Multiple-collision model for molecular dissociation in impact on solid surfaces

R. Elber*, R. B. Gerber

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

A new approximation is presented for the dissociation of diatomic molecules in collisions with solid surfaces. The method is based on a multiple-collision expansion of the dissociation probability in terms of amplitudes pertaining to collisions between each atom and the surface, and to mutual scattering between the two atoms. It was found that retaining only terms that are low-order in the atom-surface and atom-atom amplitudes suffices for an adequate description of the dissociation dynamics. Further simplifications are obtained by semiclassical and other approximations. Comparison with classical trajectory simulation for systems such as I2 + MgO (surface), shows that the new model reproduces correctly all the major effects in the dissociation dynamics. The model yields the double-maximum velocity distribution and the intense off-specular angular peak of the dissociation fragments in the case of relatively soft molecule-surface repulsive interactions. It demonstrate that the off-specular intensity peak should be interpreted as a rainbow effect (dissociation rainbow). It is concluded that the multiple-collision model is a powerful interpretative and computational tool for dissociation in molecule-surface collisions.

Original languageEnglish
Pages (from-to)363-379
Number of pages17
JournalChemical Physics
Volume92
Issue number2-3
DOIs
StatePublished - 15 Jan 1985

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