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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |