Structure and energetics of hydrogenated and dehydrogenated carbon tori

Title: Structure and energetics of hydrogenated and dehydrogenated carbon tori
Creator: Ponomarenko, O.; Radny, M. W.; Smith, P. V.
Relation: Carbon Vol. 43, Issue 6, p. 1165-1173
Publisher Link: http://dx.doi.org/10.1016/j.carbon.2004.12.007
Publisher: Pergamon Press
Resource Type: journal article
Date: 2005
Description: It is shown that large-diameter, finite and extended, hydrogenated, single-walled carbon nanotubes are energetically and structurally unstable. The instability of short, large-diameter, finite hydrogenated tubes leads to the formation of hydrogenated circular carbon tori of small tubular cross-section. It is also shown that carbon toroidal structures, formed by desorption of hydrogen from the hydrogenated tori, are more energetically stable than the corresponding open-ended, finite single-walled carbon nanotubes.
Subject: Carbon nanotubes; Molecular simulation; Adsorption properties
Identifier: uon:883
Identifier: http://hdl.handle.net/1959.13/26464
Identifier: ISSN:0008-6223
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