Computational studies of the growth mechanism of small fullerenes: A ring-stacking model

Wen Hsin Lin, Rama K. Mishra, Ying Ting Lin, Shyi Long Lee*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


A ring-stacking model for the fullerene growth mechanism has been analyzed using the semiempirical AMI scheme. Following different routes, small fullerenes C28 (Td and D2), C26 (D 3h) and C24 (D6d) have been constructed from, monocyclic/polycyclic precursors and circumscribing them with appropriate carbon belts. The deformation, energies (DE) and the average bond lengths <R> of the precursors have been computed. The DE values suggest that there is a chance of bond cleavage of the polycyclic precursors as the growth process proceeds towards the cage formation. On the other hand, the monocyclic precursors are found to have significantly lower deformation energies than the polycyclic precursors. Further analyzing <R> values of the polycyclic and monocyclic cases at different stages, it is observed that the <R> values of the polycyclic cases decrease gradually, depicting a shrink in the precursors which may be detrimental to the growth process, whereas monocyclic precursors tend to swell, corroborating the tendency of the system to grow, which may be conducive for the growth process.

Original languageEnglish (US)
Pages (from-to)575-582
Number of pages8
JournalJournal of the Chinese Chemical Society
Issue number3 B
StatePublished - 2003


  • A ring-stacking model
  • Growth mechanism of small fullerenes

ASJC Scopus subject areas

  • General Chemistry


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