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Reaction mechanism of ammonia oxidation over RuO2(1 1 0): A combined theory/experiment approach |
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| Authors: | A.P. Seitsonen D. Crihan M. Knapp A. Resta E. Lundgren J.N. Andersen H. Over |
| Affiliation: | aIMPMC, CNRS & Université Pierre et Marie Curie 4 place Jussieu, case 115, F-75252 Paris, France;bDept. of Physical Chemistry, Justus-Liebig-University, Heinrich-Buff-Ring 58, D-35392 Gießen, Germany;cDept. of Synchrotron Radiation Research, University of Lund, Sölvegatan 14, S-22362 Lund, Sweden |
| Abstract: | 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). |
| Keywords: | Synchrotron radiation photoelectron spectroscopy Density functional calculations Models of surface chemical reactions Catalysis Surface chemical reaction Ruthenium, ruthenium dioxide Ammonia, ammonia oxidation |
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