Hydrogen-induced Unzipping of Single-Walled Carbon Nanotubes
| dc.creator | Scudder, Henry | |
| dc.creator | Lu, Gang | |
| dc.creator | Kioussis, Nicholas | |
| dc.date | 2002-08-28 | |
| dc.date | 2002-08-31 | |
| dc.date.accessioned | 2026-07-07T02:47:01Z | |
| dc.date.available | 2026-07-07T02:47:01Z | |
| dc.description | The chemisorption of atomic hydrogen on the single-walled armchair carbon nanotube is studied with ab initio calculations. A single H atom is found to be chemisorbed on both the inside and outside wall of the nanotube. The binding energy of H adsorption at the exterior of the nanotube is much greater than that at the interior of the nanotube. For the first time, we predict that two rows of H atoms chemisorbed on selective sites exterior to the nanotube can break the nearest-neighbor C-C bond of the nanotube through the concerted formation of C-H bonds, leading to the unzipping of the nanotube wall. We provide insights into the underlying electronic structure responsible for the H-induced unzipping of the nanotube, lending strong support to the recent experimental observations for the coalescence of single-walled nanotubes in the presence of atomic hydrogen. Interestingly, H atoms chemisorbed inside the nanotube do not lead to the breaking of the C-C bonds. | |
| dc.description | Correction of a few typos | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0208542 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0208542 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/19849 | |
| dc.subject | Materials Science | |
| dc.title | Hydrogen-induced Unzipping of Single-Walled Carbon Nanotubes | |
| dc.type | text |