Infrared Spectroscopy and Quantum Chemical Calculations on Oxide-Supported Metal Particles/Clusters (A04)

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

Project A04 focuses on a thorough surface science study on the adsorption and reactions of NH3, CH4, and VOCs on metal/oxide model systems by combining IR investigations and DFT calculations. We aim at a profound insight into the complex surface chemistry of noble metals (Pt, Pd, Ru) deposited on oxide nanoparticles (CeO2, TiO2, Al2O3) based on comprehensive reference data collected for single crystal systems. The structural and electronic properties of metal clusters in gas phase and on surfaces will be studied by quantum chemical methods. Furthermore, defects and dopants will be characterized by a combination of IRRAS and embedded cluster 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: Professorin Dr. Karin Fink; Dr. Yuemin Wang