The nanoscopic structure of Pt-water electrified interface under applied potential

In this talk I will introduce some issues connected with the simulation of electrified interfaces at the nanoscale focusing in particular on modelling the effect of an applied potential to an electrochemical cell. I will present a new methodology to model charged electrodes and highlight some recent progress in the simulation of the double layer of the fundamental Pt-water interface and its response to changes of potential applied to the cell. We reveal that the metal/surface charging cannot be described using a traditional simple capacitor model and that the double layer nanoscopic structure, mass density and charge distribution, strongly depend on the applied potential.