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Average Atomic Size Mismatch Engineering Achieving High Sulfur Solubility in Bi 2 Te 3 for Thermoelectric Power Generation

Advanced Functional Materials, vol. 36

Abstract

ABSTRACT Doping and alloying are pivotal methods for tailoring the properties of materials. Yet, the Hume‐Rothery rule indicates that a significant atomic radius difference between the dopant and matrix atoms leads to low solubility, which limits the enhancement of material performance. Here, we propose a strategy to reduce the average atomic size mismatch (), thereby enhancing the solubility of insoluble elements. This strategy is demonstrated in sulfur‐alloyed Bi 2 Te 3 , where co‐alloying with Sb and Se reduces , boosting the solubility of S from 3% to over 16% and effectively widening the bandgap. Meanwhile, configurational entropy enhancement via alloying induces lattice distortion, which significantly strengthens phonon scattering. Directional solidification is employed to form a near‐single‐crystal texture that boosts carrier mobility. As a result, an ultralow lattice thermal conductivity of 0.49 W m −1 K −1 at 423 K and a remarkable ZT of 0.92 at 450 K are achieved in n‐type (Bi 2 Te 3 ) 0.8 (Sb 2 Se 2 S) 0.2 . A segmented module realizes an exceptional conversion efficiency of 8.27% at a temperature difference of 290 K, surpassing that of the state‐of‐the‐art Bi 2 Te 3 ‐based power generators. This work provides an effective strategy for enhancing the solubility of dopants, offering a pathway for the design of advanced material properties.

Authors 16

  1. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  2. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  3. RWTH Aachen University

    Affiliation as printed

    Institute of Physics (IA) RWTH Aachen University Aachen Germany

  4. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  5. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  6. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  7. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  8. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  9. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  10. Chang'an University

    Affiliation as printed

    Shaanxi Key Laboratory of New Transportation Energy and Automotive Energy Saving School of Energy and Electrical Engineering Chang'an University Xi'an China

  11. Xihua University

    Affiliation as printed

    School of Materials Science and Engineering Xihua University Chengdu China

  12. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  13. Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  14. Yu-ke Zhu corresponding

    Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  15. M Liu corresponding

    Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

  16. Jiehe Sui corresponding

    Harbin Institute of Technology

    Affiliation as printed

    Key Laboratory of Precision Hot Forming Harbin Institute of Technology Harbin China

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References 63