Please use this identifier to cite or link to this item: http://hdl.handle.net/2440/64882
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Type: Journal article
Title: Toroidal molecules formed from three distinct carbon nanotubes
Author: Baowan, D.
Cox, B.
Hill, J.
Citation: Journal of Mathematical Chemistry, 2008; 44(2):515-527
Publisher: Baltzer Sci Publ BV
Issue Date: 2008
ISSN: 0259-9791
1572-8897
Statement of
Responsibility: 
Duangkamon Baowan, Barry J. Cox, James M. Hill
Abstract: In order to design nanotori for nanomechanical systems, perhaps involving oscillating components, precise physical parameters for the nanotori are necessary. Toroidal shaped molecules of carbon have been investigated previously by the present authors as constructed by connecting elbow sections formed from joining armchair and zigzag nanotubes through a pentagonal–heptagonal pair defect. In this paper, we extend this design by constructing the elbow structures from three distinct carbon nanotubes. Since for a toroidal molecule, there is a constraint on the bend angles in the elbow sections to add up to 360°, particular elbow types which can accommodate this requirement are (5,0)–(4,4)–(7,0) and (3,3)–(6,0)–(4,4). We adopt a least squares approach for the bond length to minimise the variation from the ideal carbon–carbon bond length, which is taken to be σ = 1.42 Å. Moreover, formulae for the mean generating radius of the nanotori and the mean radius of the nanotubes are obtained from certain integral expressions. This purely geometrical approach can be formally directly related to certain numerical energy minimisation methods used by a number of authors.
Keywords: Carbon nanotori; Least squares method; Elliptic integrals
Rights: © Springer Science+Business Media, LLC 2007
RMID: 0020106792
DOI: 10.1007/s10910-007-9325-8
Appears in Collections:Mathematical Sciences publications

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