| Abstract
| - Nonadiabatic theory of chemical reactions is applied to the kinetics of the dissociative adsorption ofhomonuclear diatomic molecules on transition metal surfaces. Coordinates that characterize substrate nucleivibrations are introduced into the theoretical model to take into account a reorganization of the substratestructure under adsorption process along with those that characterize approaching of an adsorbate moleculeX2 to a substrate S and vibration motion of the molecule. The substrate is modeled by a set of the classicalharmonic oscillators. An approximate expression for the activation energy is obtained under general assumptionsabout the form of both intermolecular potentials vi and vf characterizing the interaction of the adsorbate andsubstrate, and intramolecular potentials ui and uf characterizing the interaction between X atoms in the initialand final states, respectively. These assumptions allow one to calculate the activation energy in the explicitform without the detailed information about these interaction potentials. In the model, the activation energyto the dissociation is determined by the repulsive interaction of reactants, the substrate reorganization energy,and an effective energy of the reaction.
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