锂硫电池是一种具有较大发展潜力的新体系二次电池。催化材料在正极中的应用可显著提高固硫效果和硫利用率，改善电池的循环稳定性。本项目拟将高催化活性的过渡金属酞菁配合物负载于导电碳基体，获得过渡金属酞菁@碳催化材料。借助理论计算和电化学测试，阐明酞菁配合物中心金属原子和外围取代基两个成分变量与配合物的催化活性和含硫活性物质的吸附、扩散等关键性质之间的关系，明确配合物的成分对电化学性能的影响规律，获得配合物的成分设计策略。研究配合物在碳基体上的负载方法对产物结构和配合物实际发挥的电化学性能的影响，获得配合物负载结构的调控策略。以多硫化锂的液相转化和硫化锂的液-固沉积过程为主要切入点，探索过渡金属酞菁@碳催化材料的作用机制。本项目发展的催化材料预计可显著提高锂硫电池正极高面载硫量条件下的比容量、倍率性能和循环稳定性，并为其他相关材料的研究提供借鉴。

Lithium-sulfur batteries are promising new-class second batteries. The implementation of catalytic materials within the cathode enables improved sulfur immobilization and utilization as well as stable cell charge-discharge cycling. In this project, a class of Li-S catalytic materials composed of transitional metal phthalocyanines loaded on conductive carbon substrates (MPc@C) will be investigated. Theoretical calculations and electrochemical measurements will be employed to reveal the impact of central metal atoms and peripheral functional groups on the catalytic activity and other important properties of metal phthalocyanines, including the adsorption and diffusion of active sulfur species. The relationship between the composition of phthalocyanines and their electrochemical performance will be revealed and the strategy for the design of phthalocyanines will be obtained. Different loading methods of metal phthalocyanines on the conductive carbon substrates will also be investigated so as to reveal the influence of loading structure on the final electrochemical performance. The working mechanism of the developed catalytic material during the liquid phase conversion of polysulfides and the liquid-solid deposition of lithium sulfides will be investigated. The catalytic materials developed here are expected to substantially improve the specific capacity, rating capability and cycling stability of Li-S batteries at high areal sulfur loadings. The project will also provide new insights for the research of other related materials.