Atomic Scale Mechanisms of the Electrocatalytic Oxygen Evolution Reaction (C04)

Subject Area Experimental Condensed Matter Physics
Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
Term since 2024
Project identifier Deutsche Forschungsgemeinschaft (DFG) - Project number 510228793
 

Project Description

The project aims at unravelling the mechanism of electro-/photochemically driven water oxidation with (doped) ZnO catalsts and developing predictors and tuning strategies for catalytic activity/selectivity. Environmental transmission electron microscopy (E-TEM) will deliver information on the active states and surface dynamics, while time-resolved X-ray spectroscopy will give access to the interfacial electron dynamics. Quantitative analysis of the PCET mechanisms will be constructed quantum-chemically with high-dimensional neural network potentials. C04 collaborates with A02/A03/C03 (X-ray spectroscopy), C02 (adsorption energies), C03 (theory), C03/C05 (photo/electrocatalysis), C05 (sample preparation), and Ö01 (public outreach).
DFG Programme Collaborative Research Centres
Subproject of SFB 1633:  Pushing Electrons with Protons – Unifying Multi-Electron Redox Catalysis by Proton-Coupled Electron Transfer
Major Instrumentation OneView Camera
Instrumentation Group 5230 Densitometer, Mikrophotometer, Fluoreszenz-, Lumineszenz-Imagingsysteme
Applicant Institution Georg-August-Universität Göttingen
Project Heads Professor Dr. Jörg Behler; Professor Dr. Christian Jooss; Professorin Dr. Simone Techert