Anomalous Thermal Stability of Metastable C_20 Fullerene
| Autor: | I. V. Davydov, L. A. Openov, A. I. Podlivaev |
|---|---|
| Rok vydání: | 2005 |
| Předmět: |
Physics
Fullerene Condensed Matter - Mesoscale and Nanoscale Physics FOS: Physical sciences Activation energy Condensed Matter Physics Molecular physics Lower energy Electronic Optical and Magnetic Materials Condensed Matter - Other Condensed Matter Metastability Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Rectangular potential barrier Thermal stability Other Condensed Matter (cond-mat.other) |
| DOI: | 10.48550/arxiv.cond-mat/0503500 |
| Popis: | 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 ~ 3000 K. Its decay activation energy is found to be E_a ~ 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. Comment: Slightly corrected version of the paper submitted to Phys. Solid State |
| Databáze: | OpenAIRE |
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