Abstract

This study reports the activities of different Pdn/CeO2−δ, (n = 3, 4) catalytic systems for the oxidative addition of bromobenzene, which has been reported to be the rate determining step of various C–C coupling reactions. We reported the adsorption energetics of bromobenzene and oxidative addition barriers for a series of Pdn/CeO2−δ catalytic systems differing in the exposed surface planes of ceria. Our investigations highlight the support CeO2 to act as charge donor during the oxidative addition, resulting in a substantial decrease in the activation barriers when compared to those over the corresponding free Pdn clusters. Pristine CeO2(110) and subsurface vacancy defected CeO2(111) surfaces were concluded to be suitable supports which provided stronger anchors for Pdn clusters and offered reduced activation barriers for oxidative addition.

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