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Molecular dynamics study of lithium intercalation into –OH functionalized carbon nanotube bundle
The influence of hydroxyl group (–OH) on carbon nanotube (CNT) interacting with lithium (Li) ions has been investigated via ab initio molecular dynamic (MD) simulations. Compared with the pure CNT, a higher efficiency has been observed for lithium intercalating into CNT-OH bundle. At lower Li ion de...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9198013/ https://www.ncbi.nlm.nih.gov/pubmed/35701482 http://dx.doi.org/10.1038/s41598-022-13509-2 |