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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...
Autores principales: | Fukuhara, Satoru, Shibuta, Yasushi |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
RSC
2021
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Materias: | |
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 |
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