Free energy surface of initial cap formation in carbon nanotube growth

Initial cap formation is an important process of carbon nanotube (CNT) growth where a hexagonal carbon network is lifted off from the catalyst surface. In this study, free energy surface (FES) of initial cap formation in the CNT growth is investigated by metadynamics simulation. A two-dimensional co...

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Detalles Bibliográficos
Autores principales: Fukuhara, Satoru, Shibuta, Yasushi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417703/
https://www.ncbi.nlm.nih.gov/pubmed/36133938
http://dx.doi.org/10.1039/d1na00377a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417703/
https://www.ncbi.nlm.nih.gov/pubmed/36133938
http://dx.doi.org/10.1039/d1na00377a

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