Structures and energetics of carbon bridged C-60 clusters

Citation
Dk. Yu et al., Structures and energetics of carbon bridged C-60 clusters, EUR PHY J D, 15(1), 2001, pp. 57-63
Citations number
24
Categorie Soggetti
Physics
Journal title
EUROPEAN PHYSICAL JOURNAL D
ISSN journal
14346060 → ACNP
Volume
15
Issue
1
Year of publication
2001
Pages
57 - 63
Database
ISI
SICI code
1434-6060(200107)15:1<57:SAEOCB>2.0.ZU;2-9
Abstract
The structures and energetics of carbon bridged C-60 clusters (C-60)(n)C-m have been studied by simulated annealing technique within the tight-binding molecular-dynamics. The "sp(2) addition" ball-and-chain dimers exhibit odd -even alternations: over the number of chain atoms, with the dimers contain ing even chain atoms more stable against dissociation than their immediate neighbors containing odd chain atoms. In addition to the usual "sp(2) addit ion" dimers, a pentagon-linked C-121 isomer and a hexagon-linked C-122 isom er are also found to be stable. Based on our til:ht-binding: calculations, trimers and larger clusters: can be simply regarded as: being made lap of i ndependent or weakly interacting dimers, if the C-C-60 joints on a single c age are not too close to each other. Large C-60 clusters connected by chain s each containing only one or two carbon atoms wave similar stability to th at of constituent dimers, indicating the possibility to form stable C-60-ca rbon polymers.