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Study of the Electronic Structure of Alkali Peroxides and Their Role in the Chemistry of Metal–Oxygen Batteries
[Image: see text] We use a multiconfigurational and correlated ab initio method to investigate the fundamental electronic properties of the peroxide MO(2)(–) (M = Li and Na) trimer to provide new insights into the rather complex chemistry of aprotic metal–O(2) batteries. These electrochemical system...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8558866/ https://www.ncbi.nlm.nih.gov/pubmed/34649438 http://dx.doi.org/10.1021/acs.jpca.1c07255 |