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O: Fachverband Oberflächenphysik

O 13: Solid-liquid interfaces: Reactions and electrochemistry I

O 13.7: Vortrag

Montag, 9. März 2026, 16:30–16:45, TRE/PHYS

Selectivity in Electrochemical Oxidation Reactions: Challenges in Ethylene Epoxidation — •Pauline Schütt and Alexander Bagger — Department of Physics, Technical University of Denmark

Electrochemical technologies play a central role in the sustainable production of fuels and chemicals, but their applications remain limited due to significant overpotentials and challenges in controlling selectivity. Alternative oxidation reactions could potentially generate value-added products on the anode side of electrochemical cells, but typically suffer from competition with the oxygen evolution reaction (OER).[1] Density functional theory (DFT) predictions and concepts from computational catalysis provide useful tools to systematically analyze selectivity and establish trends across different catalyst and reaction systems.[2] We here discuss key challenges restricting such alternative oxidation reactions and their competition with the OER, with a focus on ethylene epoxidation.

[1] L. F. T. Novaes et al. Chemical Society Reviews 50(14), 7941-8002 (2021).

[2] P. Schütt, L. Karlsson and A. Bagger, in preparation, (2026).

Keywords: Electrocatalysis; Alternative oxidation reactions; Selectivity; Computational modelling; DFT