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Argyrodite-type advanced lithium conductors and transport mechanisms beyond paddle-wheel effect

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  • Hong Fang

    (Virginia Commonwealth University)

  • Puru Jena

    (Virginia Commonwealth University)

Abstract

Development of next-generation solid-state Li-ion batteries requires not only electrolytes with high room-temperature (RT) ionic conductivities but also a fundamental understanding of the ionic transport in solids. In spite of considerable work, only a few lithium conductors are known with the highest RT ionic conductivities ~ 0.01 S/cm and the lowest activation energies ~0.2 eV. New design strategy and novel ionic conduction mechanism are needed to expand the pool of high-performance lithium conductors as well as achieve even higher RT ionic conductivities. Here, we theoretically show that lithium conductors with RT ionic conductivity over 0.1 S/cm and low activation energies ~ 0.1 eV can be achieved by incorporating cluster-dynamics into an argyrodite structure. The extraordinary superionic metrics are supported by conduction mechanism characterized as a relay between local and long-range ionic diffusions, as well as correlational dynamics beyond the paddle-wheel effect.

Suggested Citation

  • Hong Fang & Puru Jena, 2022. "Argyrodite-type advanced lithium conductors and transport mechanisms beyond paddle-wheel effect," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-29769-5
    DOI: 10.1038/s41467-022-29769-5
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    3. Jeffrey G. Smith & Donald J. Siegel, 2020. "Low-temperature paddlewheel effect in glassy solid electrolytes," Nature Communications, Nature, vol. 11(1), pages 1-11, December.
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    1. Jingyang Wang & Tanjin He & Xiaochen Yang & Zijian Cai & Yan Wang & Valentina Lacivita & Haegyeom Kim & Bin Ouyang & Gerbrand Ceder, 2023. "Design principles for NASICON super-ionic conductors," Nature Communications, Nature, vol. 14(1), pages 1-11, December.

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