Insights into the Mechanism of Photocatalytic Water Reduction by DFT-Supported In Situ EPR/Raman Spectroscopy


  • This work was supported by Evonik Degussa GmbH (financed in part by the State of North Rhine Westphalia and cofinanced by the European Union Investing in our Future, European Regional Development Fund). F.G. thanks the Fonds der Chemischen Industrie for a Kekulé grant. DFT=density functional theory.


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Light on the water: The coupling of Raman and EPR spectroscopy was crucial in the study of the activation, operation, and deactivation steps in the light-driven splitting of water catalyzed by iridium and iron. The results may provide the foundation for improved water-reduction catalysts. IrPS=iridium photosensitizer, TEA=triethylamine.