Publication
Title
Theoretical study of the stable states of small carbon clusters $C_{n}$ (n=210)
Author
Abstract
 Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25.
Language
English
Source (journal)
Physical review : B : solid state. - Lancaster, Pa, 1970 - 1978
Publication
Lancaster, Pa : 2008
ISSN
0556-2805
Volume/pages
78:23(2008), p. 235433,1-235433,8
ISI
000262245400119
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
 Faculty/Department Research group Publication type Subject Affiliation Publications with a UAntwerp address