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Realigning the Chemistry and Parameterization of Lithium‐Sulfur Battery Models to Accommodate Emerging Experimental Evidence and Cell Configurations
Author(s) -
Parke Caitlin D.,
Subramaniam Akshay,
Subramanian Venkat R.,
Schwartz Daniel T.
Publication year - 2021
Publication title -
chemelectrochem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.182
H-Index - 59
ISSN - 2196-0216
DOI - 10.1002/celc.202001575
Subject(s) - electrolyte , anode , chemistry , faraday efficiency , dissociation (chemistry) , battery (electricity) , sulfur , lithium–sulfur battery , electrochemistry , context (archaeology) , electrode , inorganic chemistry , thermodynamics , organic chemistry , physics , paleontology , power (physics) , biology
Experimental insights into lithium‐sulfur (LiS) battery chemistry have resulted in practical improvements in cell coulombic efficiency, sulfur utilization, and cycle life. However, optimization of this complex battery chemistry requires experimentally aligned modeling tools. A porous electrode theory‐based model incorporating key electrolyte dissociation chemistry is developed for the LiS cell. The proposed chemistry produces a radical anion species that is widely observed spectroscopically in LiS electrolytes. We explore the implications of radical anion formation on the current‐voltage behavior within the context of a state‐of‐art high energy density LiS cell with low electrolyte:sulfur (E/S) ratio and ideally‐protected anode. Parameters describing the dissociation reaction equilibrium and kinetics are shown to alter the electrolyte speciation in ways that can be linked to observations from LiS electrolyte engineering experiments.