SURFACE JITTER AND REACTION-KINETICS

Random shifts in nearby substrate atom positions can affect the dynamics of a surface reaction in several ways. Pair-wise potentials and model slabs are used to evaluate the relative contributions of changes in barrier height, and changes in the potential manifold shape as measured by reaction cross-section at the saddle point. The results and dynamic corrections are related to general features of the model which can characterize many physical systems. Several distinct dynamic relationships result in concomitant changes of activation energy and prefactor, to oppose changes in the rate constant. © 1990.