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SFB 1633:  Pushing Electrons with Protons – Unifying Multi-Electron Redox Catalysis by Proton-Coupled Electron Transfer

Subject Area Chemistry
Biology
Materials Science and Engineering
Physics
Term since 2024
Project identifier Deutsche Forschungsgemeinschaft (DFG) - Project number 510228793
 
The CRC aims at facilitating new strategies for redox catalysis as key enabling methodology of sustainable chemical synthesis and energy conversion based on renewable feedstock (CO2, O2, H2O, N2, biomass). For this purpose, it will focus on the physicochemical phenomenon that controls the redox transformations of these chemically diverse and unreactive substrates, i.e., the thermochemical and kinetic coupling of proton and elec-tron transfer (PCET). The central paradigm of the CRC is that advancing the fundamental understanding of PCET provides unifying strategies across all branches of catalysis (homogeneous, enzymatic, heterogeneous) to obtain new methodologies that mediate energy-efficient redox transformations of chemically inert, regenera-tive feedstock. As grand challenges, the CRC aims at (a) expanding concepts for (photo/electro)catalysis from redox-based to PCET-based strategies, (b) advancing PCET models towards key species relevant to catalysis, (c) connecting PCET models to chemical and electronic structure descriptors of active sites, (d) controlling PCET mechanisms with modular strategies for synthesis, and (e) utilizing quantum effects for selectivity con-trol. The projects will focus on selected PCET-active key species for oxidative and reductive catalysis, i.e., (doped) oxide semiconductors (ZnO), as well as molecular and biological oxo/oxyl, nitrido and hydrido spe-cies. Methodological and conceptual collaborations within and across subdisciplines will be organized in two dimensions: (a) The Project Groups (A: Molecular PCET, B: Biological PCET, C: Interfacial PCET) will close the ‘utilization gap’ between predictive modelling of ground and excited state (multi-)PCET mechanisms and its utilization for PCET-driven (photo/electro)catalytic protocol development. (b) The Working Groups (I: The PCET Site, II: Enabling Catalysis, III: Beyond Catalyst Design) aim at closing the ‘modelling gap’ between disciplines by joint development and transfer of PCET control strategies that are based on nine selected phenomena, which control the interaction of local PECT sites with their tunable environment (proton tunneling, electron/spin dynamics, reorganization energies, hydrogen bonding, electron de-/localization, structural reorganization, pro-ton supply, electric field effects, ionic auxiliaries). The scientific approach of the CRC relies on advanced syn-thetic, spectroscopic, imaging, kinetic, electrochemical, and quantum-chemical methods that cover all neces-sary energy regimes, length scales, and time scales to jointly develop a comprehensive picture for the phe-nomenon PCET and utilize it to control the targeted redox transformations.
DFG Programme Collaborative Research Centres

Current projects

Applicant Institution Georg-August-Universität Göttingen
 
 

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