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...

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Detalles Bibliográficos
Autores principales: Carvalho, Rodrigo P., Alhanash, Mirna, Marchiori, Cleber F. N., Brandell, Daniel, Araujo, C. Moyses
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Research Articles
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

Internet

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

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