- 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
- Reviewed
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