金属和氧化物是性质差异比较大的两种材料。金属一般具有简单的原子结构，表面上有丰富的原子台阶，电子一般是非局域的；而氧化物一般具有较复杂的原子结构，表面上再构是主要的，电子一般却是局域的，且一般有较强的电子关联。将这两种材料在纳米尺度结合在一起，形成的新材料具有特别的表面、界面性质，应用前景广阔。本项目以工业上利用二氧化碳和氢气合成甲醇的金属、氧化物复合催化剂为研究对象，研究它们独特的表面、界面等原子结构和电子结构性质，以及相应的物理化学性质，目标是设计出更加高效、经济、安全的金属、氧化物复合催化材料，以期为相应的化学工业带来革命性变化，为最终消化、利用大气中威胁人类生存的温室气体指明技术创新和突破的研究方向。

Metals and oxides are quite different in atomic and electronic structures. Metals usually assume simple atomic structures. The surface is rich of atomic steps. The electrons are delocalized. On the other hand, oxides assume more complicated structures. The surface is usually reconstructed. The electrons are localized and highly correlated. New materials formed by combining the two distinct materials in nano scale will have unique surface and interface properties and can be applied in many applications. In this project, we will study the surface and interface atomic and electronic properties of the metal／oxide catalysts for methanol synthesis from CO2 and H2. Our aim is to design more effective, more economical, and safer catalysts. The conclusion of the project will be helpful to the upcoming revolution in chemical industry, and in reducing or even taking advantage of the green house gas released to the atmosphere that endangers the globe.