Mechanism of carbon nanotubes unzipping into graphene ribbons. Academic Article

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.

authors

• Seminario, Jorge

published proceedings

• J Chem Phys

altmetric score

• 15

author list (cited authors)

• Rangel, N. L., Sotelo, J. C., & Seminario, J. M.

citation count

• 99

complete list of authors

• Rangel, Norma L||Sotelo, Juan C||Seminario, Jorge M

publication date

• July 2009

publisher

• AIP Publishing  Publisher

published in

• Journal of Chemical Physics  Journal

keywords

• Computer Simulation
• Furans
• Models, Chemical
• Nanotubes, Carbon
• Potassium Permanganate
• Quantum Theory
• Solutions
• Sulfuric Acids

PubMed Central ID

• 19624173

Digital Object Identifier (DOI)

• 10.1063/1.3170926

start page

• 031105

end page

• 031105

volume

• 131

issue

• 3

URL

• http://dx.doi.org/10.1063/1.3170926