
Matthias Wuttig: RWTH Aachen University
Yuan Yu: RWTH Aachen University

Nature Communications, 2024, vol. 15, issue 1, 1-13

Abstract: Abstract Elemental Te is important for semiconductor applications including thermoelectric energy conversion. Introducing dopants such as As, Sb, and Bi has been proven critical for improving its thermoelectric performance. However, the remarkably low solubility of these elements in Te raises questions about the mechanism with which these dopants can improve the thermoelectric properties. Indeed, these dopants overwhelmingly form precipitates rather than dissolve in the Te lattice. To distinguish the role of doping and precipitation on the properties, we have developed a correlative method to locally determine the structure-property relationship for an individual matrix or precipitate. We reveal that the conspicuous enhancement of electrical conductivity and power factor of bulk Te stems from the dopant-induced metavalently bonded telluride precipitates. These precipitates form electrically beneficial interfaces with the Te matrix. A quantum-mechanical-derived map uncovers more candidates for advancing Te thermoelectrics. This unconventional doping scenario adds another recipe to the design options for thermoelectrics and opens interesting pathways for microstructure design.

Date: 2024
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DOI: 10.1038/s41467-024-47578-w

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