ENERGETICS OF DIATOM-SOLID DISSOCIATIVE ADSORPTION

The generalized Langevin method for gas-solid scattering is combined with a London-Eyring-Polanyi-Sato type potential function in order to allow calculation of collisions and simple reactions at the gas-solid interface. Energy transfer and dissociative adsorption for selected collission configurations for a diatomic molecule scattering off a Cu(100) single crystal face have been studied by integrating the classical trajectories. Special emphasis is placed on determining the relative importance of the macroscopic parameters of the collision system on the microscopic mechanisms of these processes. Energy accommodation and dissociative adsorption were found to be greatly effected by the Debye temperature of the solid. © 1979.