Configuration Matching Strategy to Control Selectivity in Heterogeneous Catalysis

作者：Yueqiang Cao, Xiaohu Ge, Gang Qian, Jing Zhang, Xinggui Zhou, De Chen, Weikang Yuan, Xuezhi Duan · 发表于：Accounts of Chemical Research · 年份：2025 · DOI：10.1021/acs.accounts.5c00671 · 被引用次数：7 · 研究领域：Asymmetric Hydrogenation and Catalysis、Catalytic C–H Functionalization Methods、Catalytic Cross-Coupling Reactions

Conspectus Heterogeneous catalysis is a fundamental process in the chemical industry, enabling the efficient transformation of reactants into valuable products across a wide range of chemical reactions. Selectivity in catalysis is critical for maximizing the desired products, minimizing byproducts, and enhancing the overall process efficiency, making it a cornerstone of green and sustainable chemical processes. While significant advances have been made in designing high-performance catalysts over the past few decades, achieving high selectivity remains a fundamental challenge due to the complexity of multiple competing reaction pathways. This issue is especially evident in reactions including hydrogenation, hydrogenolysis, and oxidation, where selective transformations, such as partial hydrogenation of alkynes to alkenes, require catalysts tailored to specific conditions. It has been well indicated that the reaction pathway in catalysis is strongly influenced by the adsorption configurations of reactants on the catalyst surface, underscoring the importance of designing catalysts capable of precisely regulating these configurations. However, achieving control over selectivity via the manipulation of adsorption configurations remains a significant challenge, as it requires the delicate tuning of active sites to selectively promote or suppress specific interactions. In recent years, our group has concentrated on the precise manipulation of adsorption configurations to achieve hi...