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).
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry