Selective hydrogenation is a key reaction in the chemical industry, playing an essential role in petrochemical refining, fine chemical synthesis, pharmaceutical manufacturing, and environmental applications. The ability to precisely control hydrogenation selectivity is particularly critical for reactions involving multifunctional molecules, where over-hydrogenation or undesired side reactions can significantly reduce product value. In recent years, single-atom catalysts (SACs) have emerged as a promising class of catalytic materials capable of addressing these challenges. A recent review provides a systematic overview of the latest advances in selective hydrogenation enabled by SACs, highlighting their potential to deliver high efficiency and selectivity with minimal metal usage.
This review comprehensively summarizes recent progress in the development of SACs for selective hydrogenation reactions. Featuring atomically dispersed metal sites anchored on solid supports, SACs offer nearly 100% atomic utilization and well-defined active centers, distinguishing them from conventional nanoparticle-based catalysts. The article categorizes SACs according to metal types, including noble metal, non-noble metal, and bimetallic systems, and compares their catalytic performances across a wide range of hydrogenation reactions. Emphasis is placed on how metal identity, coordination environment, and metal–support interactions govern hydrogen activation, substrate adsorption, and reaction selectivity.
In addition to experimental advances, the review highlights the growing role of atomistic modeling and theoretical calculations in understanding selective hydrogenation over SACs. Density functional theory and microkinetic modeling are discussed as powerful tools for elucidating reaction pathways, identifying key intermediates, and establishing structure–activity relationships at the atomic scale. By integrating computational insights with experimental evidence, the review illustrates how rational catalyst design can be achieved, enabling the selective hydrogenation of specific functional groups while suppressing undesired reactions.
The review also critically discusses current challenges associated with SACs, including their long-term stability, synthesis scalability, and the dynamic evolution of single-atom sites under reaction conditions. Particular attention is given to the tuning of coordination environments and the development of bimetallic and dual-single-atom catalysts, which offer additional opportunities to enhance activity and selectivity through synergistic effects. These challenges and opportunities are analyzed in the context of future industrial applications, providing guidance for translating fundamental research into practical catalytic technologies.
Overall, this review presents an integrated and forward-looking perspective on the role of single-atom catalysts in selective hydrogenation. By combining experimental advances, mechanistic insights, and theoretical modeling, it underscores the potential of SACs as a next-generation catalytic platform for sustainable and highly efficient hydrogenation processes. The work serves as a valuable reference for researchers seeking to design advanced catalysts and for the broader catalysis community aiming to develop greener and more efficient chemical processes. The results were published in Chinese Journal of Catalysis (DOI: 10.1016/S1872-2067(25)64906-0 )
About the Journal
Chinese Journal of Catalysis is co-sponsored by Dalian Institute of Chemical Physics, Chinese Academy of Sciences and Chinese Chemical Society, and it is currently published by Elsevier group. This monthly journal publishes in English timely contributions of original and rigorously reviewed manuscripts covering all areas of catalysis. The journal publishes Reviews, Accounts, Communications, Articles, Highlights, Perspectives, and Viewpoints of highly scientific values that help understanding and defining of new concepts in both fundamental issues and practical applications of catalysis. Chinese Journal of Catalysis ranks among the top six journals in Applied Chemistry with a current SCI impact factor of 17.7. The Editors-in-Chief are Profs. Can Li and Tao Zhang.
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