利用高温原位XAFS方法研究固体氧化物燃料电池阴极材料结构

Solid Oxide Fuel Cells(SOFC) is a new type of energy which could directly convert chemical energy to electric energy. Due to the advantage of high efficiency and low pollution, SOFC is considered to be an important direction for future energy development. However, the activity mechanism of SOFC materials is still not clear, and there is still lack of structural research under working condition, and thus developing in-situ research method for high temperature is of great importance. In this project, we plan to systematically study a series of SOFC electrode materials. The synchrotron radiation XAFS combined with first principles and multiple scattering calculations were used to clarify the distribution of the doped ions as well as the position of energy levels. Furthermore, we will carry out in-situ experiments at variable temperature, in order to study the dependence of the electronic structures and activity on the temperatures. These researches will explain the relationship between the structures and performance of SOFC materials from the micro-structure perspective, and provide theoretical evidence for the design of intermediate SOFC materials. It is sure that this project will provide important reference value to the high temperature in-situ rasearch of other materials.

固体氧化物燃料电池(SOFC)是一种直接将化学能转化为电能的新型高效能源，其阴极材料结构对于电池的性能具有十分关键的作用，然而目前其活性机理仍不清晰，特别是缺少有效的手段来研究工作条件下的SOFC阴极材料结构，因此亟需发展一种高温原位的结构研究方法。本项目拟搭建高温原位的XAFS测量装置，并结合多种理论计算手段发展高温XAFS的研究方法，为高温原位XAFS结构研究的开展提供可靠的平台。在此基础上，针对影响SOFC阴极材料性能的几个关键要素进行研究，重点探讨高温条件下SOFC材料的掺杂离子分布、电子态占据、配位原子间的电荷转移等因素对于SOFC材料性能的调控机制，为开发高性能的SOFC阴极材料提供理论依据。

固体氧化物燃料电池(SOFC)是一种直接将化学能转化为电能的新型高效能源，其阴极材料结构对于电池的性能具有十分关键的作用，然而目前其活性机理仍不清晰，特别是缺少有效的手段来研究工作条件下的SOFC阴极材料结构，因此亟需发展一种高温原位的结构研究方法。本项目搭建了高温原位测量平台，并结合多种同步辐射谱学手段对该类固体氧化物材料的活性机理进行研究，探索影响材料性能的关键因素，从而为设计新的高性能固体氧化物燃料电池材料提供理论指导。主要研究成果有：（1）依托上海光源BL14W1线站，搭建了高性能的高温原位测量平台，采用聚焦加热的方式，其加热效率相比常用的电热丝有显著提高；（2）提出3d过渡金属的中间自旋态是影响氧化物材料活性的一个关键因素；（3）发展了共振X射线发射谱学方法，为后续研究3d过渡金属电子结构提供了一种十分强大的研究手段。