Disintegration and formation of C{sub 60}
Journal Article
·
· Journal of Physical Chemistry
- Iowa State Univ., Ames, IA (United States)
The disintegration and formation of the C{sub 60} fullerene are studied using molecular dynamics simulations. The interactions between carbon atoms are described with a tight-binding potential model that yields structural and vibrational properties of the molecule in good agreement with experimental data. The simulations show that C{sub 60} is stable against spontaneous disintegration up to 5000 K. The cage formation process is also observed by cooling and compressing 60 carbon atoms from the gas phase. 13 refs., 3 figs., 1 tab.
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-82
- OSTI ID:
- 232231
- Journal Information:
- Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 9 Vol. 96; ISSN JPCHAX; ISSN 0022-3654
- Country of Publication:
- United States
- Language:
- English
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