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

• Main Authors: Sheng, Yao, Polynski, Mikhail V., Eswaran, Mathan K., Zhang, Bikun, Lim, Alvin M. H., Zhang, Lili, Jiang, Jianwen, Liu, Wen, Kozlov, Sergey M.
• Other Authors: School of Chemistry, Chemical Engineering and Biotechnology
• Format: Article
• Language: English
• Published: 2024
• Subjects: Engineering::Chemical engineering; Catalysis; Alcohols
• Online Access: https://hdl.handle.net/10356/173246
• Institution: Nanyang Technological University

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, CHx, CHxO, 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.