Faculty of Chemistry

What we are doing

Our current research is part of the DFG-funded Collaborative Research Center (SFB/TRR 247) and is dedicated to "Heterogeneous Oxidation Catalysis in the Liquid Phase". In other words, we are working on accelerating the production of liquid chemicals on the surfaces of solid-state materials. We are investigating fundamental optimization processes that enable rational design and improvement of abundant and low-cost oxides as an alternative to expensive metals for their potential use as catalytic materials to produce environmentally friendly chemical fuels.

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Fig. 1: Oxidation of Ethylene glycol
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We are conducting ab initio simulations to help bringing the understanding of oxides liquid phase oxidation catalysis, on which most industrial processes are based, to the same level as that of the already well-established gas phase catalysis on metals. We work in an interdisciplinary environment, and we are providing computational expertise to various experimental projects within the SFB/TRR 247 and beyond, to shed light on important and fundamental aspects of heterogeneous liquid phase catalysis on oxide surfaces. This includes electro-, thermal- and photo-catalysis.

Also, we are involved in many collaborations with physicists and chemists outside the CRC 247 consortium, in Germany as well as in the rest world. Mostly via joint experimental and theoretical studies we investigate together transition metal dichalcogenides, perovskites and Heuslers materials for catalysis, energy and environmental research. A strong focus is devoted to scientists from Africa with the aim of bridging computational sciences and experimental research that miss the most on the continent.