Boosting the Photocatalytic H₂ Evolution and Benzylamine Oxidation using 2D/1D g-C₃N₄/TiO₂ Nanoheterojunction

The present research aims at the elevation of solar-to-chemical energy conversion with extortionate performance and sustainability. The nanostructured materials are revolutionizing the water splitting technology into decoupled hydrogen with simultaneous value-added organic chemical production. Yet, the bottleneck in semiconductor photocatalysis is rapid charge recombination and sluggish reaction kinetics. Herein, we demonstrate an efficient and non-noble metal-based catalyst for successful redox reaction with a theoretical modeling through density functional theory (DFT) study. Implementing this robust approach on 2D/1D ultrathin g-C3N4 nanosheets and TiO2 nanowires heterojunction, we achieved H2 production of 5.1 mmol g–1 h–1 with apparent quantum efficiency of 7.8% under visible light illumination and 93% of benzylamine conversion to N-benzylidene benzylamine in situ. The interface of 2D g-C3N4 nanosheets and 1D nanowires provide ample active sites and extends the visible light absorption with requisite band edge position for the separation of photoinduced charge carriers with superior stability. The electronic properties, band structure, and stability of the heterojunction are further investigated via DFT calculations which corroborate the experimental results and in good agreement for the enhanced activity of the heterojunction.