钙钛矿结构氧化物表现出优异的环境与能源催化性能，其表面原子形成的边、角、台阶及扭结等未满配位被称作“活性位点”，在加速化学反应过程中至关重要。由于缺乏理想的实验模型，表面原子级微结构与催化性能的依赖关系研究尚未见报道。借助反射式高能电子衍射仪(RHEED)在二维层状生长过程中的原位实时监控作用，本项目创新性地提出利用震荡条纹周期内的不同阶段准确截取单层晶胞生长的不同中间态，从而实现原子级表面台阶或扭结的生长调控。拟选取LaCoO3作为研究对象进行OER探针反应，结合精细的原子和电子结构表征手段，建立表面台阶、扭结等微结构尺寸及密度分布对产氧性能如过电势等的直接关联，准确地提取表面原子级微结构对Co3+的电子态调变作用，明晰材料表面原子台阶的催化作用机制，并充分地从实验和理论上进行验证。本项目将系统地建立表面微结构制备-电子态结构-催化性能之间的关联，为类似催化剂的性能优化提供全新的视角。

Perovskite structure oxides show excellent catalytic performance in environmental and energy-related applications. The defective coordinated surface structures, such as edges, steps and kinks, which are regarded as “active site”, play important roles in accelerating chemical reactions. However, the relationship between the atomic-scale microstructure at surface and its catalytic behavior has not been reported yet due to the unfeasible ideal experimental model. In this project, we proposed a RHEED monitoring method for precisely acquire the inter level of unit cell growth process by utilization of periodical vibrational spectrum. Thus, the surface steps or kinks will be tailored at the surface. LaCoO3 was chosen as a model material with OER probe reaction. Precise atomic and electronic structure characterization will be used to detect the surface structure. The direct relationship between the surface microstructure size- and density-distribution of steps, kinks and OER performance factors, such as overpotential, will be measured. The tailoring effect on the electronic state of Co3+ based on the surface atomic microstructure will be detected. Catalytic mechanism of surface atomic steps will be studied and verified theoretically and experimentally. This project will build a relationship between the surface microstructure fabrication-electronic state and catalytic properties of thin solid films, which provides a novel perspective for relative catalysts design and optimization of their properties.