Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5423878 | Surface Science | 2009 | 4 Pages |
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(1Â 1Â 0). The high catalytic activity of RuO2(1Â 1Â 0) is traced to the low activation energies for the successive hydrogen abstractions of ammonia by on-top O (less than 73Â kJ/mol) and the low activation barrier for the recombination of adsorbed O and N (77Â kJ/mol) to form adsorbed NO. The NO desorption is activated by 121Â kJ/mol and represents therefore the rate determining step in the ammonia oxidation reaction over RuO2 (1Â 1Â 0).
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Physical and Theoretical Chemistry
Authors
A.P. Seitsonen, D. Crihan, M. Knapp, A. Resta, E. Lundgren, J.N. Andersen, H. Over,