The temperature dependence of the adsorption of NO on Pt{211}: A RAIRS and DFT investigation
Data(s) |
08/12/2004
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Resumo |
RAIRS experiments have been performed to investigate the adsorption of NO on Pt{211}. Results show that adsorption is complex and strongly temperature dependent. At 307 K, three bands are seen at saturation with frequencies of 1801, 1609, and 1576 cm(-1). However, at 120 K only two bands, at 1688 and 1620 cm(-1), are observed. To help with the assignment of these vibrational bands, DFT calculations were also performed. The calculations show that a bridged NO species, bonded to the step edge, is the most stable species on the surface and gives rise to the band observed at 1610-1620 cm(-1). The calculations also suggest that the temperature dependence of NO adsorption on Ptf{211} can be assigned to NO dissociation which occurs at room temperature but not at 120 K. In particular, the RAIRS band observed at 1801 cm(-1), which is observed on adsorption at 307 K but not at 120 K, is tentatively assigned to the formation of an O-NO complex. This species forms when a NO molecule bonds on top of an O atom, which results from the dissociation of NO on the Pt{211} surface at room temperature. |
Identificador |
http://dx.doi.org/10.1021/jp030460p http://www.scopus.com/inward/record.url?scp=1642447140&partnerID=8YFLogxK |
Idioma(s) |
eng |
Direitos |
info:eu-repo/semantics/restrictedAccess |
Fonte |
Mukerji , R J , Bolina , A S , Brown , W A , Liu , Z H & Hu , P 2004 , ' The temperature dependence of the adsorption of NO on Pt{211}: A RAIRS and DFT investigation ' Journal of Physical Chemistry B , vol 108 (1) , no. 1 , pp. 289-296 . DOI: 10.1021/jp030460p |
Palavras-Chave | #/dk/atira/pure/subjectarea/asjc/1600/1606 #Physical and Theoretical Chemistry |
Tipo |
article |