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  Ensemble Effect Evidenced by CO Adsorption on the 3-Fold PdGa Surfaces

Prinz, J., Gaspari, R., Stöckl, Q. S., Gille, P., Armbrüster, M., Brune, H., et al. (2014). Ensemble Effect Evidenced by CO Adsorption on the 3-Fold PdGa Surfaces. The Journal of Physical Chemistry C, 118(23), 12260-12265. doi:10.1021/jp501584f.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-FC2B-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-FC2D-1
Genre: Journal Article

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 Creators:
Prinz, Jan1, Author
Gaspari, Roberto1, Author
Stöckl, Quirin S.1, Author
Gille, Peter1, Author
Armbrüster, Marc2, Author              
Brune, Harald1, Author
Gröning, Oliver1, Author
Pignedoli, Carlo A.1, Author
Passerone, Daniele1, Author
Widmer, Roland1, Author
Affiliations:
1external, ou_persistent22              
2Marc Armbrüster, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863414              

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 Abstract: The atomic structure and composition of a catalyst's surface have a major influence on its performance regarding activity and selectivity. In this respect, intermetallic compounds are promising future catalyst materials, as their surfaces exhibit small and well-defined ensembles of active metal atoms. In this study, the active adsorption sites of the 3-fold-symmetric surfaces of the PdGa interrnetallic compound were investigated in a combined experimental and computational approach using CO as a test molecule. The PdGa(111) and (-1-1-1) surfaces exhibit very similar electronic structures, but have Pd sites with very different, well-defined atomic coordination and separation. They thereby serve as prototypical model systems for studying ensemble effects on bimetallic catalytic surfaces. Scanning tunneling microscopy and Fourier transform infrared spectroscopy show that the CO adsorption on both surfaces is solely associated with the topmost Pd atoms and Ga acts only as an inactive spacer. The different local configurations of these Pd atoms dictate the CO adsorption sites as a function of coverage. The experimental results are corroborated by density functional theory and illustrate the site separation and ensemble effects for molecular adsorption on intermetallic single crystalline surfaces.

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 Dates: 2014-06-12
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000337497400021
DOI: 10.1021/jp501584f
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Title: The Journal of Physical Chemistry C
  Other : J. Phys. Chem. C
Source Genre: Journal
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Publ. Info: Washington DC : American Chemical Society
Pages: - Volume / Issue: 118 (23) Sequence Number: - Start / End Page: 12260 - 12265 Identifier: ISSN: 1932-7447
CoNE: /journals/resource/954926947766