Relative isomer abundance of fullerenes and carbon nanotubes correlates with kinetic stability

動力学的安定性を踏まえたフラーレン及び炭素ナノチューブ同素体の存在量分布

Fedorov, A. S.*; Fedorov, D. A.*; Kuzubov, A. A.*; Avramov, P.; 西村 好史*; Irle, S.*; Witek, H. A.*

Fedorov, A. S.*; Fedorov, D. A.*; Kuzubov, A. A.*; Avramov, P.; Nishimura, Yoshifumi*; Irle, S.*; Witek, H. A.*

A methodology to evaluate the kinetic stability of carbon nanostructures is presented based on the assumption of the independent and random nature of thermal vibrations. The kinetic stability is directly correlated to the cleavage probability for the weakest bond of a given nanostructure. The application of the presented method to fullerenes and carbon nanotubes yields clear correlation to their experimentally observed relative isomer abundances. The general and simple formulation of the method ensures its applicability to other nanostructures for which formation is controlled by kinetic factors.