A review of mechanistic insights into CO₂ reduction to higher alcohols for rational catalyst design

The utilization of captured CO₂ for chemical synthesis could play an important role in reducing CO₂ emissions. Higher alcohols stand out among various products of CO₂ reduction due to high market prices and diverse applications, e.g., as fuel additives. However, developing catalysts for this reaction requires a profound understanding of the reaction mechanisms and catalyst design principles, which are discussed in the present review. Depending on the catalytic sites, higher alcohol synthesis could proceed via vastly different pathways. Herein, we outline how various proposed reaction mechanisms lead to different catalyst design strategies for optimizing the rate of CO₂ conversion into reactive C₁ intermediates (CO, CH_x, CH_xO, and HCOO) and their coupling into C₂₊ intermediates that are eventually converted into higher alcohols. Lastly, we discuss knowledge gaps in achieving rational catalyst design for higher alcohol synthesis and the breakthrough potential of machine-learning techniques for catalyst discovery.