Research Progress in High-Throughput Screening of CO2 Reduction Catalysts


Wu, Q. ; Pan, M. ; Zhang, S. ; Sun, D. ; Yang, Y. ; Chen, D. ; Weitz, D. A. ; Gao, X. Research Progress in High-Throughput Screening of CO2 Reduction Catalysts. Energies 2022, 15, 6666. Copy at
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The conversion and utilization of carbon dioxide (CO2) have dual significance for reducing carbon emissions and solving energy demand. Catalytic reduction of CO2 is a promising way to convert and utilize CO2. 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 CO2 reduction catalysts. Here, recent advances in high-throughput screening of electrocatalysts for CO2reduction are reviewed. First, the mechanism of CO2 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 CO2 reduction electrocatalysts are outlooked. This review will be a valuable reference for future research on high-throughput screening of CO2 electrocatalysts.

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