Rational Design of Low-Temperature Hydrogenation Catalysts: Theoretical Predictions and Experimental Verification

In this review, we will provide a brief review of our recent theoretical and experimental studies of bimetallic surfaces and catalysts for the low-temperature hydrogenation of unsaturated C=C and C=O bonds. We will first use the hydrogenation of cyclohexene as a probe reaction to demonstrate the importance of using several parallel approaches. including fundamental surface science and density functional theory (DFT) studies on single crystal surfaces, synthesis. and characterization of polycrystalline surfaces and supported catalysts, and reactor evaluation of supported catalysts. We will then provide a summary of applications of bimetallic catalysts for other hydrogenation reactions, including the selective hydrogenation of the C=O bond in acrolein. the low-temperature hydrogenation of benzene. and the selective hydrogenation of acetylene in the presence of ethylene Finally, we will discuss the possibility of replacing the platinum (Pt) component with metal carbides to reduce the loading of Pt in bimetallic catalysts