CAREER: SusChEM: Structure-property relationships in bi-functional battery materials

职业：SusChEM：双功能电池材料的结构-性能关系

• 批准号: 1554315
• 负责人: Wei Lai
• 金额: $ 51.32万
• 依托单位: Michigan State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-06-01 至 2023-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1554315&HistoricalAwards=false
• 关键词: CAREER; SusChEM; Structure; property; relationships

NON-TECHNICAL DESCRIPTION: While lithium-ion batteries have been the dominant power sources for portable electronics, their large-scale applications in the transportation and stationary markets are likely to be hindered by the limited lithium abundance. On the other hand, the element sodium is more than 1000 times more abundant than lithium and sodium resources are considered adequate nationally and internationally. Development of sodium-based battery chemistry is essential in ensuring a sustainable energy future for human kind. This CAREER project studies the structure-property relationships of a unique family of bi-functional (as either cathode or anode) sodium electrode materials, in order to shed light on the fundamental mechanisms that could lead to enhanced materials performance and rational design and discovery of new materials. This project also enables a museum exhibition named "Batteries: Powering the Past, Present, and Future" to raise awareness and inspire interests of the public in the science and engineering principles of ubiquitous battery devices in our daily lives.TECHNICAL DETAILS: Sodium nickel titanates are a unique family of materials that can function either as anode or cathode due to coexistence of both high and low redox-potential transition metals. However, the structure-property relationship of these materials remains elusive. This project seeks to develop a fundamental understanding of the atomic and electronic structures and their effects on the ionic and electronic conductivity of model materials in the sodium nickel titanate family. Through an integrated experimental and computational approach combining neutron/X-ray scattering probes, atomistic simulation, and electrical property measurement, the project studies the local distribution, migration pathways, and ionic conductivity of sodium atoms, as well as the local electron distribution and its effect on the electronic conductivity. Knowledge garnered from this work has an immediate impact on this family of technologically important and scientifically intriguing materials, and also helps to shed light on the structure-property relationships in general mixed ionic-electronic conductors, thus leading to rational design and discovery of new materials with superior performance.

非技术描述：虽然锂离子电池一直是便携式电子产品的主要电源，但其在运输和固定市场的大规模应用可能会受到锂丰度有限的阻碍。另一方面，钠元素比锂元素丰富1000倍以上，钠资源在国内和国际上都被认为是充足的。钠基电池化学的发展对于确保人类的可持续能源未来至关重要。这个CAREER项目研究了一个独特的双功能（阴极或阳极）钠电极材料家族的结构-性能关系，以揭示可能导致增强材料性能和合理设计的基本机制，并发现新材料。该项目还促成了一个名为“电池：为过去、现在和未来供电”的博物馆展览，以提高公众对我们日常生活中无处不在的电池设备的科学和工程原理的认识和兴趣。技术详细信息：钛镍钠是一种独特的材料家族，由于高氧化还原电位和低氧化还原电位过渡金属的共存，可以用作阳极或阴极。然而，这些材料的结构-性能关系仍然难以捉摸。该项目旨在发展对原子和电子结构及其对钛酸镍钠系列模型材料的离子和电子电导率的影响的基本理解。通过结合中子/X射线散射探针、原子模拟和电学性质测量的综合实验和计算方法，该项目研究了钠原子的局部分布、迁移途径和离子电导率，以及局部电子分布及其对电子电导率的影响。从这项工作中获得的知识对这一系列技术上重要和科学上有趣的材料产生了直接影响，也有助于阐明一般混合离子-电子导体的结构-性质关系，从而导致合理设计和发现具有上级性能的新材料。