Skip to main content

Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

  • Article
  • Published:

Atomic-scale interface strengthening unlocks efficient and durable Mg-based thermoelectric devices

Nature Materials volume 24, pages 735–742 (2025) Cite this article

Subjects

Abstract

Solid-state thermoelectric technology presents a compelling solution for converting waste heat into electrical energy. However, its widespread application is hindered by long-term stability issues, particularly at the electrode–thermoelectric material interface. Here we address this challenge by constructing an atomic-scale direct bonding interface. By forming robust chemical bonds between Co and Sb atoms, we develop MgAgSb/Co thermoelectric junctions with a low interfacial resistivity (2.5 µΩ cm2), high bonding strength (60.6 MPa) and high thermal stability at 573 K. This thermally stable and ohmic contact interface enables MgAgSb-based thermoelectric modules to achieve a conversion efficiency of 10.2% at a temperature difference of 287 K and to exhibit negligible degradation over 1,440 h of thermal cycling. Our findings underscore the critical role of atomic-scale interface engineering in advancing thermoelectric semiconductor devices, enabling more efficient and durable thermoelectric modules.

This is a preview of subscription content, access via your institution

Access options

Buy this article

  • Purchase on SpringerLink
  • Instant access to the full article PDF.

USD 39.95

Prices may be subject to local taxes which are calculated during checkout

Fig. 1: Atomic interface design for efficient and durable thermoelectric devices.
The alternative text for this image may have been generated using AI.
Fig. 2: Interfacial electrical properties.
The alternative text for this image may have been generated using AI.
Fig. 3: Microstructural characterization and mechanisms of interfacial stability.
The alternative text for this image may have been generated using AI.
Fig. 4: Atomic-level direct bonding interfaces exhibit exceptional bonding strength.
The alternative text for this image may have been generated using AI.
Fig. 5: High-efficiency and durable MgAgSb/Mg3SbBi thermoelectric modules.
The alternative text for this image may have been generated using AI.

Similar content being viewed by others

Data availability

All data are available in the Article or its Supplementary Information, and are available from the corresponding authors upon request. The DFT calculation and molecular dynamics configurations have been uploaded to NOMAD at https://nomad-lab.eu/prod/v1/gui/search/entries/entry/id/nNlpJjeDIkwbN1lSZXRaDwp2ahuF/files/_mainfile. Source data are provided with this paper.

References

  1. Yang, Q. et al. Flexible thermoelectrics based on ductile semiconductors. Science 377, 854–858 (2022).

    Article  CAS  PubMed  Google Scholar 

  2. Zhang, Q., Deng, K. & Wilkens, L. et al. Micro-thermoelectric devices. Nat. Electron. 5, 333–347 (2022).

    Article  Google Scholar 

  3. Hu, H. et al. Highly stabilized and efficient thermoelectric copper selenide. Nat. Mater. 23, 527–534 (2024).

    Article  CAS  PubMed  Google Scholar 

  4. Yan, Q. & Kanatzidis, M. G. High-performance thermoelectrics and challenges for practical devices. Nat. Mater. 21, 503–513 (2022).

    Article  CAS  PubMed  Google Scholar 

  5. Jiang, B. et al. High-entropy-stabilized chalcogenides with high thermoelectric performance. Science 371, 830–834 (2021).

    Article  CAS  PubMed  Google Scholar 

  6. Jiang, B. et al. Entropy engineering promotes thermoelectric performance in p-type chalcogenides. Nat. Commun. 12, 3234 (2021).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  7. Jia, B. et al. Pseudo-nanostructure and trapped-hole release induce high thermoelectric performance in PbTe. Science 384, 81–86 (2024).

    Article  CAS  PubMed  Google Scholar 

  8. Jiang, B. et al. High figure-of-merit and power generation in high-entropy GeTe-based thermoelectrics. Science 377, 208–213 (2022).

    Article  CAS  PubMed  Google Scholar 

  9. Xing, T. et al. Ultralow lattice thermal conductivity and superhigh thermoelectric figure-of-merit in (Mg, Bi) co-doped GeTe. Adv. Mater. 33, 2008773 (2021).

    Article  CAS  Google Scholar 

  10. Liu, C. et al. Charge transfer engineering to achieve extraordinary power generation in GeTe-based thermoelectric materials. Sci. Adv. 9, eadh0713 (2023).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  11. Yu, Y., Xu, X. & Bosman, M. et al. Germanium-telluride-based thermoelectrics. Nat. Rev. Electr. Eng. 1, 109–123 (2024).

    Article  Google Scholar 

  12. Zhang, Z. et al. Cu2Se-based liquid-like thermoelectric materials: looking back and stepping forward. Energy Environ. Sci. 13, 3307–3329 (2020).

    Article  CAS  Google Scholar 

  13. Zhou, Z. et al. Compositing effects for high thermoelectric performance of Cu2Se-based materials. Nat. Commun. 14, 2410 (2023).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  14. Xie, L. et al. Screening strategy for developing thermoelectric interface materials. Science 382, 921–928 (2023).

    Article  CAS  PubMed  Google Scholar 

  15. Chu, J. et al. Electrode interface optimization advances conversion efficiency and stability of thermoelectric devices. Nat. Commun. 11, 2723 (2020).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  16. Xie, L. et al. Lead-free and scalable GeTe-based thermoelectric module with an efficiency of 12%. Sci. Adv. 9, eadg7919 (2023).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  17. Fu, Y. et al. Mg3(Bi,Sb)2-based thermoelectric modules for efficient and reliable waste-heat utilization up to 750 K. Energy Environ. Sci. 15, 3265–3274 (2022).

    Article  CAS  Google Scholar 

  18. Liu, W. & Bai, S. Thermoelectric interface materials: a perspective to the challenge of thermoelectric power generation module. J. Materiomics 5, 321–336 (2019).

    Article  Google Scholar 

  19. He, R., Schierning, G. & Nielsch, K. Thermoelectric devices: a review of devices, architectures, and contact optimization. Adv. Mater. Technol. 3, 1700256 (2018).

    Article  Google Scholar 

  20. Liu, W. et al. Understanding of the contact of nanostructured thermoelectric n-type Bi2Te2.7Se0.3 legs for power generation applications. J. Mater. Chem. A 1, 13093–13100 (2013).

    Article  CAS  Google Scholar 

  21. Chen, L., Mei, D., Wang, Y. & Li, Y. Ni barrier in Bi2Te3-based thermoelectric modules for reduced contact resistance and enhanced power generation properties. J. Alloys Compd. 796, 314–320 (2019).

    Article  CAS  Google Scholar 

  22. Zhang, J. et al. Enhanced contact performance and thermal tolerance of Ni/Bi2Te3 joints for Bi2Te3-based thermoelectric devices. ACS Appl. Mater. Interfaces 15, 22705–22713 (2023).

    Article  CAS  PubMed  Google Scholar 

  23. Ying, P. et al. Towards tellurium-free thermoelectric modules for power generation from low-grade heat. Nat. Commun. 12, 1121 (2021).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  24. Liu, Z. et al. Demonstration of ultrahigh thermoelectric efficiency of ∼7.3% in Mg3Sb2/MgAgSb module for low-temperature energy harvesting. Joule 5, 1196–1208 (2021).

    Article  CAS  Google Scholar 

  25. Wu, X. et al. A high performance eco-friendly MgAgSb-based thermoelectric power generation device near phase transition temperatures. Energy Environ. Sci. 17, 2879–2887 (2024).

    Article  CAS  Google Scholar 

  26. Ying, P. et al. A robust thermoelectric module based on MgAgSb/Mg3(Sb,Bi)2 with a conversion efficiency of 8.5% and a maximum cooling of 72 K. Energy Environ. Sci. 15, 2557–2566 (2022).

    Article  CAS  Google Scholar 

  27. Ying, P., Reith, H., Nielsch, K. & He, R. Geometrical optimization and thermal-stability characterization of Te‐free thermoelectric modules based on MgAgSb/Mg3(Bi,Sb)2. Small 18, 2201183 (2022).

    Article  CAS  Google Scholar 

  28. Xie, L. et al. Semiconductor–semimetal composite engineering enabling record-high thermoelectric power density for low‐temperature energy harvesting. Adv. Funct. Mater. 34, 2401763 (2024).

    Article  CAS  Google Scholar 

  29. Hao, F. et al. High efficiency Bi2Te3-based materials and devices for thermoelectric power generation between 100 and 300 °C. Energy Environ. Sci. 9, 3120–3127 (2016).

    Article  CAS  Google Scholar 

  30. Zhu, B. et al. Realizing record high performance in n-type Bi2Te3-based thermoelectric materials. Energy Environ. Sci. 13, 2106–2114 (2020).

    Article  CAS  Google Scholar 

  31. Wu, G. et al. Bi2Te3-based thermoelectric modules for efficient and reliable low-grade heat recovery. Adv. Mater. 36, 2400285 (2024).

    Article  CAS  Google Scholar 

  32. Qu, N. et al. Interfacial design contributing to high conversion efficiency in Mg3(Sb,Bi)2/Bi2Te3 thermoelectric module with superior stability. Adv. Energy Mater. 14, 2302818 (2024).

    Article  CAS  Google Scholar 

  33. Liu, Z. et al. Maximizing the performance of n-type Mg3Bi2 based materials for room-temperature power generation and thermoelectric cooling. Nat. Commun. 13, 1120 (2022).

    Article  PubMed  PubMed Central  Google Scholar 

  34. Liu, R., Xing, Y. & Liao, J. et al. Thermal-inert and ohmic-contact interface for high performance half-Heusler based thermoelectric generator. Nat. Commun. 13, 7738 (2022).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  35. Lu, K. Stabilizing nanostructures in metals using grain and twin boundary architectures. Nat. Rev. Mater. 1, 16019 (2016).

    Article  CAS  Google Scholar 

  36. Wu, X. et al. A general design strategy for thermoelectric interface materials in n-type Mg3Sb1.5Bi0.5 single leg used in TEGs. Acta Mater. 226, 117616 (2022).

    Article  CAS  Google Scholar 

  37. Yin, L. et al. Reliable n-type Mg3.2Sb1.5Bi0.49Te0.01/304 stainless steel junction for thermoelectric applications. Acta Mater. 198, 25–34 (2020).

    Article  CAS  Google Scholar 

  38. Sun, Y. et al. Performance boost for bismuth telluride thermoelectric generator via barrier layer based on low Young’s modulus and particle sliding. Nat. Commun. 14, 8085 (2023).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  39. Wang, Y. et al. Suppression of interfacial diffusion in Mg3Sb2 thermoelectric materials through an Mg4.3Sb3Ni/Mg3.2Sb2Y0.05/Mg4.3Sb3Ni-graded structure. ACS Appl. Mater. Interfaces 14, 33419–33428 (2022).

    Article  CAS  Google Scholar 

  40. Yin, L. et al. CALPHAD accelerated design of advanced full-Zintl thermoelectric device. Nat. Commun. 15, 1468 (2024).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  41. Li, A., Wang, Y. & Li, Y. et al. High performance magnesium-based plastic semiconductors for flexible thermoelectrics. Nat. Commun. 15, 5108 (2024).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  42. Jiang, M. et al. High-efficiency and reliable same-parent thermoelectric modules using Mg3Sb2-based compounds. Natl Sci. Rev. 10, nwad095 (2023).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  43. Lu, X. et al. High-efficiency thermoelectric power generation enabled by homogeneous incorporation of MXene in (Bi, Sb)2Te3 matrix. Adv. Energy Mater. 10, 1902986 (2020).

    Article  CAS  Google Scholar 

  44. Kresse, G. & Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).

    Article  CAS  Google Scholar 

  45. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).

    Article  Google Scholar 

  46. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).

    Article  CAS  PubMed  Google Scholar 

  47. Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188–5192 (1976).

    Article  Google Scholar 

  48. Yoon, M. et al. Reactive boride infusion stabilizes Ni-rich cathodes for lithium-ion batteries. Nat. Energy 6, 362–371 (2021).

    Article  CAS  Google Scholar 

Download references

Acknowledgements

This work was financially supported by the National Natural Science Foundation of China (grant nos U23A20685, 52174343 and 51902333), the Innovation Program of Shanghai Municipal Education Commission (no. 202101070003E00110), Shanghai Committee of Science and Technology (no. 23520710300) and ERC grant 3DmultiFerro (project no. 101141331). Q.Z. extends thanks to U. Lemmer for his valuable scientific support. H.C. acknowledges funding from the National Natural Science Foundation of China (no. 52002406).

Author information

Author notes

  1. These authors contributed equally: Wusheng Zuo, Hongyi Chen, Ziyi Yu, Yuntian Fu.

Authors and Affiliations

  1. State Key Laboratory of Advanced Fiber Materials, College of Materials Science and Engineering, Donghua University, Shanghai, China

    Wusheng Zuo, Yuntian Fu, Yanxiao Cheng, Meng Jiang, Lianjun Wang & Wan Jiang

  2. College of Chemistry and Chemical Engineering, Central South University, Changsha, China

    Hongyi Chen

  3. State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China

    Ziyi Yu, Zhengqian Fu & Fangfang Xu

  4. Leibniz Institute for Solid State and Materials Research Dresden, Dresden, Germany

    Xin Ai

  5. Wuzhen Laboratory, Tongxiang, China

    Shun Wan

  6. Analysis and Testing Center for Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China

    Rui Liu & Guofeng Cheng

  7. Helmholtz Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, Dresden, Germany

    Rui Xu, Qihao Zhang & Denys Makarov

  8. Engineering Research Center of Advanced Glasses Manufacturing Technology, Ministry of Education, Donghua University, Shanghai, China

    Lianjun Wang

  9. Light Technology Institute, Karlsruhe Institute of Technology, Karlsruhe, Germany

    Qihao Zhang

  10. Institute of Functional Materials, Donghua University, Shanghai, China

    Qihao Zhang & Wan Jiang

Authors
  1. Wusheng Zuo
    View author publications

    Search author on:PubMed Google Scholar

  2. Hongyi Chen
    View author publications

    Search author on:PubMed Google Scholar

  3. Ziyi Yu
    View author publications

    Search author on:PubMed Google Scholar

  4. Yuntian Fu
    View author publications

    Search author on:PubMed Google Scholar

  5. Xin Ai
    View author publications

    Search author on:PubMed Google Scholar

  6. Yanxiao Cheng
    View author publications

    Search author on:PubMed Google Scholar

  7. Meng Jiang
    View author publications

    Search author on:PubMed Google Scholar

  8. Shun Wan
    View author publications

    Search author on:PubMed Google Scholar

  9. Zhengqian Fu
    View author publications

    Search author on:PubMed Google Scholar

  10. Rui Liu
    View author publications

    Search author on:PubMed Google Scholar

  11. Guofeng Cheng
    View author publications

    Search author on:PubMed Google Scholar

  12. Rui Xu
    View author publications

    Search author on:PubMed Google Scholar

  13. Lianjun Wang
    View author publications

    Search author on:PubMed Google Scholar

  14. Fangfang Xu
    View author publications

    Search author on:PubMed Google Scholar

  15. Qihao Zhang
    View author publications

    Search author on:PubMed Google Scholar

  16. Denys Makarov
    View author publications

    Search author on:PubMed Google Scholar

  17. Wan Jiang
    View author publications

    Search author on:PubMed Google Scholar

Contributions

W.Z., Q.Z. and L.W. initiated the concept and designed this work. W.Z., Y.F., Y.C., X.A. and M.J. synthesized the samples, carried out the thermoelectric property measurements, performed the interfacial microstructural characterization and fabricated and characterized the thermoelectric modules. W.Z., Y.F. and X.A. performed the finite element simulation. H.C. performed the theoretical calculations. Z.Y., Z.F. and F.X. performed the TEM study. S.W. contributed to the preparation of miniature blocks. R.L. and G.C. performed the X-ray microscopy study. W.Z., Q.Z. and L.W. analysed the results. W.Z. and Q.Z. wrote the initial draft. R.X. and D.M. contributed to improving the writing. W.J. supervised the entire project. All authors contributed to the editing.

Corresponding authors

Correspondence to Lianjun Wang, Fangfang Xu, Qihao Zhang or Wan Jiang.

Ethics declarations

Competing interests

W.Z., L.W. and W.J. have filed a patent application (China Patent application no. 2025101595544) related to this study, which is currently pending. The other authors declare no competing interests.

Peer review

Peer review information

Nature Materials thanks the anonymous reviewers for their contribution to the peer review of this work.

Additional information

Publisher’s note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Supplementary information

Supplementary Information (download PDF )

Supplementary Figs. 1–31, Tables 1–3, Note 1 and Refs. 1 and 2.

Source data

Source Data Fig. 1 (download XLSX )

Module efficiency data plotted in Fig. 1c and thermal cycling test data plotted in Fig. 1d.

Source Data Fig. 2 (download XLSX )

Contact resistivity data plotted in Fig. 2a–d, current–voltage curves data plotted in Fig. 2e and charge density difference data plotted in Fig. 2f,g.

Source Data Fig. 3 (download XLSX )

Elemental line scan data plotted in Fig. 3b,d and atomic migration energy data plotted in Fig. 3e.

Source Data Fig. 4 (download XLSX )

Interfacial shear strength data plotted in Fig. 4a and bonding energy data plotted in Fig. 4c.

Source Data Fig. 5 (download XLSX )

Figure of merit data plotted in Fig. 5a, module efficiency data plotted in Fig. 5b, thermal cycling test data plotted in Fig. 5c and elemental line scan data plotted in Fig. 5e.

Rights and permissions

Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Zuo, W., Chen, H., Yu, Z. et al. Atomic-scale interface strengthening unlocks efficient and durable Mg-based thermoelectric devices. Nat. Mater. 24, 735–742 (2025). https://doi.org/10.1038/s41563-025-02167-0

Download citation

  • Received:

  • Accepted:

  • Published:

  • Version of record:

  • Issue date:

  • DOI: https://doi.org/10.1038/s41563-025-02167-0

This article is cited by

Search

Advanced search

Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing