Density Functional Theory Investigations of Carbon Nanotube Unzipping on Cu(111)
The mechanism of carbon nanotube unzipping on a Cu(111) surface was investigated using density functional theory calculations. Optimized structures of armchair and zigzag carbon nanotubes of various sizes were considered, and their energies were compared to those of corresponding planar graphene nan...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI AG
2024-12-01
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| Series: | Surfaces |
| Assuntos: | |
| Acceso en liña: | https://www.mdpi.com/2571-9637/7/4/69 |
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