Reaction mechanism of ammonia oxidation over RuO2(110): A combined theory/experiment approach

A. P. Seitsonen, D. Crihan, M. Knapp, Andrea Resta, Edvin Lundgren, Jesper N Andersen, H. Over

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Combining state-of-the-art density functional theory (DFT) calculations with high resolution core level shift spectroscopy experiments we explored the reaction mechanism of the ammonia oxidation reaction over RuO2(1 1 0). The high catalytic activity of RuO2(1 1 0) is traced to the low activation energies for the successive hydrogen abstractions of ammonia by on-top O (less than 73 kJ/mol) and the low activation barrier for the recombination of adsorbed O and N (77 kJ/mol) to form adsorbed NO. The NO desorption is activated by 121 kJ/mol and represents therefore the rate determining step in the ammonia oxidation reaction over RuO2 (1 1 0). (C) 2009 Elsevier B.V. All rights reserved.
Original languageEnglish
Pages (from-to)L113-L116
JournalSurface Science
Issue number18
Publication statusPublished - 2009

Subject classification (UKÄ)

  • Atom and Molecular Physics and Optics


  • chemical reaction
  • Surface
  • Catalysis
  • Models of surface chemical reactions
  • calculations
  • Synchrotron radiation photoelectron spectroscopy
  • Density functional
  • Ruthenium
  • ruthenium dioxide
  • Ammonia
  • ammonia
  • oxidation


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