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

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. (C) 2009 Elsevier B.V. All rights reserved.