Direct Z‐Scheme Heterostructure of Nanoparticle‐CdSe on Nanorod‐NaNbO₃: Facile Hydro‐thermal Construction and Superior Photocatalytic Activity and Stability in H₂ Evolution

The advancement of exceptionally effective catalysts that are photostable is significantly important for the sustainable conversion of solar energy into hydrogen. Combining the strengths of NaNbO 3 and CdSe in a fabricated heterojunction has been pursued in photocatalysis to enhance the performance while addressing CdSe′s stability. In this study, nanoparticle‐CdSe was deposited on NaNbO 3 nanorods via hydrothermal method, and the optimal composite ratio of CdSe/NaNbO 3 heterojunction achieved a photocatalytic hydrogen production of 2510 μmol g −1 h −1 . The enhancement is ascribed to the formation of a Z‐scheme heterojunction by the interface contact between CdSe and NaNbO 3 .The migration of electrons from NaNbO 3 to CdSe was revealed by charge density difference results in DFT calculation. Work function of samples demonstrated the equilibrium of Fermi level and a corresponding shift of the band structure in the heterojunction. The H adsorption free energy (ΔG H* ) for the heterojunction was 0.26 eV, suggesting a reduced energy barrier for hydrogen generation. Notably, the stable structure of NaNbO 3 endows the composites with excellent chemical stability, maintaining more than 80 % activity after six hydrogen production cyclic tests. This work offers valuable insights into the development of direct Z‐scheme structure catalysts for photocatalytic water splitting.