The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. A quantum chemical study of the reactivity of the 7-5-5-7 topological defect, corresponding to a carbon ad-dimer, on a (5, 5) armchair
nanotube is reported. The energies indicate that the defect is more reactive by 46–70 kcal/mol towards adsorbates containing p-bonds,
such as C2H4, O2, and O3, than are pristine nanotubes or the Stone–Wales 5-7-7-5 defect. The enhanced reactivity of this defect was also
obtained for other sizes and types of carbon nanotubes.
Revised: April 7, 2011 |
Published: December 1, 2007
Citation
Horner D.A., P.C. Redfern, M.G. Sternberg, P. Zapol, and L.A. Curtiss. 2007. "Increased Reactivity of Single Wall Carbon Nanotubes at Carbon
ad-dimer Defect Sites." Chemical Physics Letters 450, no. 1:71-75. doi:10.1016/j.cplett.2007.10.079