Single‐Atom Catalysts for Hydrogen Activation

Abstract Selective hydrogenation is one of the most important reactions in fine chemical industry, and the activation of H 2 is the key step for hydrogenation. Catalysts play a critical role in selective hydrogenation, and some single‐atom catalysts (SACs) are highly capable of activating H 2 in selective hydrogenation by virtue of the maximized atom utilization and the highly uniform active sites. Therefore, more research efforts are needed for the rational design of SACs with superior H 2 ‐activating capabilities. Herein, the research progress on H 2 activation in typical hydrogenation systems (such as alkyne hydrogenation, hydroformylation, hydrodechlorination, hydrodeoxygenation, nitroaromatics hydrogenation, and polycyclic aromatics hydrogenation) is reviewed, the mechanisms of SACs for H 2 activation are summarized, and the structural regulation strategies for SACs are proposed to promote H 2 activation and provide schemes for the design of high‐selectivity hydrogenation catalysts from the atomic scale. At the end of this review, an outlook on the opportunities and challenges for SACs to be developed for selective hydrogenation is presented.