Catalytically favorable surface patterns in Pt-Au nanoclusters

Junais Habeeb Mokkath, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Motivated by recent experimental demonstrations of novel PtAu nanoparticles with highly enhanced catalytic properties, we present a systematic theoretical study that explores principal catalytic indicators as a function of the particle size and composition. We find that Pt electronic states in the vicinity of the Fermi level combined with a modified electron distribution in the nanoparticle due to Pt-to-Au charge transfer are the origin of the outstanding catalytic properties. From our model we deduce the catalytically favorable surface patterns that induce ensemble and ligand effects. © The Royal Society of Chemistry 2013.
Original languageEnglish (US)
Pages (from-to)15350
JournalRSC Advances
Volume3
Issue number35
DOIs
StatePublished - 2013

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Chemistry(all)

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