SKM 2023 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 39: Poster Session: Heterogeneous Catalysis and Surface Dynamics

O 39.3: Poster

Dienstag, 28. März 2023, 18:00–20:00, P2/EG

Investigating Heterogeneous Catalysts by Design of Experiments — •Christian Kunkel, Frederic Felsen, Sina Stocker, Christoph Scheurer, and Karsten Reuter — Fritz-Haber-Institut der MPG, Berlin, Germany

Bringing new and improved heterogeneous catalysts to market can be economically and ecologically rewarding. Yet, catalyst development is tedious, as a plethora of experimental factors in synthesis, formation and operation potentially influence achievable educt conversion and/or product selectivity. In the planning phase of an investigation, such influences can often only inadequately be assessed based on literature knowledge, individual experience and chemical intuition, resulting in a too narrow scope of experimentation. Data-driven approaches are less biased, potentially offering a way out. Still, the amount of recordable experimental data remains to be a limiting factor even with modern (automated) multi-reactor setups, where only a few dozen data points are acquired in reasonable time. In this contribution we therefore illustrate the practical application of highly-efficient optimally designed experiments. Leveraging simultaneous factor-changes, these jointly extract a maximum of information from each experimental run. Using examples from our ongoing investigation of thin-film and powder catalysts, we illustrate how this approach leads to significant insights on catalytic behavior over a larger number of factors. With additional information coming from multiple characterization techniques, we also demonstrate how catalyst development can strongly benefit from jointly coordinated data-driven experimental efforts.