双金属催化剂由于两种金属元素协同效应的存在以及组分、结构、属性上极大的可变性，明显提升金属的某些特定性能，使其在催化领域尤其是催化产氢及加氢方面有广泛的应用。为节省资源，本项目旨在利用可见光催化手段、一步可控还原制备系列非贵双金属（FeNi）合金催化剂，并进行原位分解水产氢，及利用产生的氢进行原位光催化还原NO3-生成NH3等加氢反应研究，有效节约能源并降低NH3合成中CO2的排放。该可见光体系在国内外还未见报道；我们将系统研究光诱导双金属合成机理，重点阐明双金属合金的组成-结构-性能的对应构性关系，深入认识双金属合金催化剂与表面产生的氢形成的中间体对催化还原的影响，利用理论计算等研究确定双金属表面的活性位点，揭示发生在界面的分子物理化学过程的微观作用机制及调控规律，探索光催化产氢及加氢过程反应的机理。并在已知构效关系的基础上，对双金属催化剂进行整体设计与合成，优化制备出性能更好的催化剂。

Bimetallic catalysts, due to the synergistic effects between the two individual metal components as well as the great variability incatalysts' components, structure and properties, shows obviously enhanced metallic properties in specific aspects, and have found wide-spread applications in catalysis, especially in catalytic hydrogen production and hydrogenation reactions. In view of saving resources, this project would utilize the visible light induced photoreduction methods to prepare non-precious, earth-abundant (FeNi) nanoparticle catalysts in an in-situ, one-step and controlled manner. Simultaneous photocatalytic hydrogen evolution was expected to happen during the catalyst preparation process and investigations will be carried out on the photoreduction of NO3- to NH3 with in situ generated bimetallic catalysts and hydrogen gas, which will effectively save energy and reduce the discharge of CO2 during NH3 synthesis process. As far as we know, this multifunctional visible light induced photocatalytic system is not yet reported both at home and abroad. Our project would systematically investigate the light triggered bimetallic-catalyst-formation mechanisms, with an emphasis on clearing out the corresponding component-structural-property relationship, and have in-depth insights into the effect of intermediate formated by surface H interactions with the bimetallic catalysts on the catalytic reduction process. In addition, theoretical calculations will also be harnessed to confirm the active reaction site located on the surface of bimetallic catalysts, which will not only help to reveal the microscopic interaction mechanisms and tunable rules happening on the surface molecular level physical-chemical processes, but also contribute to interpretation of catalytic hydrogen evolution and hydrogenation mechanisms. Based on the above investigations of the structural-property relationship, we would further launch studies on whole-scale design and preparation of bimetallic catalysts, with the eventual goal of developing the optimized catalysts with enhanced catalytic activities.