Isomerization of C60 fullerenes
- 1 June 1992
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (11) , 8634-8636
- https://doi.org/10.1063/1.462269
Abstract
Car–Parrinello calculations show that the transformation between C60 isomers involves barriers in excess of 5 eV, although the energetic difference between the buckyball and the next lowest isomer is only 1.6 eV. C60 isomerization thus requires high temperatures and long annealing times.Keywords
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