dc.creatorRanea, Victor Alejandro
dc.creatorMola, Eduardo Elías
dc.date.accessioned2018-01-03T20:06:15Z
dc.date.accessioned2018-11-06T14:59:57Z
dc.date.available2018-01-03T20:06:15Z
dc.date.available2018-11-06T14:59:57Z
dc.date.created2018-01-03T20:06:15Z
dc.date.issued2014-04
dc.identifierMola, Eduardo Elías; Ranea, Victor Alejandro; Oxygen assisted H2O dissociation on the Pt{110}(1 × 2) surface from first principles; Elsevier Science; Surface Science; 627; 4-2014; 42-48
dc.identifier0039-6028
dc.identifierhttp://hdl.handle.net/11336/32206
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1892655
dc.description.abstractWater dissociation with and without oxygen coadsorption is investigated on the Pt{110}(1 × 2) surface at low coverage from first principles. Calculations indicate that desorption of the water molecule is likely to occur fromthe clean surface ahead of partial dissociation. The assistance of coadsorbed atomic O in the H2O partial dissociation changes the picture. Several H2O+O→OH+ OH possible reactions (with no OH+ H + O intermediate step) have been analyzed. The comparison between the activation energy for the mentioned reaction and the activation energy for H2O desorption shows no strong preference for one reaction over the other one.<br />These results predict that the partial dissociation of H2O is a likely process if it is assisted by atomic O on the Pt {110}(1 × 2) surface. Dissociation and desorption of the H2O molecule are competitive processes on the surface and is possible to predict a dynamic system.
dc.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.susc.2014.04.005
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0039602814000995
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectWater Molecule
dc.subjectDensity Functional calculations
dc.subjectmetal surface
dc.subjectadsorption
dc.subjectDesorption
dc.subjectDissociation
dc.titleOxygen assisted H2O dissociation on the Pt{110}(1 × 2) surface from first principles
dc.typeArtículos de revistas
dc.typeArtículos de revistas
dc.typeArtículos de revistas


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