High‐Throughput UV‐Induced Synthesis and Screening of Alloy Electrocatalysts

Abstract The combination of different elements in alloy catalysts can lead to improved activity as it provides opportunities to tune the electronic structures of surface atoms. However, the synthesis and performance screening of alloy catalysts through a vast chemical space are cost‐ and labor‐intensive. Herein, a UV‐induced, high‐throughput method is reported for the synthesis and screening of alloy electrocatalysts in a fast and low‐cost manner. A platform that integrates 37 mini‐reaction‐cells enables simultaneous UV‐induced photodeposition of alloy nanoparticles with up to 37 compositions. These mini‐reaction‐cells further allow a transfer‐free, high‐throughput electrochemical performance screening. Binary (PtPd, PtIr, PdIr), ternary (PtPdIr, PtRuIr) and quaternary (PtPdRuIr) alloys have been synthesized with the activity of the binary alloys (57 compositions) for hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) being screened. The predicted high performance of identified alloy compositions are subsequently validated by standard measurements using a rotating disk electrode configuration. It is found that the as‐synthesized alloy nanoparticles are rich in twin boundaries and thus possess lattice strain. Density functional theory calculation implies that the high ORR activity of the screened Pt 0.75 Pd 0.25 alloy originates from the interplay between the differentiated adsorption sites because of alloying and the strain‐induced modulation of the d‐band center.