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Wolfgang B. Schneider, Udo Benedikt and Prof. Dr. Alexander A. Auer Interaction of Platinum Nanoparticles with Graphitic Carbon Structures: A Computational Study ChemPhysChem 14

Article first published online: 10 JUL 2013 | DOI: 10.1002/cphc.201300375

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Support groups: The interaction of platinum nanoparticles and graphene-like support structures (e.g. C96H24) is dominated by dispersion interaction (see picture). Covalent contributions to the interaction energy, Eint, are found only for clusters with fewer than 20 atoms. Defects in the support as well as the substitution of carbon by heteroatoms lead to an increased covalent contribution to the interaction.

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