助剂对铁基催化剂结构和性能影响的表面科学研究

Coal to liquid technology, which is based on Fischer-Tropsch(FT) synthesis, is one of the most important technology to optimize Chinese energy structure and realize the clean use of coal. The technology has been applied industrially. However, the phase change of Fe-based catalysts in FT process and the effects of promotors on the structure and property of Fe-based catalysts are very complicated. In this project, Fe-based catalysts will be studied systematically using a surface science approach. The work includes 1. Insitu study on the phase change of Fe-based catalysts during reaction in syngas （CO and H2）at near ambient pressure. 2. The promotion effect of the promotors on Fe-based catalysts. By comparing the phase change of Fe-based catalysts with and without promotion during reaction conditions, we could understand the effect of promoter on the activity, selectivity and stability of Fe-based catalysts in real reaction condition. We believe that this project will let us have better understanding on Fe-based catalysts, thus developing new catalysts with high activity, selectivity and stability.

以F-T合成反应为核心的的煤制油技术是优化中国能源结构，实现煤炭清洁利用的关键技术。该技术目前已经实现工业化。然而，铁基催化剂在反应过程中的物相转变，以及助剂对铁基催化剂的影响十分复杂。本项目将采用表面科学的研究方法对铁基模型催化体系进行系统的研究。1. 在近常压合成气氛（一氧化碳和氢气）中原位地研究铁基催化剂的物相变化过程。 2. 研究助剂对铁基催化剂结构以及性质的影响。并对比有和没有助剂的情况下，铁基催化剂在近常压合成气氛中随温度以及时间发生的变化情况，理解实际反应过程中助剂对铁基催化剂的活性、选择性、以及稳定性的影响。该项目的实施，将加深对铁基催化剂的理解，进而为开发新型催化剂提供依据，推动高活性、高选择性、高稳定性的铁基催化剂的研发。

F-T合成反应中，铁基催化剂的物相转变以及助剂对铁基催化剂的影响十分复杂。本项目采用表面科学的研究方法对铁基模型催化体系进行研究。主要内容有：1.研究了铁插入石墨烯/钌(0001)界面的机理，得到了碳缺陷、铁团簇中铁原子数量以及钌基底对过程的影响；2.研究了Cu（100）表面原子氧对于甲酸吸附以及甲酸根分解的影响；3.使用FeO／CuOx／Cu（100）作为模型体系，研究得出氧化铁岛的存在会促进Cu表面氧的移除；4.完成了以Cu（100）为基底的碳化铁的制备和表征。本项目的研究结果为铁基催化剂的研发提供了有价值的信息 。