The dynamics of dissociative adsorption on metal surfaces: 'First principles' theory - Experiment confrontations

摘要

This review tries to asses our current state of understanding of the dynamics of dissociative adsorption on single crystal metal surfaces by quantitatively comparing "first principles" theory, i.e. that based on density function theory, with detailed dynamical experimental results. Examples are chosen for H_2 and N_2 dissociation on transition metal surfaces.