A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction

dc.creatorZinola Sánchez, Carlos Fernando
dc.creatorArvia, Alejandro Jorge
dc.creatorEstiú, Guillermina
dc.creatorCastro, Eduardo Alberto
dc.date1994-08-01
dc.date2020-01-03T12:45:17Z
dc.date.accessioned2023-07-14T17:57:26Z
dc.date.available2023-07-14T17:57:26Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/88106
dc.identifierissn:0022-3654
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7429511
dc.descriptionThe O<sub>2</sub> electroreduction reaction (OERR) on Pt behaves as a structure sensitive reaction whose peroxo intermediates are formed in a greater extent on Pt(100) than on Pt(111) surfaces. A semiempirical quantum chemistry interpretation of this behavior is attempted on the basis of the study of [Pt]<sub>N</sub>0<sub>2</sub>OH systems, where N, the number of atoms in the Pt cluster, equals 18 and 25. Calculations indicate that dissociative O2 electroadsorption on Pt(111) and molecular O<sub>2</sub> on Pt(100) are favored. As a result of the interactions of O<sub>2</sub> and OH in adjacent positions, hydroperoxide intermediates are formed on Pt(100) leading to the possibility of having H<sub>2</sub>O<sub>2</sub> as product from the OERR.
dc.descriptionInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
dc.descriptionFacultad de Ciencias Exactas
dc.formatapplication/pdf
dc.format7566-7576
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by-nc-sa/4.0/
dc.rightsCreative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.subjectCiencias Exactas
dc.subjectQuímica
dc.subjectTeoría Cuántica
dc.subjectPlatino (Metal)
dc.subjectOxígeno
dc.subjectCluster analysis
dc.subjectElectrodos
dc.subjectPeróxidos
dc.titleA quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
dc.typeArticulo
dc.typeArticulo


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