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CO₂ to formate/formic acid and methanol has emerged as a promising method for utilizing CO₂ in chemical and fuel synthesis, as well as reducing CO₂ emissions when H₂ is produced through renewable energy sources. This reaction requires the activation of two chemically distinct molecules, CO₂ and H₂, along with the selective formation of the desired product. Creating efficient catalysts that surpass the limitations of existing catalysts remains a significant challenge. Historically, the development of catalysts has largely depended on trial and error until successful outcomes are achieved. However, recent advances in material synthesis for well-defined structures, reaction kinetics analysis, in situ characterization techniques, and computational studies have facilitated a systematic understanding of catalytic reactions and enabled mechanism-guided catalyst development. This innovative approach has …