固体电解质Beta-Al2O3的结构与导电性能的关系研究

项目名称： 固体电解质Beta-Al2O3的结构与导电性能的关系研究

项目编号： No.21203095

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 物理化学

项目作者： 朱承飞

作者单位： 南京工业大学

项目金额： 25万元

中文摘要： Beta-Al2O3固体电解质材料是钠硫电池的关键材料之一，材料的结构及键合特性是决定该材料导电性能的关键因素，但是该体系元素种类多、网络结构复杂，而表征手段缺乏，很多科学问题亟待解决。本项目采用固、液相法制备具有不同组成和结构的Beta-Al2O3固体电解质材料，并组装电池进行充放电；引入固体核磁共振技术，探讨测试条件，并结合X射线衍射技术、交流阻抗技术等方法，分析不同制备条件、载荷状态下材料的结构、化学组成、原子配位、成键特性和导电性能；建立网络结构的原子模型，进行基于量子力学的第一性原理和分子动力学原理的计算，从能量和电子结构层面研究该网络结构的稳定性以及该结构高温转化过程；在实验分析和理论计算的基础上，建立该材料导电性能与材料结构特性的关系。本项目旨在建立原子尺度分析Beta-Al2O3固体电解质材料结构的测试技术和计算方法，揭示该材料导电性能的本质，指导该材料的性能优化。

中文关键词： Beta-Al2O3固体电解质；导电机理；结构；27Al MAS NMR；第一性原理

英文摘要： As energy crisis is increasingly intensified over the world, the rational use and storage issue of the renewable energy is becoming a commonly-concerned focus. Sodium sulfur battery is an emerging energy storage technology that uses sodium and sulfur for electrode materials and beta-Al2O3 ceramics for the electrolyte. It has the advantage of mass energy storage, which makes it the best storage equipment for the renewable energy, such as wind energy and solar energy. Therefore, the storage quality of sodium sulfur battery has important significance to the application prospect of the renewable energy. Beta-Al2O3 solid electrolyte is the key material of the sodium sulfur battery, which strongly affects the prosperity and service life of the battery. The structure and bonding performance of materials is the key factor to determine conductivity, for the element system has many species and complex network structures, and lacks of characterization methods. Many scientific problems need to be solved. This project used the solid, liquid methods to prepare Beta-Al2O3 solid electrolyte materials of different composition and structure and assemble battery to test charge and discharge performance. In this study, solid-state NMR techniques were used, XRD, EIS, and other testing techniques were combined with， to test and analy

英文关键词： Beta-Al2O3 solid electrolyte；Conductivity properties；Structure；27Al MAS NMR；Primary principle