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MM: Fachverband Metall- und Materialphysik

MM 37: Nanomaterials II

MM 37.5: Vortrag

Donnerstag, 17. März 2011, 15:00–15:15, IFW B

Charging Gold Nanoclusters in Ionic Liquids — •Alexander Held and Michael Walter — FMF Uni Freiburg, Germany

Structures at the nanometer scale show quantized charging effects that can be observed by differential pulse voltammetry experiments. The charge dependent cluster capacitance of gold nanoclusters in the ionic liquid BMImBF4 is investigated using density functional theory (DFT) simulations. The DFT results can be understood via a semiclassical model describing the effect of a polarity inversion of the BMImBF4 double layer on the charge dependent cluster capacitance. These models also explain features seen in recent experimental data.

The DFT calculations have been carried out using the state of the art projector augmented wave method on a real space grid with the GPAW [1] implementation.

[1] https://wiki.fysik.dtu.dk/gpaw/