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.

该奖项由材料研究部固态材料化学项目授予纽约州立大学石溪分校，旨在了解电极材料和阴离子导体在操作条件下的功能。在这个项目中，格雷教授将建立、测试和利用一个核磁共振探针，该探针旨在获取功能完好的锂离子电池的核磁共振光谱。本文将采用7Li和29Si幻角自旋核磁共振（NMR）和x射线和中子散射对分布函数分析相结合的方法，对处于亚稳晶相的锂化硅负极材料进行研究。第二个应用涉及层状材料的纳米颗粒的研究，如LixCoO2，以确定尺寸和形态对这种材料充电时发生的各种相变的影响，以及带电材料在电解质中的稳定性。纳米颗粒阴极材料有望在高功率电池中得到应用，例如混合动力或电动汽车。局部结构对钙钛矿（如LaGaO3）和棕粒矿（如Ba2In2O5）等电极材料的远距离阴离子电导率的作用，以及可以被视为这些端数结构之间中间体的材料，也将作为本研究的第二部分进行研究。B位的变温核磁共振波谱（例如，71Ga， 89Y核磁共振）将用于确定阳离子的配位环境作为温度的函数，而17 - O核磁共振波谱将用于确定氧化物离子在电极材料的不同局部环境中的迁移率。该项目研究的材料将对下一代锂离子电池和燃料电池材料的设计具有重要的技术意义。使用硅作为锂离子电池的负极材料可能具有很大的商业价值。此外，该项目将为下一代能源材料的设计和开发提供基础见解，改进电池和燃料电池。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接受复杂技术的培训，并了解如何使用这些技术来解决重要的技术问题。