Boosting Ion Transport and Stability in Halide Solid Electrolytes via S and F Codoping
Journal article, 2025
Structural and compositional modification of solid-state electrolytes (SSEs) is a common approach to improve ionic conductivity and interfacial stability, yet the mechanisms remain unclear. Here, we studied Li2ZrCl6 (LZC) codoped with sulfur (S) and fluorine (F). X-ray and neutron diffraction with bond valence site energy (BVSE) simulations reveal that codopant-induced lattice distortion facilitates ion transport. The S/F codoped sample achieves a room-temperature ionic conductivity of 0.51 mS cm-1, twice that of pristine LZC (0.26 mS cm-1). Advanced characterizations further show that S and F participate in forming the solid electrolyte interphase (SEI), enhancing the electrode interfacial stability. As a result, solid-state batteries with the codoped SSE deliver capacity retentions of 97.1% at 0.1 C and 82.8% at 0.5 C. This study demonstrates the synergistic effects of structural modulation on ionic conduction and SEI formation, providing insights for designing high-performance SSEs.
Inorganic compounds
Halogens
Batteries
Solid electrolytes
Ionic conductivity
Author
Priya Ganesan
Helmholtz Association of German Research Centres
Karlsruhe Institute of Technology (KIT)
Ramon Zimmermanns
Karlsruhe Institute of Technology (KIT)
Helmholtz Association of German Research Centres
Guillaume Navallon
Helmholtz Association of German Research Centres
Karlsruhe Institute of Technology (KIT)
Yang Hu
Karlsruhe Institute of Technology (KIT)
Helmholtz Association of German Research Centres
Thomas Diemant
Helmholtz Association of German Research Centres
Karlsruhe Institute of Technology (KIT)
Gabriel J. Cuello
Institut Laue-Langevin
Ines Puente Orench
Institut Laue-Langevin
Blanka Detlefs
European Synchrotron Radiation Facility (ESRF)
Ritambhara Gond
Chalmers, Electrical Engineering, Electric Power Engineering
Alberto Varzi
Helmholtz Association of German Research Centres
Karlsruhe Institute of Technology (KIT)
Jianneng Liang
Karlsruhe Institute of Technology (KIT)
Helmholtz Association of German Research Centres
Maximilian Fichtner
Karlsruhe Institute of Technology (KIT)
Helmholtz Association of German Research Centres
ACS Energy Letters
23808195 (eISSN)
Vol. 10 11Subject Categories (SSIF 2025)
Materials Chemistry
Inorganic Chemistry
DOI
10.1021/acsenergylett.5c02729