EAGER: Developing a New Generation of CO2 Reduction Catalysts - A Computer-Aided Experimental Design Approach

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Professor Mu-Hyun Baik of Indiana University is supported by the Chemical Catalysis Program in the Division of Chemistry to develop a rational design for the synthesis of new organometallic catalysts for CO2 reduction. A series of integrated computational and experimental studies are proposed that aim at delineating the mechanism of CO2 activation with Tanaka's [Ru(tpy)(bpy)(CO)]2+ catalytic system. The results will lay the foundation for the systematic development of new catalytic systems with cheap Fe/Co centers as a viable substitute for expensive ruthenium-based catalysts for CO2 reduction to commercially-important starting materials. A Graduate students and a postdoc will be trained in integrated theoretical and experimental approaches towards the design of practical catalytic systems.