Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

Electrochemical stability windows of electrolytes largely determine the limitations of operating regimes of lithium-ion batteries, but the degradation mechanisms are difficult to characterize and poorly understood. Using computational quantum chemistry to investigate the oxidative decomposition that...

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Publicat a:Nat Commun
Autors principals: Fadel, Eric R., Faglioni, Francesco, Samsonidze, Georgy, Molinari, Nicola, Merinov, Boris V., Goddard III, William A., Grossman, Jeffrey C., Mailoa, Jonathan P., Kozinsky, Boris
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group UK 2019
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Article
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6659707/
https://ncbi.nlm.nih.gov/pubmed/31350394
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-019-11317-3
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