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dc.date.accessioned | 2021-05-11T14:08:12Z | |
dc.date.available | 2021-05-11T14:08:12Z | |
dc.date.issued | 1996 | |
dc.identifier.uri | http://sedici.unlp.edu.ar/handle/10915/118641 | |
dc.description.abstract | Extended Hueckel molecular orbital calculations for the adsorption of H-atoms in a simulated aqueous electrochemical environment on Pt(111) and Pt(100) clusters were made. Different adsorbate configurations were considered. H-atom adsorption on hollow sites coadsorbed with an on top OH-species for Pt(111), and H-atom adsorption on bridge sites for Pt(100) are favoured. At potentials lower than the hydrogen electrode equilibrium potential, H-adatom configurations involving subsurface Pt atoms can also be formed. For both Pt(111) and Pt(100), these structures are probably related to species involved in the H-atom electrosorption and hydrogen evolution reaction. | en |
dc.format.extent | 2267-2273 | es |
dc.language | en | es |
dc.subject | Hydrogen | es |
dc.subject | Platinum | es |
dc.subject | Semiempirical methods | es |
dc.title | A semiempirical quantum chemistry approach to possible structures and energies of hydrogen atoms adsorbed on Pt(100) and Pt(111) clusters at a simulated Pt/aqueous electrochemical interface | en |
dc.type | Articulo | es |
sedici.identifier.other | https://doi.org/10.1016/0013-4686(96)00054-0 | es |
sedici.identifier.issn | 0013-4686 | es |
sedici.creator.person | Zinola Sánchez, Carlos Fernando | es |
sedici.creator.person | Arvia, Alejandro Jorge | es |
sedici.subject.materias | Ciencias Exactas | es |
sedici.subject.materias | Química | es |
sedici.description.fulltext | true | es |
mods.originInfo.place | Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas | es |
sedici.subtype | Articulo | es |
sedici.rights.license | Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) | |
sedici.rights.uri | http://creativecommons.org/licenses/by-nc-sa/4.0/ | |
sedici.description.peerReview | peer-review | es |
sedici.relation.journalTitle | Electrochimica Acta | es |
sedici.relation.journalVolumeAndIssue | vol. 41, no. 14 | es |