Structures and energetics of carbon bridged C60 clusters
Center Of Super-Diamond and Advanced Films (COSDAF) & Department of Physics and Materials Science, City University of Hong Kong, Hong Kong, P.R. China
Corresponding author: a firstname.lastname@example.org
Revised: 26 February 2001
Published online: 15 July 2001
The structures and energetics of carbon bridged C60 clusters (CCm have been studied by simulated annealing technique within the tight-binding molecular-dynamics. The "sp2 addition" ball-and-chain dimers exhibit odd-even alternations over the number of chain atoms, with the dimers containing even chain atoms more stable against dissociation than their immediate neighbors containing odd chain atoms. In addition to the usual "sp2 addition" dimers, a pentagon-linked C121 isomer and a hexagon-linked C122 isomer are also found to be stable. Based on our tight-binding calculations, trimers and larger clusters can be simply regarded as being made up of independent or weakly interacting dimers, if the C-C60 joints on a single cage are not too close to each other. Large C60 clusters connected by chains each containing only one or two carbon atoms have similar stability to that of constituent dimers, indicating the possibility to form stable C60-carbon polymers.
PACS: 61.48.+c – Fullerenes and fullerene-related materials / 61.46.+w – Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 36.40.Qv – Stability and fragmentation of clusters
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2001