Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Cation and anion substitutions in Li 2 S have improved their performance as high-capacity cathodes, but electron and ion transport in solid solutions of Li 2 S have not been fully understood due to intricate site disorder within the antifluorite structure. Herein, neutron diffraction identified a unique disordered structure of Cu-substituted Li 2 S (Li 1.7 Cu 0.15 S) within an antifluorite framework where Cu occupies an octahedral site in addition to the canonical tetrahedral one. This disorder leads to partial sulfur oxidation and facilitates Li + transport, as revealed by X-ray absorption, impedance, and magnetic measurements. Density functional theory calculations support the entropically stabilized nature of this disordered structure and shed insight on the influence of Cu substitution on electronic structure, vacancy formation, and ion transport. The proposed dual-site occupation suggests a mechanism for the improved performance of Li 2 S-based cathodes with cation substitutions.
Source: Chemistry of Materials
Authors: Akira Miura, Yi-Ting Cheng, Takenaka Masahiro, Yusuke Nambu, Shunsuke Sasaki, Masanori Nagao, Takato Mitsudome, Yuta Fujii, Kiyoharu Tadanaga, Nobuya Machida, Christopher J. Bartel
Institutions: Hokkaido University, University of Minnesota, Konan University, Kyoto University, Japan Science and Technology Agency, Institute for Integrated Radiation and Nuclear Science, Kyoto University, Centre National de la Recherche Scientifique, Institut des Matériaux Jean Rouxel, Nantes Université, University of Yamanashi, The University of Osaka
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: G1138519407, G2084276377, G2170536487, G2504945880, Novel dynamics and transport phenomena of Z2 vortex, G554407956, Emerging new functional materials by nitride synthesis under ambient condition, G8304069163, G8433778721, 不可逆な反応過程を利用した全固体リチウム二次電池の高性能化手法の探索, Microscopic understanding of conventional spintronics materials and establishment of next-generation type spintronics mechanism through polarised neutron scattering
OpenAlex ID: W7102724888