en fr Ab initio simulation of supported metal nanoclusters Simulation ab initio de nano-agrégats métalliques supportés Reportar como inadecuado




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1 LC - Laboratoire de Chimie - UMR5182

Abstract : This thesis deals with the structure and reactivity of alumina supported palladium clusters used as model catalysts. The main purpose of this work is to depict the support effect on the nucleation and reactivity of the metal phase taking explicitly into account the surface hydration. We studied clusters containing from 1 to 13 atoms. Firstly, the structure of supported clusters was assessed. Two interaction modes were found. The results on this thesis put forward that small aggregates



Autor: Manuel Corral Valero -

Fuente: https://hal.archives-ouvertes.fr/



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