Bridging Molecular Catalysis and Functional Materials for CO₂ Valorization

Prof. Dr. Katharina Schröder, TU Wien

Carbon dioxide (CO₂) valorization is a key challenge in the transition toward sustainable chemical production, offering opportunities to mitigate greenhouse gas emissions while generating value-added chemicals and fuels. However, the high thermodynamic stability of CO₂ and competing side reactions, particularly hydrogen evolution, limit the efficiency and selectivity of current catalytic systems. Photo-, photoelectro-, and electrochemical CO₂ conversion technologies provide promising pathways for transforming renewable energy into chemical feedstocks under mild conditions, but their advancement relies on the development of targeted catalytic materials with improved activity, selectivity, and stability. Here, we investigate functional materials for CO₂ reduction across homogeneous and heterogenized catalytic platforms. Molecular transition-metal complexes are explored for photocatalytic CO₂ conversion, with emphasis on cooperative reaction environments that facilitate CO₂ activation and enhance electron-transfer kinetics. Building on these systems, ionic liquid-derived materials, polymeric frameworks, and supported catalytic interfaces are developed to immobilize molecular catalysts while improving catalyst stability and catalytic accessibility. These multifunctional materials promote CO₂ adsorption, stabilize reactive intermediates, and enhance selective conversion toward carbon monoxide and other reduced carbon products. Their integration into photoelectrochemical and electrochemical architectures further improves charge separation and operational durability. Overall, this work demonstrates how rational materials design can advance efficient and selective CO₂ valorization technologies for sustainable chemical production.