Schuit Institute of Catalysis, Eindhoven University of Technology, Eindhoven, The Netherlands
Аннотация:
A DFT study of ethane activation over cadmium exchanged ZSM-5 zeolite shows that the interaction of C2H6 with the Cd2+ sites results in a strongly perturbed molecular adsorption leading to heterolytic cleavage of the C–H bond with a moderate activation barrier.