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Exploring Metastable Phases During Lithiation of Organic Battery Electrode Materials
In this work, the Li‐ion insertion mechanism in organic electrode materials is investigated through the lens of atomic‐scale models based on first‐principles theory. Starting with a structural analysis, the interplay of density functional theory with evolutionary and potential‐mapping algorithms is...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9321076/ https://www.ncbi.nlm.nih.gov/pubmed/35389531 http://dx.doi.org/10.1002/cssc.202200354 |