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- W2239465537 abstract "Challenges with the quantum chemistry based-screening of electrochemical stability of solvents and salts with potential applications in lithium batteries are discussed. Initial high throughput screening of carbonate and phosphate-based electrolyte solvents provided insight into first and second reduction and oxidation potentials and reorganization energies of these solvents. It has been found that it was important to include a lithium cation in the screening of semifluorinated solvents. Two reduction pathways has been found for lithium complexed with semifluorinated solvents and salts such as lithium bis(fluorosulfonyl)imide (LiFSI): the low rate defluorination reaction occurring at high potentials and fast solvent or anion reduction occurring at significantly lower potentials. A spontaneous deprotonation of carbonate solvents at the surface of the completely de-lithiated LiNi 0.5 Mn 1.5 O 4 cathode has been found." @default.
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- W2239465537 date "2015-09-09" @default.
- W2239465537 modified "2023-10-14" @default.
- W2239465537 title "(Invited) Challenges with Quantum Chemistry-Based Screening of Electrochemical Stability of Lithium Battery Electrolytes" @default.
- W2239465537 doi "https://doi.org/10.1149/06901.0113ecst" @default.
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