Efficient Charge Migration in Chemically-Bonded Prussian Blue Analogue/CdS with Beaded Structure for Photocatalytic H2 Evolution

The design of a powerful heterojunction structure and the study of the interfacial charge migration pathway at the atomic level are essential to mitigate the photocorrosion and recombination of electron-hole pairs of CdS in photocatalytic hydrogen evolution (PHE). A temperature-induced self-assembly strategy has been proposed for the syntheses of Prussian blue analogue (PBA)/CdS nanocomposites with beaded structure. The specially designed structure had evenly exposed CdS which can efficiently harvest visible light and inhibit photocorrosion; meanwhile, PBA with a large cavity provided channels for mass transfer and photocatalytic reaction centers. Remarkably, PB-Co/CdS-LT-3 exhibits a PHE rate of 57 228 μmol h -1 g -1 , far exceeding that of CdS or PB-Co and comparable to those of most reported crystalline porous material-based photocatalysts. The high performances are associated with efficient charge migration from CdS to PB-Co through CN-Cd electron bridges, as revealed by the DFT calculations. This work sheds light on the exploration of heterostructure materials in efficient PHE.