Prof. Alexander S. Fedorov, July 3, 2013

Theoretical Chemistry Colloquium

JULY 3, 2013 (Wed), 16:00-17:00

RCMS, 2nd floor, Chemistry Gallery


Kinetic stability vs thermodynamics of nanostructure – investigation of relative stability of

fullerenes and SWCNTs


Prof. Alexander S. Fedorov

L. KIrensky Institute of Physics, Russian Academy of Science & Siberian Federal University, Krasnoyarsk, Russia



A model to evaluate kinetic stability of caged carbon nanoclusters was developed based on assumption of independent and random nature of thermal vibrations of atoms. Probabilities of breaking of carbon-carbon bond in fullerenes and SWCNT were determined and clear inverse correlation of maximal probabilities with experimental isomer relative yields were found. It was shown that the carbon cage abundance is governed by kinetic rather than thermodynamic stability.

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