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Wiley, Angewandte Chemie International Edition, 37(51), p. 9339-9343, 2012

DOI: 10.1002/anie.201203787

Wiley, Angewandte Chemie, 37(124), p. 9473-9477, 2012

DOI: 10.1002/ange.201203787

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Isolated Pd Sites on the Intermetallic PdGa(111) and PdGa($\bar 1$\bar 1$\bar 1$) Model Catalyst Surfaces

Journal article published in 2012 by Jan Prinz, Roberto Gaspari, Carlo A. Pignedoli, Jochen Vogt, Peter Gille, Marc Armbrüster, Harald Brune, Oliver Gröning, Daniele Passerone, Roland Widmer ORCID
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Abstract

Scratching the surface: The high selectivity of PdGa catalysts towards the partial hydrogenation of acetylene was previously attributed to the separation of Pd atomic sites at the surfaces. The atomic structures of PdGa surfaces are determined by means of a combined experimental and computational approach, allowing investigation of the catalytic dissociation of hydrogen. The two opposite (111) and ${{\left( {\bar 1\bar 1\bar 1} \right)}}$ surfaces show a very different arrangement of catalytic centers.