基于原位生长纳米金属颗粒的层状钙钛矿对称固体氧化物燃料电池电极性能研究

Symmetrical Solid Oxide Fuel Cell (SSOFC) is an efficient reversible energy conversion technology, where the same electrode material could be used simultaneously as both anode and cathode. There are several advantages using this configuration, such as simple preparation and solving the problems of possible sulphur poisoning and coke formation on the anode which can be potentially addressed by simply reversing the gas flows. However, the properties of SSOFC need to be improved. The electrochemical mechanism for a material to be simultaneously used as both anode and cathode is not clear. Electron-ion mixed conductor, Fe-based layered perovskite oxides could be used as electrodes for SSFOC due to their good electrical conductivity and stability in the varied atmospheres. To control and design BO6 structure with various oxidation states for B site elements, this project will focus on B site co-doped oxides in layered perovskite electrodes. In addition, combined experiments and computation by the first-principle theory, we will study the electrode’s properties of stability, oxygen stoichiometry, transport etc. with the function of different BO6 structures. The formation and the role of in-situ growth of nanoparticles will be investigated to understand the mechanisms oxygen reduction reaction and fuel gas catalytical reaction in different BO6 structural oxides. The results are of importance not only for designing and developing novel electrodes which will be used for SSOFC, but also for understanding the mechanism of catalysis in layered porovskites.

对称固体氧化物燃料电池(SSOFC)具有简单的制备工艺，通过改变气流方向可以有效解决电极表面硫中毒和碳沉积，是一种高效的可逆能源转换新技术。但目前SSOFC的发展较为缓慢，主要归因于对称电极性能有待提高，且对同一种材料应用于不同气氛中的电导和电化学机理认识不够透彻。电子-离子混合导电型Fe基A2BO4型氧化物在氧化和还原气氛中具有良好的化学稳定性和较高的电导率。本项目计划以BO6结构的调控和设计为切入点，构建具有混合价态的B位过渡金属共掺杂Fe基A2BO4型氧化物体系，结合实验与第一性原理计算，研究电极材料在氧化和还原气氛中的稳定性、氧化学计量和输运等性质随BO6结构的变化规律，分析不同BO6结构氧化物在还原气氛中原位生成纳米金属颗粒的条件和作用，进一步揭示不同纳米金属颗粒的形成对电极电化学反应的影响规律和机理。项目的研究成果将为SSOFC电极材料的设计和研发提供新的思路和理论指导。

对称固体氧化物燃料电池(SSOFC)具有简单的制备工艺，通过改变气流方向可以有效解决电极表面硫中毒和碳沉积，是一种高效的可逆能源转换新技术。但目前SSOFC的发展较为缓慢，主要归因于对称电极性能有待提高，且对同一种材料应用于不同气氛中的电导和电化学机理认识不够透彻。电子-离子混合导电型Fe基A2BO4型氧化物在氧化和还原气氛中具有良好的化学稳定性和较高的电导率。本项目以BO6结构的调控和设计为切入点，合成了具有混合价态的B位过渡金属共掺杂Fe基A2BO4型氧化物体系，结合实验与第一性原理计算，系统研究了电极材料在氧化和还原气氛中的稳定性、电极材料的氧化学计量和输运等性质随BO6结构的变化规律，并分析了不同BO6结构氧化物在还原气氛中原位生成纳米金属颗粒的条件和作用；通过构建对称结构电池及其性能测试分析，揭示了不同纳米金属颗粒的形成对电极电化学反应的影响规律和机理。项目的研究为理解层状钙钛矿结构氧化物纳米颗粒出溶机理的研究以及为SSOFC电极材料的设计和研发提供新的思路和理论指导。