title: The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111).
abstract: The structure of a water adlayer on a Pt(111) surface is investigated by means of extensive first-principles calculations. Allowing for proton disorder, the ground state energy for the [Formula: see text] structure can be found. This results from an interplay between water/metal chemical bonding and the hydrogen bonding of the water network. This picture is supported by substituting Pt(111) with Ag(111): the almost inert surface allows for the reconstruction of the hydrogen network.
authors.affiliation: Max-Planck-Institut für Polymerforschung, Ackermannweg 10, D-55128 Mainz, Germany.
authors.forename: Luigi
authors.initials: L
authors.lastname: Delle Site
authors.forename: Luca M
authors.initials: LM
authors.lastname: Ghiringhelli
authors.forename: Oliviero
authors.initials: O
authors.lastname: Andreussi
authors.forename: Davide
authors.initials: D
authors.lastname: Donadio
authors.forename: Michele
authors.initials: M
authors.lastname: Parrinello