Electronic properties of open-ended single wall carbon nanotubes

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Atıf İçin Kopyala

Turker L., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.577, ss.131-135, 2002 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 577
• Basım Tarihi: 2002
• Doi Numarası: 10.1016/s0166-1280(01)00661-3
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.131-135
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

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.