金属有机配合物作为锂氧气电池液相催化剂的研究

如何解决催化剂的失效问题一直是锂氧气电池催化剂研究的难点。液相催化剂可通过有机溶剂在其和Li2O2之间建立非受限且动态的界面，从而促进催化反应不断进行，提高电池性能。目前相关研究较少且存在适宜其溶解的电解液选择性单一、稳定性差和催化机理不明等问题。基于结构和性能可控的金属有机配合物作为液相催化剂的锂氧气电池体系还没有被报道。本课题拟通过设计合成系列化和功能化的金属有机配合物，建立中心金属、有机配体设计与催化剂性能的联系。同时，通过采用电化学原位同步辐射技术对电池循环过程中Li2O2的生成和分解进行定量地实时记录，对催化动力学过程进行拟合和分析，揭示影响动力学参数的关键因素。此外，我们将结合多种物化性质的表征手段、中心金属选择、配体设计与催化剂性能的关系以及催化动力学分析对催化机理提出合理的推断。本项目工作将为锂氧气电池电极材料的设计、基础原理的探究以及同步辐射技术在新能源领域的拓宽做出贡献

One challenge for the catalyst study of Li-O2 batteries is to solve the catalyst deactivation. An unlimited and dynamic interface between soluble catalyst and Li2O2 can be established by the organic solvent, which is favorable for the promotion of catalytic reaction and improvement of battery performance. There are few researches on the development of soluble catalyst in Li-O2 batteries. Substantial challenges mainly exist on the insufficiency of selection for the electrolyte, poor stability during cell cycling, and unclear catalytic mechanism. The Li-O2 battery using metal complex with controlled structure and performance as soluble catalyst has not been reported thus far. In this work, a series of functional metal complex are designed and synthesized. The relationship between the selection of metal, the design of organic ligands and the catalytic performance of as-prepared samples will be systematically studied. In addition, the electrochemical operando synchrotron radiation-based technique will be employed for tracking the formation and decomposition of Li2O2 during cell cycling. The key factor for the catalyst kinetics of metal complex will be present by fitting and analysis of dynamic process. Furthermore, the catalytic mechanism will be proposed through the combination of physicochemical characterizations, the establishment for relationship between metal selection, ligand design and the catalyst stability and performance, and the study of catalytic kinetics. This work is expected to contribute to the electrode materials development for Li-O2 batteries, the understanding for the fundamental knowledge, and the exploration for application of synchrotron technology on the new energy field.