A RAIRS, TPD and DFT study of carbon monoxide adsorption on stepped Rh(553)

Autor(en)

Hans Peter Koch, Priyanka Singnurkar, Robert Schennach, Alessandro Stroppa, Florian Mittendorfer

Abstrakt

The adsorption and desorption of carbon monoxide on Rh(553) was studied using temperature-programmed desorption (TPD), reflection absorption infrared spectroscopy (RAIRS), and density functional theory (DFT) calculations. The results are discussed with respect to the previously reported results on the Rh(111) surface. TPD of carbon monoxide from Rh(553) is very similar to the TPD from Rh(111). This observation is confirmed by DFT calculations, which show that the adsorption geometries and adsorption energies are only slightly different on the two surfaces. Infrared spectroscopy shows that, at low coverages, on-top adsorption sites on the steps and on the terraces are occupied first. With increasing CO coverage also bridge sites on the steps are occupied, while bridge and hollow sites on the terraces are only occupied at the highest CO coverages. DFT calculations support the assignments of the IR peaks to the different adsorption sites.

Organisation(en)

Computergestützte Materialphysik

Externe Organisation(en)

Technische Universität Graz

Journal

The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces)

Band

112

Seiten

806-812

Anzahl der Seiten

7

ISSN

1932-7447

DOI

https://doi.org/10.1021/jp076080b

Publikationsdatum

2008

Peer-reviewed

Ja

ÖFOS 2012

103015 Kondensierte Materie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/4089ac45-4f3c-4b8c-bd29-433f71643091