Electronic properties of carbon nanotoroidal structures

YAZGAN, EMRE; Tasci, EMRE; Malcioglu, OB; ERKOÇ, ŞAKİR

doi:10.1016/j.theochem.2004.05.029

Electronic properties of carbon nanotoroidal structures

Atıf İçin Kopyala

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

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.681, ss.231-234, 2004 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 681
Basım Tarihi: 2004
Doi Numarası: 10.1016/j.theochem.2004.05.029
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.231-234
Hacettepe Üniversitesi Adresli: Hayır

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.