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

本研究单元的基本研究目标是研究电催化中的基元反应步骤。然而，这个联合项目的新方法是，它不是实验，将铺平道路，并确定研究方向，通常是在合作研究计划，但该理论实际上将发挥主导作用，确定重要的问题，需要解决一个更好地了解电催化的基本反应步骤。尽管如此，实验和理论之间的反馈对于项目的成功实现至关重要，以便在两个学科之间创建一个给予和接受的情况。在表面科学的相关领域，其中在气-固界面的过程进行了研究，在过去的几十年里，有一个巨大的进步。这在很大程度上也是由理论表面科学的进步造成的。因此，理论和实验可以在同一个基础上进行合作，这导致了理论和实验小组之间解决表面科学问题的许多非常富有成效的合作。这种方法一般应转移到电化学，特别是电催化。因此，该研究单位的基本目标是将微观表面科学研究的严谨性应用于电化学表面科学意义上的固液界面。详细地说，电化学固液界面的结构，电极上的质子和电子转移反应，电催化C1化学中的反应，如甲醇氧化和纳米结构电极的结构-反应性关系将得到解决。这些项目不仅从基本的角度来看是有趣的，但也将在原则上任何研究电催化相关的，因为有关电化学反应的微观细节的知识也是重要的介观和宏观层面的理解。这也可能有助于电化学能量转换和储存的进步。

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.