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Phys Chem Chem Phys ; 17(12): 7898-906, 2015 Mar 28.
Artigo em Inglês | MEDLINE | ID: mdl-25721176

RESUMO

The adsorption of very small rhenium clusters (2-13 atoms) supported on graphene was studied by high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM). The atomic structure of the clusters was fully resolved with the aid of density functional theory calculations and STEM simulations. It was found that octahedral and tetrahedral structures work as seeds to obtain more complex morphologies. Finally, a detailed analysis of the electronic structure suggested that a higher catalytic effect can be expected in Re clusters when adsorbed on graphene than in isolated ones.


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Grafite/química , Rênio/química , Adsorção , Microscopia Eletrônica de Transmissão e Varredura , Simulação de Dinâmica Molecular
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