Effect of Cobalt on the Catalytic Properties of Platinum during the Oxidation of CO: Experimental Data and Quantum-Chemical Simulation

D. A. Pichugina, N. A. Nikitina, N. E. Kuz’menko, D. I. Potemkin

Research output: Contribution to journalArticlepeer-review

Abstract

Abstract: The oxidation of CO over Pt and Pt–Co catalysts was studied both experimentally and by quantum-chemistry calculations. Density functional theory simulation shows that CO is oxidized on Pt13 via dissociative oxygen adsorption. The calculated activation energy for the dissociation of O2 on Pt13 is 56 kJ/mol. It is found that when a cobalt atom is introduced into the cluster, the activation energy falls for the stages of CO oxidation and the dissociation of O2. Catalytic tests performed on Pt and Pt0.5Co0.5 nanopowders confirm the Pt–Co system displays high activity in the oxidation of CO.

Original languageEnglish
Pages (from-to)1957-1964
Number of pages8
JournalRussian Journal of Physical Chemistry A
Volume93
Issue number10
DOIs
Publication statusPublished - 1 Oct 2019

Keywords

  • bimetallic particle
  • catalysis
  • CO oxidation
  • nanocluster
  • reaction mechanism
  • EVOLUTION
  • PT-13
  • NI
  • PREFERENTIAL OXIDATION
  • SURFACES

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