title: Reactive wetting: H2O/Rh(111).
abstract: First-principles calculations imply that neither H2O bilayers nor half-dissociated, H2O+OH+H monolayers are thermodynamically stable on clean Rh(111). Thus, the experimental observation that Rh(111) supports a periodic 2D water adlayer needs an explanation. Chemistry involving common surface impurities, notably C atoms, may be the answer. Calculations show they provide favorable binding sites for H atoms detached from H2O. The resulting OH fragments can anchor a 2D water layer to the surface.
authors.affiliation: Sandia National Laboratories, Albuquerque, New Mexico 87185-1413, USA.
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Feibelman