Unravelling catalytically active sites with X-ray absorption spectroscopy

In the proposed project, we will use X-ray absorption spectroscopy to shine light on the active site in heterogeneous catalysis. The project combines experimental in-situ studies where the phase of the catalyst is probed simultaneously with activity and selectivity measurements, and theoretical spectroscopy based on ab initio density functional theory calculations. Specifically, we will develop a methodology for interpretation of experimental X-ray absorption spectra based on theory. The approach will increase the impact of heterogeneous catalysis research in Sweden by establishing a combined methodology that presently is absent.