Structure and composition of PtPd model catalysts under operando conditions: experiment and simulation (A05)

• Subject Area: Theoretical Chemistry: Molecules, Materials, Surfaces ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: since 2021
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 426888090

The goal of this project is to elucidate active sites and deactivation mechanisms of Pt-Pd based model catalysts on Al2O3 and CeO2 substrates with operando techniques during CO, methane as well as NO oxi-dation and reduction at the atomic scale. A combined experimental and theoretical approach will be pursued, unifying the most powerful methods such as surface sensitive X-ray diffraction in combination with mass spectrometry and kinetic Monte Carlo (kMC) simulations based on density functional theory. The shape and stability of Pt-Pd nanoparticles that is relevant for redispersion and sintering under oper-ating conditions will be investigated by time resolved X-ray experiments and calculations.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1441: Tracking the active site in heterogeneous catalysis for emission control (TrackAct)
• Applicant Institution: Karlsruher Institut für Technologie
• Project Heads: Dr. Philipp Pleßow; Professor Dr. Andreas Stierle