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...

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Detalles Bibliográficos
Autores principales: Zheng, Bin, Dong, Huaze, Zhu, Jinmiao, Wang, Yanping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
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

Internet

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

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