Isomerization of C60 fullerenes

Yi, Jae-Yel; Bernholc, J.
June 1992
Journal of Chemical Physics;6/1/1992, Vol. 96 Issue 11, p8634
Academic Journal
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.


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