Theory Department

Water electrolysis is pivotal for sustainable energy systems, enabling hydrogen fuel production, which can be used in chemical industry, steel production, and electricity generation. The development of efficient catalysts for the Oxygen Evolution Reaction (OER) is crucial for advancing Proton Exchange Membrane (PEM) water electrolysis, with iridium-based OER catalysts showing promise despite the challenges related to their dissolution. Collaborative research by the Helmholtz-Zentrum Berlin für Materialien und Energie GmbH and the Fritz-Haber-Institut has provided insights into the mechanisms of OER performance and iridium dissolution for amorphous hydrous iridium oxides, advancing the understanding of this critical process. more

Strategic partnership on optoionics between TUM and Max Planck Society more

The Theory Department at the Fritz Haber Institute successfully launched its first Repair Club, initiated by postdoctoral researcher Martin Deimel in collaboration with the ELAB. The event brought together colleagues to learn and share skills in repairing electronic devices, focusing on replacing batteries in older laptops. more

From July 8th to 16th, the Zuse Institute hosted the CECAM Flagship Workshop titled “Machine Learning of First Principles Observables.” Organized by the Theory Department of the Fritz Haber Institute, the workshop focused on addressing the increasing demand for advanced models, workflows, and databases. The workshop effectively pinpointed key areas for enhancement in predicting observables from first principles and laid the groundwork for a collaborative network to drive future research initiatives. more

The Theory Department of the Fritz Haber Institute calls attention to catalyst morphology as a key factor in determining what product is being formed during an electrocatalytic reaction. The analysis, published in Nature Catalysis, explores how the ‘roughness’ of a catalyst surface changes the selectivity for a number of technologically important reactions, including the electrochemical conversion of CO₂ into fuels and H₂O formation in fuel-cells. The results offer a new perspective on how catalyst design could optimize electrochemical processes, while challenging the traditional picture that focuses entirely on the nature of the active site at the atomic level. more