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Design and synthesis of the superionic conductor Na10SnP2S12

Author

Listed:
  • William D. Richards

    (Massachusetts Institute of Technology)

  • Tomoyuki Tsujimura

    (Samsung R&D Institute Japan)

  • Lincoln J. Miara

    (Samsung Advanced Institute of Technology—USA)

  • Yan Wang

    (Massachusetts Institute of Technology)

  • Jae Chul Kim

    (Massachusetts Institute of Technology
    Lawrence Berkeley National Laboratory)

  • Shyue Ping Ong

    (University of California San Diego)

  • Ichiro Uechi

    (Samsung R&D Institute Japan)

  • Naoki Suzuki

    (Samsung R&D Institute Japan)

  • Gerbrand Ceder

    (Massachusetts Institute of Technology
    Lawrence Berkeley National Laboratory
    University of California Berkeley)

Abstract

Sodium-ion batteries are emerging as candidates for large-scale energy storage due to their low cost and the wide variety of cathode materials available. As battery size and adoption in critical applications increases, safety concerns are resurfacing due to the inherent flammability of organic electrolytes currently in use in both lithium and sodium battery chemistries. Development of solid-state batteries with ionic electrolytes eliminates this concern, while also allowing novel device architectures and potentially improving cycle life. Here we report the computation-assisted discovery and synthesis of a high-performance solid-state electrolyte material: Na10SnP2S12, with room temperature ionic conductivity of 0.4 mS cm−1 rivalling the conductivity of the best sodium sulfide solid electrolytes to date. We also computationally investigate the variants of this compound where tin is substituted by germanium or silicon and find that the latter may achieve even higher conductivity.

Suggested Citation

  • William D. Richards & Tomoyuki Tsujimura & Lincoln J. Miara & Yan Wang & Jae Chul Kim & Shyue Ping Ong & Ichiro Uechi & Naoki Suzuki & Gerbrand Ceder, 2016. "Design and synthesis of the superionic conductor Na10SnP2S12," Nature Communications, Nature, vol. 7(1), pages 1-8, April.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms11009
    DOI: 10.1038/ncomms11009
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    Cited by:

    1. Albert Musaelian & Simon Batzner & Anders Johansson & Lixin Sun & Cameron J. Owen & Mordechai Kornbluth & Boris Kozinsky, 2023. "Learning local equivariant representations for large-scale atomistic dynamics," Nature Communications, Nature, vol. 14(1), pages 1-15, December.
    2. Chengyu Fu & Yifan Li & Wenjie Xu & Xuyong Feng & Weijian Gu & Jue Liu & Wenwen Deng & Wei Wang & A. M. Milinda Abeykoon & Laisuo Su & Lingyun Zhu & Xiaojun Wu & Hongfa Xiang, 2024. "LaCl3-based sodium halide solid electrolytes with high ionic conductivity for all-solid-state batteries," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    3. Simon Batzner & Albert Musaelian & Lixin Sun & Mario Geiger & Jonathan P. Mailoa & Mordechai Kornbluth & Nicola Molinari & Tess E. Smidt & Boris Kozinsky, 2022. "E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    4. Shuo Wang & Jiamin Fu & Yunsheng Liu & Ramanuja Srinivasan Saravanan & Jing Luo & Sixu Deng & Tsun-Kong Sham & Xueliang Sun & Yifei Mo, 2023. "Design principles for sodium superionic conductors," Nature Communications, Nature, vol. 14(1), pages 1-9, December.

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