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

材料研究部固态材料化学项目授予纽约州立大学斯托尼布鲁克的这一更新奖项旨在了解电极材料和阴离子导体在操作条件下的功能。 通过这个项目，格雷教授将建立，测试和利用一个NMR探针，旨在获取功能和完整的锂离子电池的NMR光谱。锂化硅阳极材料，这是在亚稳晶相，将使用在和非原位7 Li和29 Si魔角自旋核磁共振（NMR）光谱和对分布函数分析的X射线和中子散射的组合进行研究。第二个应用涉及层状材料如LixCoO 2的纳米颗粒的研究，以确定尺寸和形态对充电这种材料时发生的各种相变的影响，以及电解质中充电材料的稳定性。 预期纳米颗粒阴极材料在例如混合电动或电动车辆中的高功率电池中具有应用。 本研究的第二部分还将研究局部结构对电极材料（如钙钛矿（如LaGaO 3）和棕钙钛矿（如Ba 2 In 2 O 5））沿着可被视为这些端数结构之间中间体的材料的长程阴离子电导率的作用。 变温NMR光谱法（例如，B位点的71 Ga，89 Y NMR）将用于确定作为温度的函数的阳离子的配位环境，而17-O NMR光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。该计划研究的材料将对下一代锂电池材料的设计具有重要的技术相关性。离子电池和燃料电池。 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。此外，该项目还将为下一代能源、改进电池和燃料电池材料的设计和开发提供基本见解。研究生，本科生和高中生通过他们的研究和课堂经验在这个项目工作将在复杂的技术与欣赏他们的使用来解决重要的技术问题的培训。

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.