Electron transfer in semiconductor electrodes with immobilized 3d metal complexes for photoelectrochemical water oxidation (B02)

• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: since 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 492723217

The project (Kümmel/Marschall/Weber) will develop and investigate a novel photoanode architecture for water oxidation. Tailor-made metal complexes will be immobilized as catalysts on highly active mesoporous semiconductor photoelectrodes. This will mediate the electron transport across the interfaces from the semiconductor to the complexes and the electrolyte, as well as the electrolyte transport in the channels of the pore system. Thus, electron transport is linked with mass transport inside the porous channels. Additional DFT calculations will yield information on the electronic coupling between the semiconductor-complex interfaces, and on the charge transport through the combined systems.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1585: Structured functional materials for multiple transport in nanoscale confinements
• Applicant Institution: Universität Bayreuth
• Project Heads: Professor Dr. Stephan Kümmel; Professor Dr. Roland Marschall; Professorin Dr. Birgit Weber