Anion sublattice design enables superionic conductivity in crystalline oxyhalides
- Feipeng Zhao
- Shumin Zhang
- Shuo Wang
- Joel W. Reid
- Wei Xia
- Jue Liu
- Graham King
- James A. Kaduk
- Jianwen Liang
- Jing Luo
- Yingjie Gao
- Feipeng Yang
- Yang Zhao
- Weihan Li
- Sandamini H. Alahakoon
- Jinghua Guo
- Yining Huang
- Tsun-Kong Sham
- Yifei Mo
- Xueliang Sun
2025-10-09
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.