Collaborative Research: Mesoscale Investigation of Microstructure-Transport Interaction of High-Capacity Electrodes for Energy Storage

合作研究：高容量能量电极的微观结构-传输相互作用的中尺度研究1438431-Partha P. Mukherjee（德克萨斯A M大学），1438683-乔治J.纳尔逊（亨茨维尔的亚拉巴马大学）能量存储是车辆电气化的关键推动因素。&锂离子电池（LIB）被认为是车辆储能的候选者之一。然而，加速创新以提高锂离子电池的性能、寿命和安全性至关重要。需要解决的一个因素是增加电动汽车的行驶里程，即车辆在无需充电的情况下可以行驶的距离。 这就需要极大地提高锂离子电池的能量密度。“纳米结构材料最近在高性能电极开发方面取得了突破，特别是在储能能力方面。例如，基于纳米结构锡合金的高容量阳极与常规石墨阳极相比可以实现电池容量的显著增加。然而，这些材料在与锂反应时经历过度的体积变化，导致电极结构的急剧变化，从而导致电池性能的劣化。本研究旨在开发一种集成的计算和实验方法，从而对高容量LIB电极中的微观结构，电化学和传输现象相互作用产生根本性的见解。开发具有循环稳定性和更长寿命的高性能锂离子电池电极可以为汽车和其他应用的储能技术提供重大突破。这项工作的目标是促进对高容量锂离子电池电极（例如锡基介孔金属间化合物阳极）性能衰减的微观结构和相演变机制的基本理解。在这方面，一个协同的计算和实验研究计划，将集中在中尺度的运输，反应和力学的相互作用，在电极结构。PI预计，断层扫描，介观建模和电化学研究将对高容量LIB电极的开发产生重大影响。所获得的断层扫描数据和相关的中尺度模型将拓宽储能材料的3D微观结构数据集和研究界目前可用的相关分析工具。综合教育和外联计划将把研究生、本科生和高中生聚集在一起，沿着特别强调代表性不足和少数民族学生的参与。研究结果也将纳入课程编制工作。据设想，这种协同增效办法将在清洁和可持续能源的更广泛背景下产生重大惠益。

Collaborative Research: Mesoscale Investigation of Microstructure-Transport Interaction of High-Capacity Electrodes for Energy Storage1438431 - Partha P. Mukherjee (Texas A&M University), 1438683 - George J. Nelson (University of Alabama in Huntsville)Energy storage is a key enabler for vehicle electrification. The lithium-ion battery (LIB) is being considered as one of the candidates for vehicular energy storage. It is, however, critical to accelerate innovation toward improved performance, life and safety of lithium-ion batteries. One factor that needs to be addressed is increasing the drive range of electric vehicles, that is the distance the vehicle can go without having to be recharged. This requires dramatic improvement in the LIB "energy density." Nanostructured materials have spurred recent breakthroughs in high-performance electrode development, particularly with respect to energy storage capacity. For example, high-capacity anodes based on nanostructured tin alloys can achieve significant increase in battery capacity compared to conventional graphite anodes. However, these materials undergo excessive volume change when reacting with lithium, leading to dramatic changes in the electrode structure that causes deterioration of battery performance. This research aims to develop an integrated computational and experimental approach that will lead to fundamental insights into the microstructure, electrochemical and transport phenomena interactions in high-capacity LIB electrodes. Development of high-performance LIB electrodes with cyclic stability and longer life could provide a major breakthrough in energy storage technology for automotive and other applications.The goal of this work is to foster fundamental understanding of the microstructural and phase evolution mechanisms that drive performance decay in high-capacity Li-ion battery electrodes, e.g. tin-based mesoporous intermetallic anodes. In this regard, a synergistic computational and experimental investigation is planned that will focus on mesoscale transport, reaction and mechanics interplay in electrode structures. The PIs anticipate that the tomography, mesoscle modeling and electrochemical studies will have a significant impact on the development of high-capacity LIB electrodes. The tomographic data obtained and the related mesoscale models will broaden the set of 3D microstructural data for energy storage materials and related analysis tools that are currently available to the research community. The integrated education and outreach plan will bring together graduate, undergraduate and high school students, along with a strong emphasis on the participation of underrepresented and minority students. Research findings will also be integrated into curriculum development efforts. It is envisioned that this synergistic approach will have significant benefits in the broader context of clean and sustainable energy.