A theoretical approach to the adsorption of ions on metal surfaces

This paper gives a short review of the current status of quantum and simulation studies of the specific adsorption phenomenon. In the light of results of some recent investigations on the adsorption of halide ions on noble metals, the difficult problem of the interfacial interactions is discussed. Several difficulties associated with the modeling of the adsorption process in the simulations are pointed out. Some of them are shown to be related to the cluster model calculations commonly used in the fitting of the analytical potentials for the ion-metal interaction. The adequacy of the additive analytical form of this potential which is usually applied, is also discussed. The problem of the description of the interaction of the ion with the electrode in the intermediate region, when the ion is still surrounded by water molecules, is also addressed. (C) 1999 Elsevier Science B.V. All rights reserved.