Stonewales Transformation Paths in Fullerene C 60
نویسندگان
چکیده
The mechanisms of formation of a metastable defect isomer of fullerene C 60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the " dynamic " Stone-Wales transformation at a high (sufficient for overcoming potential barriers) temperature can differ from the two " adiabatic " transformation paths discussed in the literature. This behavior is due to the presence of a great near-flat segment of the potential-energy surface in the neighborhood of metastable states. Besides, the sequence of rupture and formation of interatomic bonds is other than that in the case of the adiabatic transformation.
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