The role of cap chirality in the mechanism of growth of single-wall carbon nanotubes. Academic Article

abstract

• Addition of C(2) radicals to rim sites of carbon nanotube caps with different chiral angles and its relation to the catalyzed growth of single-wall carbon nanotubes are investigated using density functional theory. It is shown that the structure of the armchair and near-armchair caps favors nanotube growth thermodynamically and kinetically, whereas growth from near-zigzag caps is hindered under this mechanism. Our findings explain several features of nanotube growth found in experimental synthesis.

authors

• Balbuena, Perla

published proceedings

• Nanotechnology

author list (cited authors)

• Gmez-Gualdrn, D. A., & Balbuena, P. B.

citation count

• 37

complete list of authors

• Gómez-Gualdrón, Diego A||Balbuena, Perla B

publication date

• December 2008

publisher

• IOP Publishing  Publisher

published in

• Nanotechnology  Journal

keywords

• 0306 Physical Chemistry (incl. Structural)

PubMed Central ID

• 21836305

Digital Object Identifier (DOI)

• 10.1088/0957-4484/19/48/485604

start page

• 485604

end page

• 485604

volume

• 19

issue

• 48

URL

• http://dx.doi.org/10.1088/0957-4484/19/48/485604