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| 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 | | Language: | English | | Date of Publication (YYYY-MM-DD): | 2004-04-24 | | Title of Journal: | Journal of Physical Chemistry B | | Journal Abbrev.: | J. Phys. Chem. B | | Volume: | 108 | | 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.
| | Identifiers: | URL:http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/20...
DOI:10.1021/jp0497918 | |
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