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CO Adsorption on Clean and Oxidized Pd(111)

N. M. Martin ; Maxime van den Bossche (Institutionen för teknisk fysik, Kemisk fysik ; Kompetenscentrum katalys (KCK)) ; Henrik Grönbeck (Kompetenscentrum katalys (KCK) ; Institutionen för teknisk fysik, Kemisk fysik) ; C. Hakanoglu ; F. Zhang ; T. Li ; J. Gustafson ; J. F. Weaver ; E. Lundgren
Journal of Physical Chemistry C (1932-7447). Vol. 118 (2014), 2, p. 1118-1128.
[Artikel, refereegranskad vetenskaplig]

The adsorption of CO on clean and oxidized Pd(111) surfaces has been investigated using a combination of high-resolution core level spectroscopy (HRCLS), reflection absorption infrared spectroscopy (RAIRS), and density functional theory (DFT) calculations. The HRCLS and RAIRS measurements reveal that CO adsorbs on Pd(111), Pd(5)O4 and PdO(101) at 100 +/- 10 K and that the CO coverage decreases with increasing oxidation state of Pd for the same CO exposures of 10 Langmuirs. Based on the DFT calculations, the CO layer on clean Pd(111) was found to include molecular adsorption in both hollow and bridge sites, whereas CO occupies a combination of bridge and atop sites on the Pd5O4 and PdO(101) surfaces.

Nyckelord: REFLECTION-ABSORPTION SPECTROSCOPY, TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, PDO(101) THIN-FILM, ULTRAHIGH-VACUUM, CARBON-MONOXIDE, VIBRATIONAL SPECTROSCOPY, CATALYTIC REACTIVITY, LEVEL, PHOTOEMISSION, ORDERED STRUCTURES



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Denna post skapades 2014-03-06. Senast ändrad 2016-03-22.
CPL Pubid: 194548

 

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