Abstract
The basic SVRT model was used to study dissociative chemisorption of methane at the atop site on Ni(111). It was found that the dissociation probability of methane is a strongly increasing function of the incident kinetic energy. The dissociation probability was substantially enhanced by excitation of the C-H stretching vibration, the reaction threshold being reduced by about 0.36 eV upon the v=0-1 excitation. Furthermore, the dissociation probability was found to be strongly dependent on the initial rotational orientation as characterized by a combination of the three quantum numbers (jkm).
Original language | English (US) |
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Pages (from-to) | 7698-7704 |
Number of pages | 7 |
Journal | Journal of Chemical Physics |
Volume | 117 |
Issue number | 16 |
DOIs | |
State | Published - Oct 22 2002 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry