Solid State NMR Studies of Disordered Solids-Ionic Conductors and Battery Materials

无序固体离子导体和电池材料的固态核磁共振研究

• 批准号: 0804737
• 负责人: Clare Grey
• 金额: $ 37.5万
• 依托单位: SUNY at Stony Brook
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-07-01 至 2012-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0804737&HistoricalAwards=false
• 关键词: Solid; State; NMR; Studies; Disordered

This renewal award to SUNY Stony Brook by the Solid State Materials Chemistry program in the Division of Materials Research is aimed at understanding how electrode materials and anionic conductors function under operating conditions. With this project, Professor Grey will be building, testing and utilizing a NMR probe designed to acquire NMR spectra of functioning and intact lithium-ion batteries. Lithiated silicon anode materials, which are in metastable crystalline phase, will be studied using a combination of in and ex-situ 7Li and 29Si Magic Angle Spinning Nuclear Magnetic Resonance (NMR) spectroscopy and pair distribution function analysis of x-ray and neutron scattering. A second application involves the investigation of nanoparticles of layered materials such as LixCoO2, to determine the effect that size and morphology have on the various phase transitions that occur on charging this material, and the stability of the charged materials in the electrolyte. Nanoparticulate cathode materials are expected to have applications in high power batteries in, for example, hybrid electric or electric vehicles. The role of local structures on long-range anionic conductivity of electrode materials such as perovskite (such as LaGaO3) and browmillerite (such as Ba2In2O5) along with materials that can be viewed as intermediates between these end-number structures will also be studied as the second part of this study. Variable temperature NMR spectroscopy (e.g., 71Ga, 89Y NMR) of the B sites will be used to determine the coordination environments of the cations as a function of temperature, while 17¬O NMR spectroscopy will be used to determine the mobility of the oxide ions in different local environments of the electrode materials.The materials investigated by this program will have significant technological relevance for the design of the next generation of materials for use in Lithium ion batteries and fuel cells. The use of silicon as an anode material for a Lithium ion batteries is likely to be of great commercial interest. In addition, the project will provide fundamental insight in the design and development of the next generation of materials for energy sources, improved batteries and fuel cells. Graduate, undergraduate and high students working in this project through their research and classroom experiences will be trained in sophisticated techniques with an appreciation to their use to solve important technical problems.

纽约州立大学石溪分校材料研究部固态材料化学项目的这一续签旨在了解电极材料和阴离子导体在操作条件下如何发挥作用，格雷教授将构建、测试和利用核磁共振仪。探针旨在获取处于亚稳态结晶相的功能完整的锂离子电池的核磁共振谱，将使用原位和异位 7Li 和29Si 魔角自旋核磁共振 (NMR) 光谱以及 X 射线和中子散射的对分布函数分析第二个应用涉及层状材料（例如 LixCoO2）纳米颗粒的研究，以确定尺寸和形态对其的影响。这种材料充电时发生的各种相变以及充电材料在电解质中的稳定性有望在高功率电池中得到应用。例如，混合动力电动汽车或电动汽车的局部结构对钙钛矿（如 LaGaO3）和溴闪石（如 Ba2In2O5）等电极材料以及可被视为这些末端材料之间的中间体的材料的远距离阴离子电导率的作用。本研究的第二部分还将研究 B 位点的变温 NMR 光谱（例如 71Ga、89Y NMR）来确定数字结构。阳离子的配位环境随温度的变化，而 17-O NMR 光谱将用于确定电极材料不同局部环境中氧离子的迁移率。该计划研究的材料将对以下领域具有重要的技术相关性：用于锂离子电池和燃料电池的下一代材料的设计使用硅作为锂离子电池的阳极材料可能具有巨大的商业利益。设计和参与该项目的研究生、本科生和高中生将通过他们的研究和课堂经验开发下一代能源材料、改进的电池和燃料电池，并接受复杂技术的培训，并了解如何利用这些技术解决重要的技术问题。 。