Viability of sub-0.4-nm diameter carbon nanotubes

N. Sano, Manish Chhowalla, D. Roy, G. A J Amaratunga

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

Hartree-Fock (HF) and density functional theory calculations indicate that a (4,0) carbon nanotube (CNT) of sub-0.4-nm diameter is stable and its heat of formation is close to that of the stable C36 (D6h). Semiempirical molecular-orbital calculation shows that such narrow tubular structure is more stable than the corresponding opened fragment in the innermost zone of a large CNT. Simulated TEM images show that an extra-narrow CNT does not show the typical CNT image regardless of the microscopic resolution. In order to aid experimental identification, the Raman spectrum of the (4,0) CNT obtained from HF calculation shows A1g breathing modes in 489-725 cm-1.

Original languageEnglish
Article number113403
Pages (from-to)1134031-1134034
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number11
Publication statusPublished - Sep 15 2002

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Carbon Nanotubes
viability
Carbon nanotubes
carbon nanotubes
Orbital calculations
heat of formation
Molecular orbitals
breathing
Density functional theory
Raman scattering
molecular orbitals
fragments
Raman spectra
density functional theory
Transmission electron microscopy
transmission electron microscopy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Sano, N., Chhowalla, M., Roy, D., & Amaratunga, G. A. J. (2002). Viability of sub-0.4-nm diameter carbon nanotubes. Physical Review B - Condensed Matter and Materials Physics, 66(11), 1134031-1134034. [113403].

Viability of sub-0.4-nm diameter carbon nanotubes. / Sano, N.; Chhowalla, Manish; Roy, D.; Amaratunga, G. A J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 66, No. 11, 113403, 15.09.2002, p. 1134031-1134034.

Research output: Contribution to journalArticle

Sano, N, Chhowalla, M, Roy, D & Amaratunga, GAJ 2002, 'Viability of sub-0.4-nm diameter carbon nanotubes', Physical Review B - Condensed Matter and Materials Physics, vol. 66, no. 11, 113403, pp. 1134031-1134034.
Sano, N. ; Chhowalla, Manish ; Roy, D. ; Amaratunga, G. A J. / Viability of sub-0.4-nm diameter carbon nanotubes. In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 66, No. 11. pp. 1134031-1134034.
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