Electronic properties of carbon nanotoroidal structures

YAZGAN E., Tasci E., Malcioglu O., ERKOÇ Ş.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.681, pp.231-234, 2004 (SCI-Expanded) identifier identifier


Electronic properties of five carbon nanotori (C-170, C-250, C-360, C-520, and C-750) have been investigated by performing Extended-Huckel type calculations. Carbon nanotori considered is of Fonseca type having five-fold symmetry. It has been found that highest occupied molecular orbital-lowest occupied molecular orbital gaps of nanotori considered are very small, thus they may contain mobile electrons; pentagons and heptagons in the knee-regions act as an electron trap; and all the nanotori have a DOS distribution with common features. (C) 2004 Elsevier B.V. All rights reserved.