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

doi:10.1016/j.jallcom.2005.02.068

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

ENG - Chemical Engineering

Research output: Contribution to journal › Conference article › peer-review

16 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	46-50
Number of pages	5
Journal	Journal of Alloys and Compounds
Volume	401
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jallcom.2005.02.068
Publication status	Published - 2005 Sep 29

Keywords

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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title = "Modelling studies of carbon nanotubes - Comparison of simulations and X-ray diffraction data",

abstract = "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 {\AA} has proved to account very well for the experimental data.",

keywords = "Disorder, Nanostructures, Nanotube, Pair correlation function, Synchrotron radiation, X-ray diffraction",

author = "J. Koloczek and L. Hawelek and A. Burian and Dore, {J. C.} and V. Honkim{\"a}ki and T. Kyotani",

note = "Funding Information: This work is supported by Polish Ministry of Scientific Research and Information Technology through Grant 1PO3 B01227. ",

year = "2005",

month = sep,

day = "29",

doi = "10.1016/j.jallcom.2005.02.068",

language = "English",

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AU - Koloczek, J.

AU - Hawelek, L.

AU - Burian, A.

AU - Dore, J. C.

AU - Honkimäki, V.

AU - Kyotani, T.

N1 - Funding Information: This work is supported by Polish Ministry of Scientific Research and Information Technology through Grant 1PO3 B01227.

PY - 2005/9/29

Y1 - 2005/9/29

N2 - 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.

AB - 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.

KW - Disorder

KW - Nanostructures

KW - Nanotube

KW - Pair correlation function

KW - Synchrotron radiation

KW - X-ray diffraction

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DO - 10.1016/j.jallcom.2005.02.068

M3 - Conference article

AN - SCOPUS:24644514323

VL - 401

SP - 46

EP - 50

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

IS - 1-2

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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