Abstract

Single‐atom catalysts provide an ideal platform to bridge the gap between homogenous and heterogeneous catalysts. Here, the recent progress in this field is reported from the perspectives of static regulation and dynamic evolution. The syntheses and characterizations of single‐atom catalysts are briefly discussed as a prerequisite for catalytic investigation. From the perspective of static regulation, the metal–support interaction is illustrated in how the supports alter the electronic properties of single atoms and how the single atoms activate the inert atoms in supports. The synergy between single atoms is highlighted. Besides these static views, the surface reconstruction, such as displacement and aggregation of single atoms in catalytic conditions, is summarized. Finally, the current technical challenges and mechanistic debates in single‐atom heterogeneous catalysts are discussed.

Highlights

  • Introduction culesThe strong metal–support interaction guarantees electron transfer between metal atoms and supports

  • Wang et al quantitatively depicted the profile of metal–support interaction for single-atom catalysts from the perspective that Rh dimers in [Rh2(C2H5)2] species promoted the scission of H H bond, resulting in more efficient hydrogenation of ethylene than Rh monomers in [Rh(C2H4)2] complexes.[22a,32] Bao and co-workers revealed that single Fe sites embedded of the highest occupied state (HOS)

  • Single-atom catalysts behave similar to homogeneous catalysts and retain heterogeneous catalysts’ advantage of recycling, thereby bridging the huge gap between these two catalyst systems

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Summary

Synthetic Approaches

Fabrication of single-atom catalysts is the prerequisite for further investigation of their catalytic performance and mechanisms. Typical synthetic approaches involve two steps: coordinating the ensemble composed of active metal species with the supports; removing the residual ligands from single metal sites (Figure 1). Hongliang Li received his B.S. degree in condensed physics at the University of Science and Technology of China in 2015 He is currently a Ph.D. candidate with Prof. Jie Zeng received his B.S. degree in applied chemistry at the University of Science and Technology of China in 2002 and his Ph.D. in Condensed Matter Physics Since 2012, he has held the position of Professor for Chemistry in the Hefei National Laboratory for Physical Sciences at the Microscale His current research focuses on heterogeneous catalysis including atomic-level design of active sites and understanding of catalytic mechanisms. Selective hydrogenation of CO2, nitro compounds, butadiene, styrene, acetylene, aldehydes Cross-coupling reactions Water-gas shift Steam reforming, methanol reforming

Characterization Methods
Static Regulation of Single-Atom Catalysts in Thermal Catalytic Reactions
Dynamic Evolution of Single-Atom Catalysts in Thermal Catalytic Reactions
Conclusions and Prospects
Findings
Conflict of Interest
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