Electronic properties of carbon nanotoroidal structures


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

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.681, ss.231-234, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 681
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1016/j.theochem.2004.05.029
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.231-234

Özet

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.