Unlocking Li superionic conductivity in face-centred cubic oxides via face-sharing configurations

作者：Yu Chen, Zhengyan Lun, Xinye Zhao, K. Koirala, Linze Li, Yingzhi Sun, Christopher A O'Keefe, Xiaochen Yang, Zijian Cai, Chongmin Wang, Huiwen Ji, Clare P. Grey, Bin Ouyang, G. Ceder · 发表于：Nature Materials · 年份：2024 · DOI：10.1038/s41563-024-01800-8 · 被引用次数：57 · 研究领域：Medicine

Oxides with a face-centred cubic (fcc) anion sublattice are generally not considered as solid-state electrolytes as the structural framework is thought to be unfavourable for lithium (Li) superionic conduction. Here we demonstrate Li superionic conductivity in fcc-type oxides in which face-sharing Li configurations have been created through cation over-stoichiometry in rocksalt-type lattices via excess Li. We find that the face-sharing Li configurations create a novel spinel with unconventional stoichiometry and raise the energy of Li, thereby promoting fast Li-ion conduction. The over-stoichiometric Li–In–Sn–O compound exhibits a total Li superionic conductivity of 3.38 × 10−4 S cm−1 at room temperature with a low migration barrier of 255 meV. Our work unlocks the potential of designing Li superionic conductors in a prototypical structural framework with vast chemical flexibility, providing fertile ground for discovering new solid-state electrolytes. Oxides with a face-centred cubic anion sublattice are generally not considered as solid-state electrolytes. Li superionic conductivity in face-centred cubic oxides with face-sharing Li configurations have now been created through cation over-stoichiometry in rocksalt-type lattices via excess Li.