Optimizing the coordination environment of active sites to enhance heterogeneous electrocatalytic performances

The design of the structure and catalytic function of electrocatalysts is an important core technology to solve the energy crisis. To realize the construction of ideal electrocatalysts, it is necessary to understand the structure-activity relationship between the internal structure (physical structure, electronic structure, electrochemical structure, etc.) of the active sites in electrocatalysts and the heterogeneous electrocatalytic performance from a comprehensive perspective. Obviously, the internal structure of electrocatalysts mainly depends on the actual coordination environment of their active sites. Generally, the coordination environment of the active site covers many aspects, such as coordination number (C.N.), bonding type, steric hindrance, bond length and bond angle, density of active center, etc. By establishing a structure-activity relationship between the coordination environment and the heterogeneous electrocatalytic performance, the design of the ideal coordination environment model of the active site is guided. Moreover, according to the type of catalyst and the location of the active site, the appropriate coordination environment control strategies were proposed for the active site at the bulk catalyst, the heterointerface, the carrier, as well as the electrocatalytic reaction interface, respectively. In particular, the local coordination environment of electrocatalytic reaction interface, as an important factor that directly affects the electrocatalytic performance, is often neglected. Then, the visualization of the coordination environment of the active site is realized by electron microscopy, spectroscopy configuration and In-situ monitoring techniques. Finally, this work summarizes the optimization of the coordination environment for the heterogeneous electrocatalytic reaction, and puts forward personal perspectives on the current challenges. We believe that this work will achieve the directional construction of high-efficiency electrocatalysts guided by the coordination environment of active sites, pointing out the direction for developing new energy in the future.