Stabilization of small metallic particles on functionalized pyrene

Abstract

Fuel cells -- Problem with actual fuel cells -- Single wall carbon nanotube -- Functionalization of carbon nanostructures -- Pyrene -- Density-Functional Theory (DFT) -- Hybrid functionals -- Basis sets -- The pseudopotential SDD -- Software -- From pyrene to multi-walled carbon nanotubes -- Structural effects -- Functionnal groups -- Pyrene functionalization -- Results of the homofunctionalization -- Results of the heterofunctionalization -- One metal atom systems -- Two metal atoms systems -- Stabilition of metal particles.

Uncontrolled Keywords

Pyrènes; Agrégats métalliques; Composites à fibres; Fibres de carbone; Nanotubes