Electronic properties of open-ended single wall carbon nanotubes

Turker L., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.577, pp.131-135, 2002 (SCI-Expanded) identifier identifier


We have investigated the electrostatic, charge and orbital properties of open-ended single-wall carbon nanotubes in zigzag geometry. The calculations were performed by using the AM1-RHF semiempirical molecular orbital method. It has been found that the tubes with smaller radius behave like a metallic solid whereas the tubes with larger radius behave like a metallic hollow cylinder. (C) 2002 Elsevier Science B.V. All rights reserved.