PETR 57 |
| The interactions of H2 and H2S molecules with Pt-M bimetallic catalysts (M=Pd, Ir, Mo) were investigated at the molecular level using a DFT (Density Functional Theory) approach to better understand the structures and properties of active sites, and the relations between structural changes and sulfur resistance. It was found that when alloying the platinum catalyst with a small amount of palladium at a particular surface atomic ratio range, both H2 and H2S showed different adsorption properties compared to those on a monometallic platinum or palladium catalyst. The adsorption of H2 and H2S on Pt-Ir and Pt-Mo bimetallic surfaces did not show the same trend as compared with that on Pt-Pd surfaces. Theoretical results and conclusions from our DFT calculations will be summarized through a discussion of surface structures, and the adsorption properties of H2 and H2S molecules on Pt-M bimetallic catalysts. |
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Division of Petroleum Chemistry Poster Session
8:30 AM-10:30 AM, Monday, 11 September 2006 Moscone Center -- Hall D, Poster
Division of Petroleum Chemistry |