Low O-2 dissociation barrier on Pt(111) due to adsorbate-adsorbate interactions
2010 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 133, no 22, 224701- p.Article in journal (Refereed) Published
O2 dissociation on Pt(111) has been followed at low and saturation coverage using temperature-programmed x-ray photoelectron spectroscopy and simulated with mean-field kinetic modeling, yielding dissociation (Ea) and desorption (Ed) barriers of 0.32 and 0.36 eV, respectively. DFT calculations show that Ea is strongly influenced by the O–O interatomic potential in the atomic final state: of the supercells considered, that which maximizes attractive third-nearest-neighbor interactions in the atomic final state yields both the lowest computed dissociation barrier (0.24 eV) and the best agreement with experiment. It is proposed that the effect of adsorbate-adsorbate interactions must be considered when modeling catalytic processes involving dissociative steps.
Place, publisher, year, edition, pages
American Institute of Physics , 2010. Vol. 133, no 22, 224701- p.
IdentifiersURN: urn:nbn:se:su:diva-47119DOI: 10.1063/1.3512618ISI: 000285477800016OAI: oai:DiVA.org:su-47119DiVA: diva2:373041
FunderSwedish Research Council