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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents

ID: 198137.0, Fritz-Haber-Institut / Molecular Physics
A CO2 Surface Molecular Precursor during CO Oxidation over Pt{100}
Authors:Miners, James H.; Gardner, Peter; Bradshaw, Alexander M.; Woodruff, David Phillip
Date of Publication (YYYY-MM-DD):2004-04-24
Title of Journal:Journal of Physical Chemistry B
Journal Abbrev.:J. Phys. Chem. B
Issue / Number:38
Start Page:14270
End Page:14275
Copyright:2004 American Chemical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:Using different isotopologues of the reactant gases CO and O2, infrared reflection absorption spectroscopy (IRAS) has been used to investigate the transient surface species on the Pt{100} surface under reaction conditions which was first shown to give rise to an absorption band around 1630 cm-1 by Hong and Richardson (J. Phys. Chem. 1993, 97, 1258). The results show that this band cannot be attributed to a C-O stretching frequency of the CO from the gas-phase incorporated into a CO-O surface complex, such as that identified as the transition state in recent density-functional theory (DFT) calculations of the Pt{111}/CO + O2 and Pt{100}/CO + NO reactions. The IRAS results are consistent, however, with a surface O-C-O species of low symmetry in which the IR band is due to a C-O stretching mode involving an O atom arising from the molecular O2, and estimates of the desorption energy of this species show it is chemisorbed. This surface intermediate may also be involved in the CO + NO oxidation reaction over Pt{100}, but the steady-state coverage at the higher reaction temperature would preclude its observation in IRAS. The results suggest that further DFT calculations exploring alternative reaction paths may be of value.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
MPI für Plasmaphysik
External Affiliations:Dept. of Chemistry,UMIST, Manchester, UK; Dept. Phys., Univ. of Warwick, Coventry, UK.
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