Photocatalysts for CO2 reduction and computational insights

Global warming is caused by excessive CO2 production, and reducing emissions a viable way to counteract this. It has been extensively studied how light-driven processes, particularly photocatalytic systems, can transform solar energy into chemical energy. In the present review exercise, mechanism of reduction described using calculations based on density functional theory (DFT), comparisons are also made with regard typical devices. Additionally, traits potential materials—including metal–organic frameworks (MOFs), metal complexes, oxide, Z-scheme (metal complexes/semiconductors, two semiconductors, dye-sensitized semiconductors), improved S-scheme organic photocatalyst etc.—are in depth show these affect adsorption, activation, desorption processes. Also summarized number methods for enhancing selectivity efficiency catalytic reactions. Lastly, challenges future outlook reactions presented.