Hydrogen Adsorption on Mixed Platinum and Nickel Nanoclusters: The Influence of Cluster Composition and Graphene Support
| Autor: | Jiang Wu, Hway Chuan Kang, Eng Soon Tok, Sheau Wei Ong |
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| Rok vydání: | 2010 |
| Předmět: |
Materials science
Graphene Inorganic chemistry Binding energy chemistry.chemical_element Surfaces Coatings and Films Electronic Optical and Magnetic Materials Nanoclusters law.invention Nickel General Energy Adsorption Transition metal chemistry Chemisorption Chemical physics law Cluster (physics) Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Physical Chemistry C. 114:21252-21261 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | The physical and chemical properties of transition metal nanoclusters have been extensively investigated. In particular, we study the energetics of the mixed clusters Pt4−nNin, focusing on the binding energy of the clusters Ebind to a graphene support, and the hydrogenation energy Eads in both the gas-phase and the graphene-supported clusters. For each cluster composition, the cluster can bind to graphene in either a face-on or an edge-on configuration, and in each of these orientations, binding can occur through different atoms; we explore these binding configurations comprehensively. We discuss the variation of Ebind and Eads with respect to the composition of the cluster and the binding configuration of the cluster to the graphene support. Our results show that hydrogen is generally chemisorbed at a Pt site and physisorbed at a Ni site, with a dependence of the adsorption energy upon the composition and the adsorption configuration. Compared with the gas-phase cluster, the chemisorption energies are ge... |
| Databáze: | OpenAIRE |
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