Effects of electrode microstructure and Li2O2 growth on Li-air battery performance

电极微观结构和Li2O2生长对锂空气电池性能的影响

• 批准号: 1804374
• 负责人: Ying Sun
• 金额: $ 44.93万
• 依托单位: Drexel University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-07-01 至 2023-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1804374&HistoricalAwards=false
• 关键词: Effects; electrode; microstructure; Li2O2; growth

The lithium (Li)-air battery, with its high usable energy density, is a promising battery solution for electric vehicles and renewable energy storage. However, current Li-air technology suffers from low round-trip efficiency and energy capacity. The cathode microstructure and the formation of the discharge product (lithium peroxide, Li2O2) can have a significant influence on the performance of the battery. The project seeks to examine the impact of the electrode's material structure and the understanding of the evolution of Li2O2 formation on Li-air cell performance via an integrated project that combines theoretical modeling and experiments. The development of cost-effective, long lasting, and high energy-density batteries is a crucial step towards the electrification of the nation's light-duty vehicle transportation fleet. While the development of battery materials is an active research area, the design of electrode material's structure has been mainly based on empirical knowledge within industry. The structure-property-performance pathway developed here will provide a baseline understanding of how and why the electrode architecture leads to premature battery failure and will enable virtual design of novel electrode structures for improved performance. This project involves two engineering disciplines and departments and builds an exciting collaboration to enable an integrated research program on Li-air electrode design that provides diverse training and mentoring opportunities for students. The project will enable new course materials and laboratory demonstrations for the Nanomanufacturing for Energy and Transport Phenomena courses that the PIs teach. In addition, the PIs will continue to actively mentor undergraduate researchers and recruit women and under-represented minority students in STEM into their research groups. The community outreach will be extended to Philadelphia inner-city K-12 teachers and students through the Philly Science Festival and the Drexel GK-12/REU programs.The goal of this project is to develop a closely integrated program that includes novel electrode fabrication, high fidelity multi-scale modeling, post-mortem and in-situ characterization, electrochemical testing, and high-performance computing to probe the effects of electrode microstructure and Li2O2 growth morphology on cell performance. The project combines the expertise of PI Sun on multi-scale modeling of transport phenomena and Co-PI Kalra on fabrication of novel nanomaterials for electrochemical energy storage. Combining the pore-scale transport resolved model with the phase-field model for Li2O2 growth, the multi-scale modeling approach accounts for rate-dependent Li2O2 morphology and morphology-dependent properties and is capable of simulating the coupled growth, transport, and electrochemistry based on 3D real electrode microstructures. The integrated experimental program provides geometry/property inputs to the model and directly validates the model predictions for both the Li2O2 morphology at the nanoscale and the battery performance at the cell level. The validated model combined with graphics processing unit (GPU)-enabled computing will be used to perform large-scale, dynamic simulations over many cycles to discover knowledge pathways from structural design of porous electrode to cell performance assessment.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

锂（Li） - 空气电池具有高可用的能量密度，是电动汽车和可再生能源存储的有前途的电池解决方案。但是，当前的Li-Air技术遭受较低的往返效率和能源容量。阴极微结构和排放产物的形成（过氧化锂，Li2O2）可能会对电池的性能产生重大影响。该项目旨在通过结合理论建模和实验的集成项目来检查电极材料结构的影响以及对Li2O2形成对Li-Air细胞性能的发展的理解。成本效益，持久和高能量密度电池的发展是朝着美国轻型车辆运输机队电气化的关键一步。虽然电池材料的开发是一个活跃的研究领域，但电极材料结构的设计主要基于行业内的经验知识。此处开发的结构质能绩效途径将对电极结构如何以及为什么导致过早电池故障提供基线理解，并能够实现新型电极结构的虚拟设计，以提高性能。该项目涉及两个工程学科和部门，并建立了令人兴奋的合作，以实现有关Li-Air Electrode Design的综合研究计划，为学生提供各种培训和指导机会。该项目将为PIS所教的能源和运输现象课程的纳米制造提供新的课程材料和实验室演示。此外，PI将继续积极指导本科研究人员，并将STEM中的女性和代表性不足的少数族裔学生招募到他们的研究小组中。 The community outreach will be extended to Philadelphia inner-city K-12 teachers and students through the Philly Science Festival and the Drexel GK-12/REU programs.The goal of this project is to develop a closely integrated program that includes novel electrode fabrication, high fidelity multi-scale modeling, post-mortem and in-situ characterization, electrochemical testing, and high-performance computing to probe the effects of electrode microstructure和LI2O2生长形态在细胞性能上。该项目结合了PI Sun在运输现象和Co-Pi Kalra的多尺度建模上的专业知识，以制造用于电化学能量储存的新型纳米材料。多尺度建模方法将孔隙尺度的传输解析模型与相位场模型相结合，以依赖速率的LI2O2形态和形态依赖性特性，并能够模拟基于3D真实电子微型结构的耦合生长，运输和电化学。集成的实验程序为模型提供了几何/属性输入，并直接验证了纳米级的LI2O2形态的模型预测和细胞级别的电池性能。经过验证的模型与图形处理单元（GPU）的计算将用于对许多循环进行大规模的动态模拟，以发现从多孔电极结构设计到细胞性能评估的知识途径。这项奖项反映了NSF的法规任务，并被认为是通过基金会的知识效果和广泛的范围来进行评估，并值得通过评估来进行评估。

项目成果

Electrospun nanostructures for conversion type cathode (S, Se) based lithium and sodium batteries

• DOI: 10.1039/c9ta00327d
• 发表时间: 2019-05
• 期刊: Journal of Materials Chemistry A
• 影响因子: 11.9
• 作者: Arvinder Singh;V. Kalra