Structure and bonding of water on metal surfaces

GEOC 81

Anders Nilsson, Stanford Synchrotron Radiation Laboratory, Stanford Linear Acceperator Center, M.S. 69, Menlo Park, CA 94025, Lars G.M. Pettersson, FYSIKUM, University of Stockholm, Stockholm, Sweden, and Hirohito Ogasawara, Stanford Synchrotron Radiation Laboratory, Stanford Linear Accelerator Center, M.S. 69, Menlo Park, CA 94025.
The current understanding of the first water layer on metal surfaces will be presented. The traditional buckled bilayer model for water adsorption on closed metal surfaces has been shown to be inconsistent with new experimental data for water on Pt(111) based on electron and x-spectroscopy studies coupled with density functional theory calculations. Instead it was found that the layer of water in contact with the metal is nearly flat where half of the molecules bind through the oxygen as usually assumed, but the other half bind through an unexpected attractive interaction with the hydrogen to the metal. New experimental evidence will be presented showing that water adsorbs in a non dissociated state on Ru(001) at monolayer coverage in disagreement with a recent theory study that proposed that water forms a half dissociated layer. Large differences in both reactivity and wetting behavior for different Cu surfaces will be discussed in terms of electronic structure of the substrate.