C05

The catalytic performance of metallic iron (alloy)-based nanoparticles as well as single atom catalysts based on FeNC and FeN4 will be investigated in the selective hydrogenation of ethyne to ethene as gas phase model reaction. The catalysts performance will be correlated to their composition and hence, their electronic properties of the catalyst surface based on adsorption energies as experimental descriptors as well as their redox behaviour. For the nanoparticles the role of alloying and surface poisoning from carbon monoxide during catalysis will enable a knowledge-based tuning of Fe-based hydrogenation catalysts in the future.