Influence of Promoters and Poisons on Iron (Alloy) Nanoparticles for the Selective Hydrogenation of Alkynes to Alkenes (C05)

研究了金属铁（合金）基纳米颗粒以及基于FeNC和FeN4的单原子催化剂在乙烯选择性加氢制乙烯气相模型反应中的催化性能。催化剂的性能将与其组成相关，因此，催化剂表面的电子性能基于吸附能作为实验描述符以及它们的氧化还原行为。对于纳米颗粒，合金的作用和催化过程中一氧化碳的表面中毒将使未来基于知识的铁基加氢催化剂的调整成为可能。

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.