Coordination Funds

在能源转型的背景下，风能和太阳能等可再生能源的供应波动是最大的挑战之一。在有风和阳光的日子里产生的电力可以以化学能量载体的形式储存，如氢或碳氢化合物。这需要在外部控制的动态反应条件下使用催化剂、反应器和电化学电池。迄今为止，动力学条件对催化反应体系的影响一直被低估。一方面，通过动态操作，有可能增加所需反应产物的产率，并在静止相中重新激活催化剂。另一方面，纳米结构催化剂必须是稳定的。这就是当前优先项目的作用所在。应用于当前的能量转换问题，在一个跨学科的研究方案中，对动态条件下固体催化剂的微观过程及其对活性、选择性和稳定性的影响有了基本的了解。在跨学科合作的五个密切相关的学科领域中，研究了动态操作的基本和方法挑战：(A)使用“operando”方法进行表征，即在反应条件下，了解在动态条件下“起作用”的固体催化剂。(B)在动态反应条件下形成的活性相和催化剂上发生的基本步骤的预测理论描述。(C)结合原子信息的动力学和多尺度建模，以了解催化剂和电极在工程和动态条件下的行为。(D)稳定催化活性表面结构的工程材料，并在周期性反应条件下对其进行研究。(E)在瞬态条件下进行系统研究的新型反应器和电解槽概念。预期的知识增益将使催化系统在未来的动态条件下有效运行。对这一问题的基本理解将通过能量储存和转换反应的例子来发展，并将为未来的技术应用奠定基础。

In the context of the energy transition, the fluctuating availability of renewable energies such as wind and solar power represents one of the greatest challenges. Electricity generated on windy and sunny days can be stored in the form of chemical energy carriers such as hydrogen or hydrocarbons. This requires the use of catalysts, reactors and electrochemical cells under externally controlled dynamic reaction conditions. The influence of dynamic conditions on catalytic reaction systems has so far been underestimated. On the one hand, there is the potential to increase the yield of desired reaction products and reactivate catalysts in quiescent phases by dynamic operation. On the other hand, the nanostructured catalysts must be stabilized. This is where this the present priority program steps in. Applied to current questions of energy transition a basic understanding of microscopic processes on solid catalysts under dynamic conditions and their effects on activity, selectivity and stability is developed in an interdisciplinary research programme. Fundamental and methodological challenges of dynamic operation are investigated in five closely related subject areas in interdisciplinary collaborations: (A) Characterization using "operando" methods, i.e., under reaction conditions, to understand solid catalysts "at work" under dynamic conditions.(B) Predictive theoretical description of active phases forming under dynamic reaction conditions and elementary steps occurring on the catalyst.(C) Kinetics and multiscale modeling incorporating atomic information to understand the behaviour of catalysts and electrodes under engineering and dynamic conditions.(D) Engineered materials to stabilize catalytically active surface structures and to study them under periodic reaction conditions.(E) Novel reactor and electrolyser concepts for methodical investigations under transient conditions.The expected gain in knowledge should enable the efficient operation of catalytic systems under dynamic conditions in the future. The fundamental understanding of this will be developed using the example of reactions for energy storage and conversion and will create the basis for future technical applications.