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What dictates soft clay-like lithium superionic conductor formation from rigid salts mixture

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  • Sunny Gupta

    (University of California Berkeley
    Lawrence Berkeley National Laboratory)

  • Xiaochen Yang

    (University of California Berkeley
    Lawrence Berkeley National Laboratory)

  • Gerbrand Ceder

    (University of California Berkeley
    Lawrence Berkeley National Laboratory)

Abstract

Soft clay-like Li-superionic conductors, integral to realizing all-solid-state batteries, have been recently synthesized by mixing rigid-salts. Here, through computational and experimental analysis, we clarify how a soft clay-like material can be created from a mixture of rigid-salts. Using molecular dynamics simulations with a deep learning-based interatomic potential energy model, we uncover the microscopic features responsible for soft clay-formation from ionic solid mixtures. We find that salt mixtures capable of forming molecular solid units on anion exchange, along with the slow kinetics of such reactions, are key to soft-clay formation. Molecular solid units serve as sites for shear transformation zones, and their inherent softness enables plasticity at low stress. Extended X-ray absorption fine structure spectroscopy confirms the formation of molecular solid units. A general strategy for creating soft clay-like materials from ionic solid mixtures is formulated.

Suggested Citation

  • Sunny Gupta & Xiaochen Yang & Gerbrand Ceder, 2023. "What dictates soft clay-like lithium superionic conductor formation from rigid salts mixture," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
  • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-42538-2
    DOI: 10.1038/s41467-023-42538-2
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    References listed on IDEAS

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    1. Jürgen Janek & Wolfgang G. Zeier, 2016. "A solid future for battery development," Nature Energy, Nature, vol. 1(9), pages 1-4, September.
    2. Patrick Charbonneau & Jorge Kurchan & Giorgio Parisi & Pierfrancesco Urbani & Francesco Zamponi, 2014. "Fractal free energy landscapes in structural glasses," Nature Communications, Nature, vol. 5(1), pages 1-6, September.
    3. Pablo G. Debenedetti & Frank H. Stillinger, 2001. "Supercooled liquids and the glass transition," Nature, Nature, vol. 410(6825), pages 259-267, March.
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