Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction of Pt

Publication: Research - peer-reviewJournal article – Annual report year: 2011

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We estimate the activity of the oxygen reduction reaction on platinum nanoparticles of sizes of practical importance. The proposed model explicitly accounts for surface irregularities and their effect on the activity of neighboring sites. The model reproduces the experimentally observed trends in both the specific and mass activities for particle sizes in the range between 2 and 30 nm. The mass activity is calculated to be maximized for particles of a diameter between 2 and 4 nm. Our study demonstrates how an atomic-scale description of the surface microstructure is a key component in understanding particle size effects on the activity of catalytic nanoparticles.
Original languageEnglish
JournalCatalysis Letters
Publication date2011
Volume141
Issue7
Pages909-913
ISSN1011-372X
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 47
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