Regensburg 2010 – scientific programme

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O: Fachverband Oberflächenphysik

O 73: Solid/liquid interfaces II (focussed session)

O 73.3: Invited Talk

Thursday, March 25, 2010, 16:00–16:30, H33

Computer Simulation of Electrolyte / Solid Interfaces — •Eckhard Spohr — Lehrstuhl fuer Theoretische Chemie, Universitaet Duisburg-Essen, D-45141 Essen, Germany

This talk will review the state of the art and recent advances of atomistic computer simulations of interfaces between electrolytes and electrolyte solutions and solid interfaces. I will focus on the simulation of charged interfaces and systems of electrochemical importance. Simulation methodology and several examples from various research groups including our own will be discussed in some detail. The examples will cover structural aspects, interfacial dynamics, and prototypical electrochemical reactions such as proton discharge on metal electrodes.