Synergetic Effect of C@Fe₂O₃/C₃N₄ Heterostructure Composite for Enhanced Photocatalytic CO₂ Reduction

Abstract To effectively reduce environmental pollution, this study explores the synthesis and performance of a distinctive (C@Fe₂O₃/C₃N₄) heterostructure composite photocatalyst. Using a multi‐technique approach, all possible characterizations related to structure, morphology, and physiochemical changes confirm heterostructure formation. The conductive carbon layer (C) plays a crucial role in improving charge separation, conductivity, and light absorption, while also demonstrating exceptional photocatalytic activity toward CO₂ reduction when exposed to visible light. To investigate the electronic structure and band alignment, density functional theory (DFT) calculation provides valuable insight into the charge transfer dynamics within the heterostructure. DFT analysis confirms the Z‐scheme mechanism and verifies that the conductive carbon layer plays a vital role in enhancing photocatalytic CO₂ reduction. The optimized composite heterostructure of (5 wt.%C@Fe₂O₃/C₃N₄) exhibits remarkable photocatalytic CO₂ reduction (i.e., to valuable fuels such as CO and CH₄, respectively). All these parameters highlight the potential use of heterostructure for environmental remediation and sustainable energy applications.