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

考察了金属铁基纳米粒子以及基于FeNC和FeN4的单原子催化剂在乙炔选择加氢制乙烯气相模型反应中的催化性能。催化剂的性能将与它们的组成相关，从而与它们基于吸附能作为实验描述符的催化剂表面的电子性质以及它们的氧化还原行为相关。对于纳米粒子，在催化过程中一氧化碳的合金化和表面中毒的作用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.