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

• 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.

Subject headings

NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

Keyword

chemical reaction

Surface

Catalysis

Models of surface chemical reactions

calculations

Synchrotron radiation photoelectron spectroscopy

Density functional

Ruthenium

ruthenium dioxide

Ammonia

ammonia

oxidation

Publication and Content Type

art (subject category)

ref (subject category)