Unveiling the role of carbonate in nickel-based plasmonic core@shell hybrid nanostructure for photocatalytic water splitting

• Unveiling the role of carbonate in Ni-based core/shell plasmonic photocatalyst. Revealing amorphous NiCO 3 as an active side for H 2 reduction via DFT calculations. Enhancing photocatalytic activity by incorporation NiO a middle layer. Optimizing performance post-vacuum annealing thermal treatment. Though carbonates are known several decades, their sun-light driven photocatalysis is still hidden. Herein, boosted solar water splitting nickel-based hybrid nanostructures disclosed first time in-situ experiments and density-functional theory (DFT)-based Ni@NiO/NiCO core@shell (shell consisting crystalline ) nanostructure with varying size compositions studied hydrogen production. The visible light absorption at ?470 nm excludes possibility photocatalyst, emphasizing plasmon evolution. Under white irradiation, higher yield ?80 µmol/g/h vacuum annealed sample over pristine (?50 µmol/g/h) complements spectroscopic data results, uncovering site due to its unique electronic structure. This conclusion also supports time-resolved photoluminescence indicating that electrons originating from Ni transferred NiO. evolution rate can further be enhanced tuned between .