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- Title
Mechanism of carbon nanotubes unzipping into graphene ribbons.
- Authors
Rangel, Norma L; Sotelo, Juan C; Seminario, Jorge M
- Abstract
The fabrication of graphene nanoribbons from carbon nanotubes (CNTs) treated with potassium permanganate in a concentrated sulfuric acid solution has been reported by Kosynkin et al. [Nature (London) 458, 872 (2009)]. Here we report ab initio density functional theory calculations of such unzipping process. We find that the unzipping starts with the potassium permanganate attacking one of the internal C-C bonds of the CNT, stretching and breaking it. The created defect weakens neighboring bonds along the length of the CNT, making them energetically prone to be attacked too.
- Publication
The Journal of chemical physics, 2009, Vol 131, Issue 3, p031105
- ISSN
1089-7690
- Publication type
Journal Article
- DOI
10.1063/1.3170926