Bosco, E. and Thomas, S. and Raghuvaran, G. and Sherwood, D. (2009) Simulated XRD profiles of carbon nanotubes (CNTs): An efficient algorithm and a recurrence relation for characterising CNTs. Journal of Alloys and Compounds, 479 (1-2). pp. 484-488.

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We develop an efficient algorithm and a novel recurrence relation for computing the Debye function of carbon nanotubes. This allows the computation of the XRD pronle of CNTs for arbitrary lengths in times which scales linearly with the tube length. Using the recurrence relation, we further show that the XRD peak intensities are proportional to the tube length. The slopes and intercepts ofthe peak intensity versus tube length plots are characteristic of the CNT type. This work will help to create a database for CNTs akin to the ICDD data for 3-D crystals. Methods are also sketched to deduce tube properties from the XRD data.

Item Type: Article
Uncontrolled Keywords: Carbon nanotube; Debye function; XRD; Algorithm Recurrence relation
Subjects: Electrodics and Electrocatalysis
Depositing User: TTBD CECRI
Date Deposited: 02 Apr 2012 06:22
Last Modified: 02 Apr 2012 06:22

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