Ethene Oligomerization in Ni-Based Zeolites: Experimental and Theoretical Investigations of the Reaction Mechanism

We investigate ethene oligomerization in Ni-based zeolites, combining operando infrared spectroscopy, density functional theory calculations, micro-kinetic modeling and catalytic testing. We propose and model a catalytic cycle that is supported by experimental observations, hence providing a starting point for identifying rate-limiting factors to ultimately improve catalytic activity.