Searching novel complex solid solution electrocatalysts in unconventional element combinations

Abstract Despite outstanding accomplishments in catalyst discovery, finding new, more efficient, environmentally neutral, and noble metal-free catalysts remains challenging unsolved. Recently, complex solid solutions consisting of at least five different elements often named as high-entropy alloys have emerged a new class electrocatalysts for variety reactions. The multicomponent combinations facilitate tuning active sites catalytic properties. Predicting optimal composition difficult, making testing very high number them indispensable. We present the high-throughput screening electrochemical activity thin film material libraries prepared by combinatorial co-sputtering metals which are commonly used catalysis (Pd, Cu, Ni) combined with not (Ti, Hf, Zr). Introducing unusual search space allows discovery hitherto unknown compositions. Material similar spreads can show activities vs. trends In order to address inherent challenge huge inability predict electrocatalyst compositions, we developed process based on co-sputtered libraries, performed characterization using energy dispersive X-ray spectroscopy (EDS), scanning transmission electron microscopy (SEM), diffraction (XRD) conductivity measurements followed means droplet cell. results surprising compositions increased oxygen reduction reaction hydrogen evolution reaction. Such data important input future data-driven materials prediction.