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Puget, M., Shcherbakov, V., Denisov, S., Moreau, P., Dognon, J.-P., Mostafavi, M. & Le Caër, S. (2021) Reaction Mechanisms of the Degradation of Fluoroethylene Carbonate, an Additive of Lithium-Ion Batteries, Unraveled by Radiation Chemistry. Chemistry – A European Journal, 27 8185–8194. 
Added by: Richard Baschera (2022-08-18 07:22:37)   Last edited by: Richard Baschera (2022-08-18 07:24:28)
Type de référence: Article
DOI: 10.1002/chem.202100562
Numéro d'identification (ISBN etc.): 1521-3765
Clé BibTeX: Puget2021
Voir tous les détails bibliographiques
Catégories: ST2E
Mots-clés: Density functional calculations, Lithium-ion batteries, radiolysis, reaction mechanisms
Créateurs: Denisov, Dognon, Le Caër, Moreau, Mostafavi, Puget, Shcherbakov
Collection: Chemistry – A European Journal
Consultations : 14/64
Indice de consultation : 8%
Indice de popularité : 2%
Liens URLs     https://onlinelibr ... 002/chem.202100562
Résumé     
Numerous additives are used in the electrolytes of lithium-ion batteries, especially for the formation of an efficient solid electrolyte interphase at the surface of the electrodes. Understanding the degradation processes of these compounds is thus important; they can be seen through radiolysis. In the case of fluoroethylene carbonate (FEC), picosecond pulse radiolysis experiments evidenced the formation of FEC.−. This radical is stabilized in neat FEC, whereas the ring opens to form more stable radical anions when FEC is a solute in other solvents, as confirmed by quantum chemistry calculations. In neat FEC, pre-solvated electrons primarily undergo attachment rather than solvation. On long timescales, the gases produced (H2, CO, and CO2) were quantified. A reaction scheme for both the oxidizing and reducing pathways at stake in irradiated FEC is proposed. This work shows that the nature of the primary species formed in FEC depends on the amount of FEC in the solution.
  
Notes     
_eprint: https://onlinelibrary.wiley.com/doi/pdf/10.1002/chem.202100562
  
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