Influence of catalyst structure and band engineering on CO₂ photoreduction efficiency

Photocatalytic conversion of carbon dioxide (CO 2 ) into value added fuels and chemicals is commonly considered as one of the promising solutions to reducing greenhouse gas emissions and at the same time to make carbon recycling a viable solution in the energy infrastructure of the future. Nevertheless, the effective application of CO 2 photoreduction is still limited by low quantum efficiencies, poor product selectivity and stability problems. These problems are inherently connected with the design of the underlying catalyst. Specifically, catalyst structure and band alignment interplay play a critical role in controlling light harvesting, charge generation and separation, CO 2 activation and surface reaction pathways. In recent developments, the combination of structural design and specific band modulation engineering is shown to be used rationally to provide unprecedented chances to overcome the existing efficiency bottlenecks and provide selectivity in products. The synergetic roles of the two factors on catalytic performance are still crucial to the process of fast-tracking the formation of the next generation photocatalysts. This review specifically focuses and comprehensively discusses catalyst structural design, band engineering strategies, characterization techniques, computational methods, and their combined impact on CO 2 photoreduction performance and selectivity towards scalable energy conversion systems.