combined experimental and theoretical effort is undertaken to clarify the mechanisms of (1) nucleation and growth of transition metal nanoclusters from in situ vapor deposition on an oxide surface under UHV or synthesis using reverse micelles as nanoreactors, and (2) supra-organization of nanoparticles in super-lattices. Information on the basic metal-support, metal-ligand and nanoparticle-nanoparticle interactions is derived from calibrated experiments and theoretical calculations, and is used to build up appropriate potentials. These potentials are utilized in molecular dynamics simulations of the various growth processes under realistic conditions, from which a direct comparison with actual growth experiments is immediately possible. The aim is to achieve control over the size distribution and morphology of nanoparticles and super-lattices. Once the structural properties are elucidated, structure-property relationships will be investigated. For clusters supported on an oxide surface, the morphology and arrangement of the particle on the substrate will be correlated with the catalytic activity, while the control over nanocrystal ordering will allow one to investigate the influence of self-organization on the collective electronic transport, optical and magnetic properties.
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Dr. Alessandro Fortunelli (Project Leader)
Istituto per i Processi Chimico-Fisici (IPCF); CNR, Pisa, Italy
Dr. Riccardo Ferrando (Principal Investigator)
Università di Genova, Italy
Dr. Claude R. Henry (Associated Group)
CRMC 2 - CNRS, Marseille, France
Professor Marie-Paule Pileni (Associated Group)
Universite Pierre et Marie Curie, Paris, France
Dr. Gilles Renaud (Principal Investigator)
CEA-Grenoble, France