Structural Design via Pressure Enables zT > 1 for CuInTe2 Chalcopyrites (2025)

    Functional Inorganic Materials and Devices

    • Yaqiang Wang

      Yaqiang Wang

      School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China

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    • Jiaman Wei

      Jiaman Wei

      School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China

      More by Jiaman Wei

    • Yi Wu

      Yi Wu

      School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China

      More by Yi Wu

    • Wei Yu

      Wei Yu

      School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China

      More by Wei Yu

    • Xin Guo*

      Xin Guo

      School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China

      Engineering Research Center of Optoelectronic Functional Materials, Ministry of Education, Changchun 130022, China

      *E-mail: [emailprotected]

      More by Xin Guo

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    ACS Applied Materials & Interfaces

    Cite this: ACS Appl. Mater. Interfaces 2025, XXXX, XXX, XXX-XXX

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    https://pubs.acs.org/doi/10.1021/acsami.5c05309

    Published April 16, 2025

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    Structural Design via Pressure Enables zT > 1 for CuInTe2 Chalcopyrites (3)

    Crystalline structures, as the basics of materials, are tightly associated with transport properties. Designing a structure through doping, alloying, and phase engineering to optimize thermoelectric transport properties has always been a crucial strategy in thermoelectrics. In this work, hybrid architectures containing an inherently long-range, nearly cubic framework as well as localized short-range noncubic lattice distortions, are designed in the pristine CuInTe2 chalcopyrites by a unique high-pressure technology. As a result, the long-range order structures motivate degeneracy in electronic bands, markedly improving the electrical transport properties. Meanwhile, suppressed lattice thermal conductivity due to strong phonon scattering is achieved by the short-range disorder structures composed of dense dislocations introduced by pressure. The above incorporation effects lead to a distinguished thermoelectric performance of zT = 1.13 at 773 K for pristine CuInTe2 prepared under 3 GPa. This study demonstrates the bright potential of high pressure as a significant approach in designing bespoke crystalline structures for tuning thermoelectric transport properties.

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    • Chemical structure
    • Crystal structure
    • Diffraction
    • Electronic structure
    • Lattices

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    ACS Applied Materials & Interfaces

    Cite this: ACS Appl. Mater. Interfaces 2025, XXXX, XXX, XXX-XXX

    Click to copy citationCitation copied!

    Published April 16, 2025

    Publication History

    • Received

    • Accepted

    • Revised

    • Published

      online

    © 2025 American Chemical Society

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