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Science· 2025Q1

Anion sublattice design enables superionic conductivity in crystalline oxyhalides

Feipeng Zhao, Shumin Zhang, Shuo Wang, Joel W. Reid et al.

Short summary

A mixed-anion crystalline oxyhalide, Li3Ta3O4Cl10 (LTOC), achieves superionic conductivity (up to 13.7 mS/cm at 25°C) by creating continuous Li-ion migration pathways through its unique spiral chains of oxygen and chlorine atoms.

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Key points

  • Developed crystalline Li3Ta3O4Cl10 (LTOC) using a mixed-anion design strategy.
  • Achieved ionic conductivity up to 13.7 mS/cm at 25°C.
  • The structure features mixed-anion spiral chains (oxygen and chlorine) inducing continuous Li-ion migration pathways.
  • Demonstrated cathode compatibility enabling solid-state batteries to operate at 4.9 V vs. Li/Li+ and down to -50°C.

AI-generated from the title and abstract; the full text is not read.

Abstract

Solid-state batteries are attractive energy storage systems as a result of their inherent safety, but their development hinges on advanced solid-state electrolytes (SSEs). Most SSEs remain largely confined to single-anion systems (e.g., sulfides, oxides, halides, and polymers). Through mixed-anion design strategy, we develop crystalline Li 3 Ta 3 O 4 Cl 10 (LTOC) and its derivatives with excellent ionic conductivities (up to 13.7 millisiemens per centimeter at 25°C) and electrochemical stability. The LTOC structure features mixed-anion spiral chains, consisting of corner-shared oxygen and terminal chlorine atoms, which induces continuous “tetrahedron-tetrahedron” Li-ion migration pathways with low energy barriers. Additionally, LTOC demonstrates holistic cathode compatibility, enabling solid-state batteries operation at 4.9 volts versus Li/Li + and low temperature, down to −50°C. These findings describe a promising class of superionic conductors for high-performance solid-state batteries.

The authors' abstract, as published at the source. Science, 2025 · DOI ↗

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Field: Electrical and Electronic Engineering

Electrical and Electronic EngineeringEngineering