Active Learning-Guided Accelerated Discovery of Ultra-Efficient High-Entropy Thermoelectrics

© 2025 Wiley‐VCH GmbH.

Bibliographische Detailangaben
Veröffentlicht in:Advanced materials (Deerfield Beach, Fla.). - 1998. - (2025) vom: 09. Okt., Seite e15054
1. Verfasser: Jang, Hanhwi (VerfasserIn)
Weitere Verfasser: Lee, Wooseok, Kim, Hwa-Jung, Cha, Sohyang, Shin, Hosun, Lee, Won Bo, Oh, Min-Wook, Jung, Yeon Sik, Kim, YongJoo
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2025
Zugriff auf das übergeordnete Werk:Advanced materials (Deerfield Beach, Fla.)
Schlagworte:Journal Article active learning disordered efficiency high‐entropy chalcogenides thermoelectrics
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520 |a High-entropy alloys are emerging as highly efficient thermoelectrics, but their vast compositional spaces hinder efficient material discovery using conventional heuristics-based and advanced machine learning approaches. Here, this fundamental challenge is addressed by demonstrating an active learning framework that leverages sparse experimental data (80 out of 16206) to efficiently identify three new high-entropy chalcogenides (HECs) with remarkable thermoelectric performance (zT >2). By integrating physics-informed descriptors with uncertainty-aware sampling, this model efficiently assimilates latent structure-property relationships. This allows for systematic exclusion of unfavorable chemistries, enabling even non-experts in thermoelectrics to design unexplored systems with arbitrary components. Furthermore, novel atomic arrangements and distinctive electron and phonon transport properties are uncovered, which are responsible for the superior performance in HECs, advancing the understanding of physical phenomena in disorder-rich systems 
650 4 |a Journal Article 
650 4 |a active learning 
650 4 |a disordered 
650 4 |a efficiency 
650 4 |a high‐entropy chalcogenides 
650 4 |a thermoelectrics 
700 1 |a Lee, Wooseok  |e verfasserin  |4 aut 
700 1 |a Kim, Hwa-Jung  |e verfasserin  |4 aut 
700 1 |a Cha, Sohyang  |e verfasserin  |4 aut 
700 1 |a Shin, Hosun  |e verfasserin  |4 aut 
700 1 |a Lee, Won Bo  |e verfasserin  |4 aut 
700 1 |a Oh, Min-Wook  |e verfasserin  |4 aut 
700 1 |a Jung, Yeon Sik  |e verfasserin  |4 aut 
700 1 |a Kim, YongJoo  |e verfasserin  |4 aut 
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