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Theoretical Trends in Particle Size Effects for the Oxygen Reduction Reaction

Authors
  • Greeley, J.
  • Rossmeisl, J.
  • Hellmann, A.
  • Norskov, J. K.
Type
Published Article
Journal
Zeitschrift für Physikalische Chemie
Publisher
De Gruyter
Publication Date
Oct 01, 2007
Volume
221
Issue
9-10
Pages
1209–1220
Identifiers
DOI: 10.1524/zpch.2007.221.9-10.1209
Source
De Gruyter
Keywords
License
Yellow

Abstract

A simple, first principles-based model of the oxygen reduction reaction (ORR) is used to determine ORR kinetics on the (111), (100), and (211) facets of eleven transition metals (Au, Ag, Pt, Pd, Ir, Cu, Rh, Ni, Ru, Co, Fe). For most metals, the unreconstructed (100) facets are found to have an activity comparable to, or slightly higher than, the (111) facets. In contrast, (211) steps are found to be significantly less active than the terraces, with the exception of the most noble metals. These results are combined with simple models of the geometries of catalytic nanoparticles to estimate the average ORR activity of Pt and Au nanoparticles of various sizes. On Pt, a modest decrease in the activity with decreasing particle size is predicted, while for Au, the opposite trend is found.

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