Water on Pt(111): the importance of proton disorder

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dc.creatorSite, Luigi Delle
dc.creatorGhiringhelli, Luca M.
dc.creatorAndreussi, Oliviero
dc.creatorDonadio, Davide
dc.creatorParrinello, Michele
dc.date2007-01-23
dc.date.accessioned2026-07-07T08:13:48Z
dc.date.available2026-07-07T08:13:48Z
dc.descriptionThe structure of a water adlayer on Pt(111) surface is investigated by extensive first principle calculations. Only allowing for proton disorder the ground state energy can be found. This results from an interplay between water/metal chemical bonding and the hydrogen bonding of the water network. The resulting short O-Pt distance accounts for experimental evidences. The novelty of these results shed a new light on relevant aspects of water-metal interaction.
dc.description10 pages 4 figures (color)
dc.identifierhttps://arxiv.org/abs/cond-mat/0701547
dc.identifierhttp://arxiv.org/abs/cond-mat/0701547
dc.identifierJ. Phys.: Condens. Matter 19 242101 (FAST TRACK COMMUNICATION) (2007)
dc.identifierdoi:10.1088/0953-8984/19/24/242101
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/132899
dc.subjectMaterials Science
dc.titleWater on Pt(111): the importance of proton disorder
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