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). (C) 2009 Elsevier B.V. All rights reserved.
Original language | English |
---|---|
Pages (from-to) | L113-L116 |
Journal | Surface Science |
Volume | 603 |
Issue number | 18 |
DOIs | |
Publication status | Published - 2009 |
Subject classification (UKÄ)
- Atom and Molecular Physics and Optics
Free keywords
- chemical reaction
- Surface
- Catalysis
- Models of surface chemical reactions
- calculations
- Synchrotron radiation photoelectron spectroscopy
- Density functional
- Ruthenium
- ruthenium dioxide
- Ammonia
- ammonia
- oxidation