Research Progress in High-Throughput Screening of CO 2 Reduction Catalysts

The conversion and utilization of carbon dioxide (CO 2 ) have dual significance for reducing carbon emissions and solving energy demand. Catalytic reduction of CO 2 is a promising way to convert and utilize CO 2 . However, high-performance catalysts with excellent catalytic activity, selectivity and stability are currently lacking. High-throughput methods offer an effective way to screen high-performance CO 2 reduction catalysts. Here, recent advances in high-throughput screening of electrocatalysts for CO 2 reduction are reviewed. First, the mechanism of CO 2 reduction reaction by electrocatalysis and potential catalyst candidates are introduced. Second, high-throughput computational methods developed to accelerate catalyst screening are presented, such as density functional theory and machine learning. Then, high-throughput experimental methods are outlined, including experimental design, high-throughput synthesis, in situ characterization and high-throughput testing. Finally, future directions of high-throughput screening of CO 2 reduction electrocatalysts are outlooked. This review will be a valuable reference for future research on high-throughput screening of CO 2 electrocatalysts.