Speaker
Description
Gas-phase metal clusters can act as a good model system to investigate the active sites of more complex catalyst materials whose reaction mechanisms are poorly understood. However, such materials often comprise multiple elements with a mixing ratio optimized for better selectivity and reactivity based on screening. We present experiments using a controlled laser generation of bimetallic clusters, of which we study the interaction with small molecules. We do these investigations using a combination of mass-spectrometry and free-electron laser-based IR spectroscopy. The experimental work is complemented by DFT calculations, allowing for structure determination and rationalisation of the formed products. In a systematic study of the effect of element substitution, we elucidate the influence of local geometric and electronic structure on the interaction and, thus, of potential catalytic activity. In this contribution, we present our investigations on how doping of cationic cobalt clusters with foreign elements affects the adsorption modes of CO2. The experimental results pertain to CO2 reactions on pristine cobalt clusters doped with first-row transition elements (V, Cr, Mn, and Fe). These findings may aid in the design of future catalysts for CO2 hydrogenation to methanol or other C2 products.
