科研之友
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摘要
The results of computer simulation of the dynamics of fullerene C-20 at different temperatures are presented. It is shown that, although it is metastable, this isomer is very stable with respect to the transition to a lower energy configuration and retains its chemical structure under heating to very high temperatures, T approximate to 3000 K. Its decay activation energy is found to be E-a approximate to 7 eV. Possible decay channels are studied, and the height of the minimum potential barrier to decay is determined to be U = 5.0 eV. The results obtained make it possible to understand the reasons for the anomalous stability of fullerene C-20 under normal conditions.
- 出版日期2005
