Coupling of the water-splitting mechanism and doping-mixture method to design a novel Cr-perovskite for rapid and efficient solar thermochemical H2 production

Abstract

Solar thermochemical water-splitting (STWS) via a two-step redox reaction is a promising H₂ production technique, but the quantity and performance limitations of perovskite materials motivate the discovery of novel high-performance candidates. Through oxygen vacancy-driven water-splitting mechanism analysis and doping-mixture modification, a Cr-perovskite is designed for STWS cycling. The maximum H₂ yield is 449.8 μmol g⁻¹ and the average H₂ production rate is 4.5 μmol g⁻¹ min⁻¹, indicating that the excellent comprehensive performance exceeds that of previous study reports. Besides, the designed material shows a stable H₂ yield among ten cycles with 0.06% yield loss. Mechanism-supported STWS material design and modification is a desirable route to search for potential materials with promising thermochemical H₂ production capacity.