Cu/ZnO系列催化剂是工业上CO2加氢合成甲醇的重要催化剂。尽管对Cu/ZnO催化剂已有不少研究，但对其表面活性位点的认识还存在争议，有认为活性位点是表面形成的CuZn合金，也有认为是Cu-ZnO界面的协同效应。为了理解表面活性中心的本质，本项目拟在Cu(111)表面负载石墨层状ZnO薄膜作为模型催化剂，利用同步辐射近常压光电子能谱从能量角度对ZnO/Cu(111)在气氛条件下的表面活性相和中间物种的化学态进行分析，利用近常压扫描探针显微镜从空间原子分辨角度对其表面结构进行原位动态表征，设计高压反应池对其表面反应活性进行分析，并和Zn/Cu(111)合金表面的活性和化学态进行比较，理解Cu/ZnO催化剂中ZnO的化学态和作用，认识CO2加氢反应中活性位点的性质，建立清晰的构效关系，为设计和发展高效催化剂提供指导。

Cu/ZnO based catalysts are the most import catalysts used in the industry for CO2 hydrogenation to methanol are . Although a number of studies concerning the role of ZnO and the reaction mechanism have been performed, the nature of the active sites is still considerable controversy. One possibility is that a highly active CuZn alloy. The other possibility is that there is intimate synergy between Cu and ZnO at the interface. In order to understand the role of ZnO and the nature the active sites, we intend to deposit the graphite-like ZnO film on Cu(111) surfaces as the model catalysts. The chemical states and surface structure of the intermediate species and the active phase will be analyzed under reaction conditions by using the Ambient Pressure X-ray Photoelectron Spectroscopy (APXPS) and the Near Ambient Pressure Scanning Probe Microscope (NAP-SPM), respectively. And the CO2 hydrogenation reactivity could be studied with the high pressure cell. Combining the chemical states of the active phase and the intermediates, the atomic structure of the surface species and the reactivity of the CO2 hydrogenation on ZnO/Cu(111) and Zn/Cu(111) surfaces, we could have a clear understanding of the nature of active sites and establish the structure-function relationship accurately, which could contribute to design the high performance catalysts for methanol synthesis from CO2.