Please use this identifier to cite or link to this item:
Scopus Web of Science® Altmetric
Type: Journal article
Title: Carbon nanotori and nanotubes encapsulating carbon atomic-chains
Author: Sumetpipat, K.
Lee, R.
Cox, B.
Hill, J.
Baowan, D.
Citation: Journal of Mathematical Chemistry, 2014; 52(7):1817-1830
Publisher: Springer Verlag
Issue Date: 2014
ISSN: 0259-9791
Statement of
Kanes Sumetpipat, Richard K. F. Lee, Barry J. Cox, James M. Hill, Duangkamon Baowan
Abstract: In this paper we investigate toroidal carbon nanotubes (carbon nanotori) encapsulating a single symmetrically located carbon atomic-chain. The interaction energy of the carbon chain is found from the Lennard-Jones potential using the continuous approach which assumes that atoms are uniformly distributed over the surface of the torus and the line of the circular chain with constant atomic surface and line densities, respectively. We assume that the chain is centrally located and that the carbon nanotorus is synthesized from a perfect carbon nanotube. We predict that the carbon chain can be encapsulated inside the carbon nanotorus when the cross-sectional radius r of the nanotorus is larger than 3.17 Å. At theminimum energy, a value of the toroidal radius R lies between 3.6 and 3.7 Å corresponding to each value of r. We also investigate the energy of carbon chains inside carbon nanotubes, which are (4,4), (5,5) and (10,0) tubes. We find that they are energetically favourable in (5,5) and (10,0) tubes, but not in a (4,4) tube, because it is geometrically too small, and these results are in agreement with existing studies. The same results for these three carbon nanotubes can also be obtained from the corresponding nanotori when R goes to infinity.
Keywords: Nanotori; Carbon atomic-chain; Lennard-Jones potential; Continuous approximation; Encapsulation
Rights: © Springer International Publishing Switzerland 2014
DOI: 10.1007/s10910-014-0348-7
Appears in Collections:Aurora harvest 2
Mathematical Sciences publications

Files in This Item:
There are no files associated with this item.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.