Solvation Environment and Interface Dynamics of Li2B12H12 and Li2B12F12 Electrolytes Uncovered by Theory and Operando Optical and FTIR Spectroelectrochemistry - Simonyan, Hovnan; Zhong, Linda; Green, Matthew M.; Movsesyan, Khoren; Fraire, Andrew; Ward, Patrick A.; Lau, Kah Chun; Teprovich, Joseph A. (ACS applied materials & interfaces, 2024)
Keywords: carbonates; chemical species; density functional theory; electrochemistry; electrodes; electrolytes; lithium; molecular dynamics; propylene; solvation; species; spectroscopy; Surfaces, Interfaces, and Applications; thermal stability; dendrite; closo-borate; electrode−electrolyte interface; lithium-ion battery; electrolyte; density functional theory