New Insights on Singlet Oxygen Release from Li-Air Battery Cathode: Periodic DFT Versus CASPT2 Embedded Cluster Calculations

[Image: see text] Li-air batteries are a promising energy storage technology for large-scale applications, but the release of highly reactive singlet oxygen ((1)O(2)) during battery operation represents a main concern that sensibly limits their effective deployment. An in-depth understanding of the...

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Detalles Bibliográficos
Autores principales: Fasulo, Francesca, Massaro, Arianna, Muñoz-García, Ana B., Pavone, Michele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413853/
https://www.ncbi.nlm.nih.gov/pubmed/37433035
http://dx.doi.org/10.1021/acs.jctc.3c00393

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413853/
https://www.ncbi.nlm.nih.gov/pubmed/37433035
http://dx.doi.org/10.1021/acs.jctc.3c00393

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