The temperature dependence of the adsorption of NO on Pt{211}: A RAIRS and DFT investigation

Mukerji, Robin J, Bolina, Amandeep S, Brown, Wendy A, Liu, Zhi-Pan and Hu, PeiJun (2004) The temperature dependence of the adsorption of NO on Pt{211}: A RAIRS and DFT investigation. Journal of Physical Chemistry B, 108 (1). 289 - 296. ISSN 1520-6106

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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.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Subjects: Q Science
Depositing User: Deeptima Massey
Date Deposited: 23 Jul 2014 09:46
Last Modified: 23 Jul 2014 09:46
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