Precise Structure Analyses of Perovskite-type Mixed Conductors

在本研究中，我们的目标是1)建立燃料电池工作条件下的中子衍射仪和核密度水平的晶体结构评价方法；2)阐明钙钛矿型混合导体的核（或电子）密度水平的晶体结构与导电性能之间的关系。在2005财政年度，合成了（La,Sr） mno_3基钙钛矿型化合物，并进行了以下测量：x射线吸收精细结构（XAFS）测量（在国家先进工业科学技术研究所（AIST））， x射线衍射测量（在AIST），高温中子衍射测量（在日本原子能机构（JAEA）东海研发中心）。此外，还设计制作了用于高温中子衍射测量的样品加热装置，并进行了试运行。在2006财政年度，（La,Sr） coo_3基钙钛矿型化合物w…更多被合成，并进行了以下测量：原位同步加速器XAFS测量（在春-8），原位x射线衍射测量（在AIST），和原位中子衍射测量使用该项目开发的加热设备（在东海研发中心，JAEA）。根据测量数据的分析结果，我们发现钙钛矿型混合导体在核（或电子）密度水平上的晶体结构与导电性能（氧化离子和空穴电导率）之间存在密切的关系。在未来，我们计划使用本项目开发的新型样品加热装置对不同种类的燃料电池相关材料进行原位中子衍射测量。对于获得的衍射数据，我们将在核密度水平上进行结构分析，并系统地阐明其与电导率的关系。我们还计划在AIST研究信息数据库（io - db）的网站“电化学器件固态导体数据库（SSCED）”（URL: //riodbdev.ibase.aist.go.jp/ssced/en/index.html）上公开研究成果。少

In this study, we aimed at 1) developing a neutron diffractometry under fuel cell operating conditions and a crystal structure evaluation method at a nuclear density level, and 2) elucidating the relationship between the crystal structure at a nuclear (or an electron) density level and the electrical conduction properties of perovskite-type mixed conductors. In fiscal 2005, (La,Sr)MnO_3-based perovskite-type compounds were synthesized and the following measurements were carried out: an X-ray absorption fine structure (XAFS) measurement (at National Institute of Advanced Industrial Science and Technology (AIST)), an X-ray diffraction measurement (at AIST), a high-temperature neutron diffraction measurement (at Tokai R&D center, Japan Atomic Energy Agency (JAEA)). In addition, a sample heating apparatus for high temperature neutron diffraction measurements has been designed and fabricated, and then a test run was carried out. In fiscal 2006, (La,Sr)CoO_3-based perovskite-type compounds w … More ere synthesized and the following measurements were carried out: in-situ synchrotron XAFS measurement (at Spring-8), in-situ X-ray diffraction measurement (at AIST), and in-situ neutron diffraction measurement using the heating apparatus developed in this project (at Tokai R&D center, JAEA). On the basis of analysis results of the measured data, we found close relationships between the crystal structures at nuclear (or electron) density level and the electrical conduction properties (oxide-ion and hole conductivities) of perovskite-type mixed conductors.In the future, we are planning to conduct in-situ neutron diffraction measurements using the new sample heating apparatus developed in this project for different kinds of fuel cell related materials. For the diffraction data obtained, we will make structure analyses at a nuclear density level, and elucidate its relationships with electrical conductivity systematically. We are also planning to open the research results on the WEB site "Solid-State Conductors Database for Electrochemical Devices (SSCED)" (URL http: //riodbdev.ibase.aist.go.jp/ssced/en/index.html) of the research information database (RIO-DB), AIST. Less