2014
DOI: 10.5012/bkcs.2014.35.4.1005
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Fullerene Dimers Connected through C24and C36Bridge Cages

Abstract: We have performed DFT calculations to devise some possible fullerene dimers (from C60 and C80) connected through C24 and C36 bridge cages with the face-to-face linking model. The fullerene dimers with C36 bridges have lower binding energies and greater HOMO-LUMO gaps than those of the fullerene dimers with C24 bridges. Also, the replacement of C60 cages with C80 ones always leads to an increase in binding energies and HOMO-LUMO gaps in these systems. Dimerization of C60 and C80 fullerenes with C24 and C36 resu… Show more

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