Modelling studies of carbon nanotubes - Comparison of simulations and X-ray diffraction data

J. Koloczek, L. Hawelek, A. Burian, J. C. Dore, V. Honkimäki, T. Kyotani

Research output: Contribution to journalConference articlepeer-review

16 Citations (Scopus)


Computer simulations of the powder diffraction profiles for multi-wall carbon nanotubes were performed using the Debye equation including a generalized Debye-Waller factor. The X-ray diffraction data were recorded using high-energy synchrotron radiation and an image plate as a detector for the carbon nanotubes produced by a template chemical vapour deposition (CVD) process. The computed and experimental structure factors were converted to real-space via the Fourier transform. The results of computation, obtained in the form of the structure factor and the pair correlation function, are compared with the X-ray experimental data in both reciprocal and real-space. The nanotube model consisting of five layers with the length of 12 Å has proved to account very well for the experimental data.

Original languageEnglish
Pages (from-to)46-50
Number of pages5
JournalJournal of Alloys and Compounds
Issue number1-2
Publication statusPublished - 2005 Sep 29


  • Disorder
  • Nanostructures
  • Nanotube
  • Pair correlation function
  • Synchrotron radiation
  • X-ray diffraction

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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