OF28 Hydrogen Induced Reconstruction for Supported Pt Clusters: Metal-support Interaction versus Surface Hydride

Tuesday, June 7, 2011: 2:50 PM
Ambassador Ballroom 3 (Detroit Marriott Hotel at the Renaissance Center )
Christophe Mager-Maury1, Céline Chizallet1, Pascal Raybaud1 and Philippe Sautet2, (1)Direction Catalyse et Séparation, IFP Energies Nouvelles, Solaize, France, (2)Institute of Chemistry, University of Lyon, Lyon, France
The structure of small metallic clusters on oxide supports depends on the environment. First-principles calculations coupled with thermodynamics show that Pt13 clusters on γ-alumina are very sensitive to H2 pressure. High pressure induces a reconstruction from a biplanar to a cuboctahedral morphology, with formation of a high coverage surface hydride.

Extended Abstracts:

See more of: Computational Theory for Energy Issues (II)
See more of: Emerging Issues: Novel Materials, Theory, and Experimental Methods
<< Previous Abstract | Next Abstract >>