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

项目名称： 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

项目编号： No.11305250

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 李炯

作者单位： 中国科学院上海应用物理研究所

项目金额： 29万元

中文摘要： 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。

中文关键词： 同步辐射；高温原位；高能量分辨；固体氧化物；电子结构

英文摘要： 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.

英文关键词： synchrotron radiation；in-situ high temperature；high energy resolution；solid oxide；electronic structure