Superionic lithium transport via multiple coordination environments defined by two-anion packing

• 成果类型: Article
• 署名作者: Han, Guopeng; Vasylenko, Andrij; Daniels, Luke M.; Collins, Chris M.; Corti, Lucia; Chen, Ruiyong; Niu, Hongjun; Manning, Troy D.; Antypov, Dmytro; Dyer, Matthew S.; Lim, Jungwoo; Zanella, Marco; Sonni, Manel; Bahri, Mounib; Jo, Hongil; Dang, Yun; Robertson, Craig M.; Blanc, Frederic; Hardwick, Laurence J.; Browning, Nigel D.; Claridge, John B.; Rosseinsky, Matthew J.
• 署名单位: University of Liverpool; University of Liverpool; University of Liverpool; University of Liverpool; University of Liverpool
• 刊物名称: SCIENCE
• ISSN/ISSBN: 0036-13476
• DOI: 10.1126/science.adh5115
• 发表日期: 2024-02-16
• 页码: 739-745
• 关键词: li-ion conductivity; crystal-structure; molecular-dynamics; nmr; li10gep2s12; electrolytes; diffusion; ORDER; argyrodites; chemistry

摘要

Fast cation transport in solids underpins energy storage. Materials design has focused on structures that can define transport pathways with minimal cation coordination change, restricting attention to a small part of chemical space. Motivated by the greater structural diversity of binary intermetallics than that of the metallic elements, we used two anions to build a pathway for three-dimensional superionic lithium ion conductivity that exploits multiple cation coordination environments. Li7Si2S7I is a pure lithium ion conductor created by an ordering of sulphide and iodide that combines elements of hexagonal and cubic close-packing analogously to the structure of NiZr. The resulting diverse network of lithium positions with distinct geometries and anion coordination chemistries affords low barriers to transport, opening a large structural space for high cation conductivity.