Please use this identifier to cite or link to this item:
|Scopus||Web of Science®||Altmetric|
|Title:||Geometric model for boron nitride nanotubes incorporating curvature|
|Citation:||The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, 2008; 112(42):16248-16255|
|Publisher:||American Chemical Society|
|Barry J. Cox and James M. Hill|
|Abstract:||The conventional rolled-up model of nanotubes does not apply to the very small radii tubes, for which curvature effects become significant. Here, an existing geometric model for carbon nanotubes that has been proposed by the authors, which accommodates this deficiency and is based on the exact polyhedral cylindrical structure, is extended to a nanotube structure involving two species of atoms in equal proportion, and, in particular, boron nitride nanotubes. This generalization allows the principle features to be included as the fundamental assumptions of the model, such as equal bond length but distinct bond angles and radii between the two species. Working from five simple geometric assumptions, expressions are derived for the various structural parameters such as radii and bond angles for the two species for specific values of the chiral vector numbers (n, m). The new model incorporates an additional constant of proportionality (τ), which we assume applies to all nanotubes comprising the same elements and is such that τ = 1 for a single species nanotube. Comparison with ab initio studies suggests that this assumption is entirely reasonable, and, in particular, we determine a value of τ = 0.56 ± 0.04 for boron nitride. © 2008 American Chemical Society.|
|Rights:||Copyright © 2008 American Chemical Society|
|Appears in Collections:||Aurora harvest|
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.