Reversible attachment of platinum alloy nanoparticles to non-functionalized carbon nanotubes

Abstract: The formation of monodisperse, tunable sized, alloyed nanoparticles of Ni, Co, or Fe with Pt and pure Pt nanoparticles attached to carbon nanotubes has been investigated. Following homogeneous nucleation, nanoparticles attach directly to non-functionalized singlewall and multiwall carbon nanotubes during nanoparticle synthesis as a function of ligand nature and the nanoparticle work function. These ligands do not only provide a way to tune the chemical composition, size and shape of the nanoparticles but also control a strong reversible interaction with carbon nanotubes and permit controlling the nanoparticle coverage. Raman spectroscopy reveals that the sp2 hybridization of the carbon lattice is not modified by the attachment. In order to better understand the interaction between the directly attached nanoparticles and the non-functionalized carbon nanotubes we employed first-principles calculations on model systems of small Pt clusters and both zig-zag and armchair singlewall carbon nanotubes. The detailed comprehension of such systems is of major importance since they find applications in catalysis and energy storage.