Monday, 30 May 2016: 11:20
Aqua Salon E (Hilton San Diego Bayfront)
There are presently no atomic scale simulations or analysis that capture all the essential parts of the nature electrochemical interface. Thus the electrochemical solid/liquid interface represents one of the frontiers of atomic scale simulations. The electrolyte is as important for the fundamental properties of the interface as the surface. The challenge is to model the effect of and interplay between potential, pH and ion strength. Thus far these effects have not correctly been accounted for. However, based on a thermochemical analysis it is now possible to account for the effect of pH and ions in the electrolyte on the atomic structure of the interface.