A Comparative Theoretical Study of the Hydrogen, Methyl, and Ethyl Chemisorption on the Pt(111) Surface

Chemisorbed hydrogen and various intermediate hydrocarbon fragments play an important role in the important reaction of ethylene hydrogenation to ethane, which is catalyzed by Pt(111). As a first step toward building a theoretical mechanism of the ethylene hydrogenation process, binding site prefere...

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Veröffentlicht in:Journal of the American Chemical Society 2000-05, Vol.122 (17), p.4129-4144
Hauptverfasser: Papoian, Garegin, Nørskov, Jens K, Hoffmann, Roald
Format: Artikel
Sprache:eng
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