Thermodynamics and Kinetics of the Cathode-Electrolyte Interface in All-Solid-State Li-S Batteries.

ABSTRACT: Lithium-sulfur batteries (LSBs) are among the most promising energy storage technologies due to the low cost and high abundance of S. However, the issue of polysulfide shuttling with its corresponding capacity fading is a major impediment to its commercialization. Replacing traditional liquid electrolytes with solid-state electrolytes (SEs) is a potential solution. Here, we present a comprehensive study of the thermodynamics and kinetics of the cathode-electrolyte interface in all-solid-state LSBs using density functional theory based calculations and a machine learning interatomic potential. We find that among the major solid electrolyte chemistries (oxides, sulfides, nitrides, and halides), sulfide SEs are generally predicted to be the most stable against the S₈ cathode, while

SUBMITTER: Holekevi Chandrappa ML 

PROVIDER: S-EPMC9546513 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature