Using X-ray powder diffraction and principal component analysis to determine structural properties for bulk samples of multiwall carbon nanotubes

Jette Oddershede; Kurt Nielsen; Kenny Stahl

doi:10.1524/zkri.2007.222.3-4.186

Published by De Gruyter (O) September 25, 2009

Using X-ray powder diffraction and principal component analysis to determine structural properties for bulk samples of multiwall carbon nanotubes

Jette Oddershede , Kurt Nielsen and Kenny Stahl

From the journal Zeitschrift für Kristallographie - Crystalline Materials

https://doi.org/10.1524/zkri.2007.222.3-4.186

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It has been attempted to derive the structural properties of bulk multiwall carbon nanotubes (MWCNTs) from a combination of powder diffraction and principal component analysis (PCA). By a transformation of the direct PCA basis functions to a structural parameter set it was possible to obtain average values of inner radius, number of turns and d-spacing. The true tube lengths cannot be correctly estimated due to correlations to other properties, tube bending and defects in the tubes. Improvements can be expected by including distributions of the structural properties, further developing the functional relationships between the PCA and parameter functions and including the chiral angle (rolling direction) as a separate parameter.

Keywords: Multiwall carbon nanotubes; Bulk structural properties; Debye simulations; Principal component analysis; X-ray powder diffraction

Received: 2006-January-10

Accepted: 2006-April-10

Published Online: 2009-9-25

Published in Print: 2007-3-1

Using X-ray powder diffraction and principal component analysis to determine structural properties for bulk samples of multiwall carbon nanotubes

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