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

Seitsonen, A. P.; Crihan, D.; Knapp, M.; Resta, Andrea LU ; Lundgren, Edvin LU ; Andersen, Jesper N LU and Over, H. (2009) In Surface Science 603(18). p.113-116
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.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
chemical reaction, Surface, Catalysis, Models of surface chemical reactions, calculations, Synchrotron radiation photoelectron spectroscopy, Density functional, Ruthenium, ruthenium dioxide, Ammonia, ammonia, oxidation
in
Surface Science
volume
603
issue
18
pages
113 - 116
publisher
Elsevier
external identifiers
  • wos:000270640700002
  • scopus:69549118532
ISSN
0039-6028
DOI
10.1016/j.susc.2009.07.025
language
English
LU publication?
yes
id
c69d0005-541b-47a9-ae6a-d98563d67b8c (old id 1507188)
date added to LUP
2009-11-20 16:18:52
date last changed
2017-06-18 03:53:31
@article{c69d0005-541b-47a9-ae6a-d98563d67b8c,
  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.},
  author       = {Seitsonen, A. P. and Crihan, D. and Knapp, M. and Resta, Andrea and Lundgren, Edvin and Andersen, Jesper N and Over, H.},
  issn         = {0039-6028},
  keyword      = {chemical reaction,Surface,Catalysis,Models of surface chemical reactions,calculations,Synchrotron radiation photoelectron spectroscopy,Density functional,Ruthenium,ruthenium dioxide,Ammonia,ammonia,oxidation},
  language     = {eng},
  number       = {18},
  pages        = {113--116},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {Reaction mechanism of ammonia oxidation over RuO2(110): A combined theory/experiment approach},
  url          = {http://dx.doi.org/10.1016/j.susc.2009.07.025},
  volume       = {603},
  year         = {2009},
}