Which role play electronic properties on the electrocatalysis of nanowires?

ELISABETH SANTOS; WOLFGANG SCHMICKLER; PAOLA QUAINO; GERMAN SOLDANO

Ulm-Reisenburg

Congreso; Microscopic Views on Interface Phenomena-From Surface Science to Fuel Cell Catalysis; 2009

Universidad de Ulm

Nanowires are interesting nanostructures which can be fabricated by scanning tunneling microscopy, break-junctions or electrochemically by dissolution of a thin wire. We have investigated the electronic and electrocatalytic properties of different systems.The density of states of the atoms of the nanowire have been calculated anddecomposed in the components of the different atomic orbitals. The bonding andinteraction with the substrate have been analysed and the effect on the electrocatalysis of the hydrogen oxidation reaction has been extensively studied. DFT calculations in combination with the previously developed electrocatalysis theory  have been performed. Important differences between the different systems in the band structure, relative position to the Fermi level and the work function have been observed, which produce strong changes in the electrocatalytic properties. In the case of the metallic substrates the influence of the strain and the chemical interactions can also been distinguished.