A Computational Study on Halogen/Halide Redox Mediators and Their Role in (1)O(2) Release in Aprotic Li–O(2) Batteries

[Image: see text] We present a computational study on the redox reactions of small clusters of Li superoxide and peroxide in the presence of halogen/halide redox mediators. The study is based on DFT calculations with a double hybrid functional and an implicit solvent model. It shows that iodine is l...

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Detalles Bibliográficos
Autores principales: Pierini, Adriano, Petrongari, Angelica, Piacentini, Vanessa, Brutti, Sergio, Bodo, Enrico
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10641837/
https://www.ncbi.nlm.nih.gov/pubmed/37885210
http://dx.doi.org/10.1021/acs.jpca.3c05246

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10641837/
https://www.ncbi.nlm.nih.gov/pubmed/37885210
http://dx.doi.org/10.1021/acs.jpca.3c05246

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