FOR 1376: Elementary Reaction Steps in Electrocatalysis: Theory Meets Experiment

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The basic research goal of this Research Unit is to study elementary reaction steps in electrocatalysis. The novel approach of this joint project is, however, that it is not the experiment that will pave the way and determine the research direction, as is usually done in collaborative research programmes, but that theory will in fact take a leading role by defining important issues that need to be addressed for a better understanding of elementary reaction steps in electrocatalysis. Still, the feedback between experiment and theory is crucial for the successful realisation of the projects so that a give and take situation is created between the two disciplines. In the related field of surface science, in which processes at the gas-solid interface are studied, there has been a tremendous progress in the last decades. This is also caused to a large extent by advances in theoretical surface science. Hence, theory and experiment can collaborate on the same footing, which has resulted in numerous very fruitful collaborations between theoretical and experimental groups addressing surface science problems. This approach shall be transferred to electrochemistry in general and electrocatalysis in particular. Therefore, the fundamental aim of this Research Unit is to apply the rigor of microscopic surface science studies to the solid-liquid interface in the sense of an electrochemical surface science. In detail, the structure of the electrochemical solid-liquid interface, proton and electron transfer reactions at electrodes, reactions in electrocatalytic C1 chemistry such as methanol oxidation and the structure-reactivity relationship of nanostructured electrodes shall be addressed. These projects are not only interesting from a fundamental point of view but will also be of relevance for in principle any study in electrocatalysis since the knowledge about microscopic details of reactions in electrochemistry is also important for an understanding at the mesoscopic and macroscopic level. This may also contribute to advances in the electrochemical energy conversion and storage.