2 February 2024 | Yu Chen, Zhengyan Lun, Xinye Zhao, Krishna Prasad Koirala, Linze Li, Yingzhi Sun, Christopher A. O'Keefe, Xiaochen Yang, Zijian Cai, Chongmin Wang, Huiwen Ji, Clare P. Grey, Bin Ouyang, Gerbrand Ceder
The study demonstrates the creation of lithium (Li) superionic conductivity in face-centred cubic (fcc) oxides through the introduction of face-sharing Li configurations via cation over-stoichiometry in rocksalt-type lattices. The researchers synthesized a Li–In–Sn–O compound (o-LISO) with excess Li, which exhibits a total Li superionic conductivity of 3.38 × 10^4 S cm^-1 at room temperature and a low migration barrier of 255 meV. This is achieved by forming a novel spinel-like structure with unconventional stoichiometry, which raises the energy of Li ions and promotes fast Li-ion conduction. The work opens up new possibilities for designing Li superionic conductors within the fcc structural framework, providing a fertile ground for discovering new solid-state electrolytes. The study also explores the thermodynamic stability of over-stoichiometric rocksalt-type oxides composed of various metal species, offering guidelines for future research in this area.The study demonstrates the creation of lithium (Li) superionic conductivity in face-centred cubic (fcc) oxides through the introduction of face-sharing Li configurations via cation over-stoichiometry in rocksalt-type lattices. The researchers synthesized a Li–In–Sn–O compound (o-LISO) with excess Li, which exhibits a total Li superionic conductivity of 3.38 × 10^4 S cm^-1 at room temperature and a low migration barrier of 255 meV. This is achieved by forming a novel spinel-like structure with unconventional stoichiometry, which raises the energy of Li ions and promotes fast Li-ion conduction. The work opens up new possibilities for designing Li superionic conductors within the fcc structural framework, providing a fertile ground for discovering new solid-state electrolytes. The study also explores the thermodynamic stability of over-stoichiometric rocksalt-type oxides composed of various metal species, offering guidelines for future research in this area.