Overcoming the scaling relations by introducing hemilabile coordination in single-atom catalysts

The design of efficient catalysts is critical to addressing global energy and environmental issues. Traditional catalyst optimization based on the Sabatier principle encounters inherent limits due to the scaling relationship between adsorbate binding energies, preventing independent optimization of reactant activation and product desorption. Single-atom catalysts (SACs) offer a unique ability to bridge the advantages of both homogeneous and heterogeneous catalysis. Hemilability, an important concept in homogeneous catalysis, has been introduced into SACs as a promising strategy to bypass the constraints imposed by the scaling relationship. Hemilability involves a reversible opening and closing of coordination sites, enabling SACs to dynamically alter their electronic structure and efficiently decouple the competing requirements of activation and desorption. The concept of hemilability offers a new insight into the dynamics of the active centers in SACs, and opens a new avenue for designing SACs that can circumvent the scaling relationships to live up to the full potential.