低温加氢催化剂的设计: 理论与实践

简要总结了我们在C=C及C=O双键低温加氢双金属催化剂方面的最新研究成果. 首先, 我们以环己烯加氢为探针反应, 证明了平行使用多种研究手段的重要性, 包括单晶表面的基础研究与DFT计算, 多晶表面的合成与表征, 负载型催化剂的制备与性能测试等. 其次, 总结了双金属催化剂在其他加氢反应, 如丙烯醛C=O双键的选择性加氢, 苯的低温加氢, 以及乙炔的选择性加氢等反应中的应用. 最后, 讨论了利用金属碳化物代替贵金属Pt以减少双金属催化剂中Pt用量的可能性.

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.