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Facile NOx interconversion over preoxidized Ag(111)

Klacar, S. ; Martin, Natalia LU ; Gustafson, Johan LU ; Blomberg, Sara LU ; Liu, Z. ; Axnanda, S. ; Chang, R. ; Lundgren, Edvin LU and Gronbeck, H. (2013) In Surface Science 617. p.167-174
Abstract
X-ray photoelectron spectroscopy and density functional theory calculations are used to investigate NO adsorption at low (100 K) and room temperature (RT) over preoxidized Ag(111). At 100 K, the data indicates presence of NO and N2O2, with little or no nitrite/nitrate formation. This is consistent with the calculated surface core level shifts and the pronounced barrier for nitrite formation. At RT, the recorded spectra indicate a complex interconversion between adsorbed species with an initial formation of a p(4 x 4) nitrate overlayer. With increasing NO pressure, the experimental results are best rationalized by partial nitrate decomposition into nitrites and subsequent NO physisorption, which leads to the formation of N2O3-like species.... (More)
X-ray photoelectron spectroscopy and density functional theory calculations are used to investigate NO adsorption at low (100 K) and room temperature (RT) over preoxidized Ag(111). At 100 K, the data indicates presence of NO and N2O2, with little or no nitrite/nitrate formation. This is consistent with the calculated surface core level shifts and the pronounced barrier for nitrite formation. At RT, the recorded spectra indicate a complex interconversion between adsorbed species with an initial formation of a p(4 x 4) nitrate overlayer. With increasing NO pressure, the experimental results are best rationalized by partial nitrate decomposition into nitrites and subsequent NO physisorption, which leads to the formation of N2O3-like species. (C) 2013 Elsevier B.V. All rights reserved. (Less)
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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Density functional theory, Photoemission spectroscopy, Ag, Silver, Nitrogen oxides
in
Surface Science
volume
617
pages
167 - 174
publisher
Elsevier
external identifiers
  • wos:000326141100025
  • scopus:84883803467
ISSN
0039-6028
DOI
10.1016/j.susc.2013.07.004
language
English
LU publication?
yes
id
d4668c57-d93f-4da7-9f2d-c8055fc88ac3 (old id 4212695)
date added to LUP
2016-04-01 13:12:58
date last changed
2022-03-29 06:13:08
@article{d4668c57-d93f-4da7-9f2d-c8055fc88ac3,
  abstract     = {{X-ray photoelectron spectroscopy and density functional theory calculations are used to investigate NO adsorption at low (100 K) and room temperature (RT) over preoxidized Ag(111). At 100 K, the data indicates presence of NO and N2O2, with little or no nitrite/nitrate formation. This is consistent with the calculated surface core level shifts and the pronounced barrier for nitrite formation. At RT, the recorded spectra indicate a complex interconversion between adsorbed species with an initial formation of a p(4 x 4) nitrate overlayer. With increasing NO pressure, the experimental results are best rationalized by partial nitrate decomposition into nitrites and subsequent NO physisorption, which leads to the formation of N2O3-like species. (C) 2013 Elsevier B.V. All rights reserved.}},
  author       = {{Klacar, S. and Martin, Natalia and Gustafson, Johan and Blomberg, Sara and Liu, Z. and Axnanda, S. and Chang, R. and Lundgren, Edvin and Gronbeck, H.}},
  issn         = {{0039-6028}},
  keywords     = {{Density functional theory; Photoemission spectroscopy; Ag; Silver; Nitrogen oxides}},
  language     = {{eng}},
  pages        = {{167--174}},
  publisher    = {{Elsevier}},
  series       = {{Surface Science}},
  title        = {{Facile NOx interconversion over preoxidized Ag(111)}},
  url          = {{http://dx.doi.org/10.1016/j.susc.2013.07.004}},
  doi          = {{10.1016/j.susc.2013.07.004}},
  volume       = {{617}},
  year         = {{2013}},
}