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<p>Zintl-phase Mg<sub>3</sub>(Sb, Bi)<sub>2</sub> alloys have garnered significant attention, due to their abundance of constituent elements, non-toxicity, low cost, and intrinsically low thermal conductivity. However, their large-scale application remains limited by the stringent synthesis requirements. In this study, we report a scalable melting–SPS strategy to synthesize Mg<sub>3</sub>(Sb, Bi)<sub>2</sub> alloys with precisely tuning the Bi content. Partial substitution of Sb by Bi effectively modulates carrier concentration and mobility, while the associated mass and strain field fluctuations, together with the softer Mg–Bi bonds, significantly enhance phonon scattering and reduce lattice thermal conductivity. The optimized composition Mg<sub>3.5</sub>SbBi<sub>0.99</sub>Te<sub>0.01</sub> achieved a peak power factor of 23.56&#xa0;μW&#xa0;cm<sup>−1</sup>&#xa0;K<sup>−2</sup> at 373&#xa0;K, outperforming most reported Mg<sub>3</sub>(Sb, Bi)<sub>2</sub> materials in the near room temperature range. It also delivers a high average <i>ZT</i> of 0.99, comparable to the commercial Bi<sub>2</sub>Te<sub>3</sub>-based alloys. Its room-temperature <i>ZT</i> of 0.83 surpasses most previously reported Mg<sub>3</sub>(Sb, Bi)<sub>2</sub> materials. A peak <i>ZT</i> of 1.13 at 423&#xa0;K further demonstrates this balanced and high performance across 300–773&#xa0;K, highlighting the strong potential of the scalable fabrication route for practical thermoelectric applications.</p>

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Scalable strategy for high-performance n-type Mg3(Sb, Bi)2 alloys with optimized thermoelectric properties

  • 期刊论文

  • 发表日期：

    2026年1月13日

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  • Xin Chen,
  • Chenhui Xu,
  • Xiaoming Hu,
  • Xi’an Fan,
  • Zigui Luo,
  • Jiachang Shui,
  • Zhu He,
  • Yawei Li,
  • Guangqiang Li

摘要

Zintl-phase Mg3(Sb, Bi)2 alloys have garnered significant attention, due to their abundance of constituent elements, non-toxicity, low cost, and intrinsically low thermal conductivity. However, their large-scale application remains limited by the stringent synthesis requirements. In this study, we report a scalable melting–SPS strategy to synthesize Mg3(Sb, Bi)2 alloys with precisely tuning the Bi content. Partial substitution of Sb by Bi effectively modulates carrier concentration and mobility, while the associated mass and strain field fluctuations, together with the softer Mg–Bi bonds, significantly enhance phonon scattering and reduce lattice thermal conductivity. The optimized composition Mg3.5SbBi0.99Te0.01 achieved a peak power factor of 23.56 μW cm−1 K−2 at 373 K, outperforming most reported Mg3(Sb, Bi)2 materials in the near room temperature range. It also delivers a high average ZT of 0.99, comparable to the commercial Bi2Te3-based alloys. Its room-temperature ZT of 0.83 surpasses most previously reported Mg3(Sb, Bi)2 materials. A peak ZT of 1.13 at 423 K further demonstrates this balanced and high performance across 300–773 K, highlighting the strong potential of the scalable fabrication route for practical thermoelectric applications.