催化技术是解决当今社会资源环境危机的关键技术。单原子催化剂（SACs）作为催化领域的新星，兼备了稳定、易分离和高效、高选择性的特性，是催化技术发展重点方向。然而，由于单原子尺度突破传统表征极限，致使单原子催化剂结构以及表面催化机理的研究缺乏有效工具。因此，本项目拟开发一种基于探针核磁的新型单原子表征方法，并应用于呋喃基生物质分子催化过程的研究。项目将首先研制一批二维结构特征的单原子催化剂，选取以31P、13C为标记的探针分子，通过分析标记原子核磁共振化学位移的偏移规律，考察探针分子在单原子催化剂表面的吸附状态，总结归纳不同原子种类、粒径及载体作用下探针分子与金属位点作用规律，建立探针核磁表征单原子催化剂方法及判定标准。同时，使用单原子催化剂和探针核磁表征方法，探索糠醛和糠醇分子在单原子催化位点的活化机理，以及不同金属、载体和尺寸对反应选择性的影响规律，实现该方法在生物质转化中的应用。

Catalytic technology is considered as the solution of the current nature resources and environmental crisis. Single atom catalysts (SACs) have those characterizations of stability, separability, efficiency and high selectivity, which make them become the key direction of catalytic technology. However, since the scales of single atoms are below the detection limit of traditional characterization methods, a new and effective characterization method for the investigations about SACs morphology and the catalytic mechanism is desired. Herein, this project will develop a new SACs characterization method with probe-NMR, and apply it to the study of reaction mechanisms of furyl biomass molecule. Firstly, a series of two-dimensional SACs will be synthesized. Then, the adsorbed probes state on the SACs will be deeply investigated through analyzing the chemical shifts of 13C and 31P probe molecules. The interaction rules between probes and different single metal atom sites, metal sizes, supports will summarized systematically, and then a standard for judging the formation of single atom sites will be built. Besides, the prepared SACs and Probe-NMR method will be applied to investigate the furfural and furfuryl alcohol activation mechanism over single atom sites, and the effect of different metals, supports and metal sizes over catalysts for the selectively catalytic reaction processes. This project will provide a new simple and efficient probe-NMR characterization method for the study of biomass conversion over SACs.