Modeling the adsorption and dissociation of CO on transition metal surfaces

摘要

The interaction between transition metal surfaces and simple diatomic molecules such as CO may lead to breaking and making chemical bonds and trigger important surface catalyzed reactions. We discuss the most common surface interaction and orientation models taking into consideration the behavior of each transition metal, the influence of structure, bonding, and coordination of the molecules. We emphasize the importance of the precursor tilted state in the dissociation of diatomic molecules on transition metal surfaces.