Adsorption of Molecules on Defective CeO<sub>2</sub> for Advanced Catalysis
Sai Zhang, Zhimin Tian, Yuanyuan Ma, Yongquan Qu
Abstract
Adsorption of molecules on active sites of heterogeneous catalysts significantly affects their catalytic performance, which provides a perspective to understand the catalytic process/mechanism at the atomic level and to establish structure–function relationships. This Perspective illustrates a strong correlation between the adsorption of reactants on CeO 2 -based catalysts and their improved catalytic activity and/or selectivity for various transformations. Regulating the oxygen defect of CeO 2 provides an effective approach to construct two typical active sites of a frustrated Lewis pair (FLP) and dual-active site. Benefiting from the unique spatial and electronic structures, the FLP sites exhibit an “embedded” adsorption configuration of small molecules, promoting their effective activation and transformation. The dual-active sites constructed by metal clusters and oxygen vacancy of CeO 2 could break the competitive adsorption of various molecules and thereafter enable highly active and selective hydrogenations. Finally, the possibilities and challenges in the adsorption behaviors of various molecules on CeO 2 -based catalysts are outlined. The tailorability of adsorption strength and selective configuration of molecules on active sites are anticipated to stimulate and guide the design of high-performing catalysts.