Utilization of neural network potential for determining perovskite-type metal oxide photocathodes capable of producing hydrogen

Abstract

Metal–oxide-based photoelectrodes are promising candidates for water splitting because of their stability, but there is a lack of metal–oxide-based photocathodes. We proposed a method for determining such photocathodes by utilizing neural network potential, leading to the experimental discovery of a new PrCrO₃ photocathode capable of photoelectrochemically producing hydrogen in aqueous solution.