Stochastic Trajectory Studies of Chemical Processes at Surfaces

Classical trajectory studies have been carried out of the dynamics of simple chemical processes at surfaces. Empirical potential energy hyper‐surfaces were employed. The motion of only a few (5 or 6) atoms in the immediate vicinity of the reactive event was followed explicitly. The effects of the remaining surface and bulk atoms were replaced by friction and random forces (with memory), constructed from experimental phonon spectra. Among the systems studied are inelastic scattering of N 2 from Ag(111), and recombination of O with C on Pt(111). Particular attention was paid to the mechanisms of energy transfer and to the specificity of energy disposal in surface reactions.