TITLE

Isomerization of C60 fullerenes

AUTHOR(S)
Yi, Jae-Yel; Bernholc, J.
PUB. DATE
June 1992
SOURCE
Journal of Chemical Physics;6/1/1992, Vol. 96 Issue 11, p8634
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
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.
ACCESSION #
7614712

 

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