Electronic properties of open-ended single wall carbon nanotubes


Turker L., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.577, ss.131-135, 2002 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 577
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0166-1280(01)00661-3
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.131-135

Özet

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.