Stability of single-walled carbon nanotubes toward covalent bonding between the zigzag edges
Edges of single-walled carbon nanotubes (SWCNTs) have unique electronic structure and chemical reactivity that have not been fully explored yet. With help of the DFT and GFN2-xTB electronic structure calculations, we demonstrate for the first time that the zigzag edges of carbon nanotubes are capabl...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-10-01
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| Series: | Carbon Trends |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667056921000912 |