铜基单原子合金用于糠醛类化合物高效电催化加氢反应研究

糠醛类平台化合物的电催化加氢是其增值转化的新型绿色途径，克服了传统热化学加氢过程高能耗的缺点。然而，传统体相金属催化剂存在的催化活性弱、产物选择性差、法拉第效率低等问题限制了该技术的发展。为此，本项目拟通过碳纳米管阵列负载铜基单原子合金催化剂的可控制备，从高活性单原子位点的设计、低析氢活性铜基载体的应用以及高导电性自支撑电极的构建等方面来提升糠醛类化合物电催化加氢的活性、选择性及法拉第效率。结合反应历程监测、原位光谱学表征以及第一性原理计算等手段确定催化活性位点、分析电催化加氢机理，进而揭示其构效关系。本项目的开展对于开发高效单原子合金电化学加氢催化剂、深入研究电催化反应机理及推动生物质平台化合物电催化加氢转化具有重要意义。

The electrocatalytic hydrogenation of furfural platform compounds is a new green way for their value-added conversion, which overcomes the disadvantage of high energy consumption in traditional thermochemical hydrogenation processes. However, the poor catalytic activity and product selectivity, as well as low faradaic efficiency of traditional bulk metal catalysts limit the development of this technique. Therefore, in this project, we intend to construct the single-atom alloy catalyst supported on carbon nanotube arrays with multi-scale structural design of highly active single-atom sites, Cu-based carrier with low hydrogen evolution activity, and highly conductive self-supporting electrode to improve the activity, selectivity and faradaic efficiency for the electrocatalytic hydrogenation of furfural compounds. In addition, we will use the techniques of reaction process monitoring, in-situ spectroscopy characterization and first-principle calculations to identify the catalytic active sites, analyze the electrocatalytic hydrogenation mechanism, and demonstrate the structure-activity relationship. This project is of significance for exploring high-efficiency single-atom alloy electrocatalysts, understanding the electrocatalytic mechanism, and promoting the development of electrocatalytic hydrogenation conversion for biomass platform compounds.