Modulation of the multiphase phosphorus/sulfide heterogeneous interface via rare earth for solar‐enhanced water splitting at industrial‐level current densities

Abstract Photoelectrically coupling water splitting at high current density is a promising approach for the acquisition of green hydrogen energy. However, it places significant demands on the photo/electrocatalysts. Herein, rare earth elements doping NiMoO 4 ‐based phosphorus/sulfide heterostructure nanorod arrays (RE‐NiMo‐PS@NF RE = Y, Er, La, and Sc) are obtained for solar‐enhanced electrocatalytic water splitting at high current densities. The results of the experiment and density‐functional theory studies illustrate that the Y element as a dopant not only makes the NiMoP 2 /NiMo 3 S 4 /NiMoO 4 heterostructure exhibit excellent solar‐enhanced electrocatalytic activity (hydrogen evolution reaction HER: η 1000 = 211 mV, oxygen evolution reaction OER: η 1000 = 367 mV) but also optimizes the heterostructure interfacial electron density distributions and HER free energy. In addition, Y‐NiMo‐PS@NF achieves 18.64% solar‐to‐hydrogen efficiency. This study not only provides a new way to synthesize heterostructure electrocatalysts but also inspires the application of solar enhancement strategies for high current density water splitting.