Moldable, self-healing, highly conductive organic co-crystalline solid electrolytes for safer lithium ion batteries

可成型、自修复、高导电性有机共晶固体电解质，用于更安全的锂离子电池

• 批准号: 2138432
• 负责人: Michael Zdilla
• 金额: $ 48万
• 依托单位: Temple University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-02-01 至 2025-01-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2138432&HistoricalAwards=false
• 关键词: Moldable; self; healing; highly; conductive

Non-Technical SummaryFor this project, supported by the Solid State and Materials Chemistry program in the Division of Materials Research, the research groups of Profs. Zdilla and Wunder at Temple University are developing a new class of solid electrolyte separators for lithium-ion batteries. Current lithium-ion battery technology relies on the use of a flammable and potentially explosive liquid electrolyte which has led to battery fires and explosions in mobile devices, electric vehicles, and other applications. The development of solid, minimally flammable replacements would enhance the safety of these devices. However, many currently investigated solid electrolytes exhibit poor performance or incompatibility with existing battery chemistry. With this award, the principal investigators synthesize and study soft-solid co-crystalline electrolytes (i.e. electrolytes that combine two or more molecular components but form a uniform crystalline structure) to understand the fundamental materials chemistry that could enable higher-power performance and promise compatibility with existing and next-generation battery components. The researchers also use computational tools to better understand these materials that consist of new combinations of organic framework molecules and lithium-ion sources and characterize their electrochemical properties. The project serves the national interest by developing a fundamental understanding that enables technologies to improve the safety and performance of batteries, an ever-more central component of technology in mobile devices, transportation, and clean energy. Realization of safe, high-power, high-energy battery technology provides a path toward solar energy storage and decreased use of fossil fuels for transportation, both of which provide greater energy independence for the United States, and a means to decrease carbon footprint for the health of the climate. Further, this research serves to train the next generation of scientists at one of the most diverse schools in the country and serves underrepresented groups with great effect.Technical Summary.For this project, supported by the Solid State and Materials Chemistry program in the Division of Materials Research, the research groups of Profs. Zdilla and Wunder at Temple University develop a new class of solid electrolyte separators for lithium-ion batteries. Progress in battery electrolyte research has been incremental and essentially relegated to modifications of liquid organic systems, solid polymers, and solid ceramics. The new class of solid electrolytes investigated under this effort has the potential to enable better conductivity than other solid organic electrolytes, while at the same time exhibiting better voltage stability and electrode stability windows than liquids, the current market standard. The researchers investigate the materials’ novel mechanophysical properties from a fundamental research perspective, including a developing a surface liquid layer that facilitates self-healing. While the concept of a surface liquid-solid equilibrium is known (as in the classic example of water-ice), this property has never been applied to electrolyte materials, and thus represents an opportunity for fundamental insights. The objectives of the research are: 1: Preparation and characterization of ion-matrix cocrystals with optimized conductivity and lithium-ion transference numbers (tLi+). This is achieved by maximizing the mobility of the cation while minimizing the mobility of the anion, which is achieved by designing matrices that interact strongly with the anion, but not with the cation. 2: Evaluation of electrochemical performance and mechanical/thermal properties. This is achieved using characterization using X-ray diffraction, electrochemical analysis (electrochemical impedance spectroscopy, cyclic voltammetry, linear sweep voltammetry, and cycling studies), thermal analysis (DSC, TGA), and post-mortem analysis by electron microscopy. 3: Modelling the physical properties and mechanism of ion conduction using molecular dynamics and quantum molecular computation.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.

非技术摘要在该项目中，天普大学 Zdilla 和 Wunder 教授的研究小组正在材料研究部的固态和材料化学项目的支持下，开发一种新型的锂离子电池固体电解质隔膜。目前的锂离子电池技术依赖于使用易燃且具有潜在爆炸性的液体电解质，这导致移动设备、电动汽车和其他应用中的电池起火和爆炸。固体、易燃性最低的替代品将提高这些设备的安全性。然而，目前研究的许多固体电解质表现出性能较差或与现有电池化学不相容，因此主要研究人员合成并研究了软固体共晶电解质。研究人员还使用计算工具来更好地了解可以实现更高功率性能并保证与现有和下一代电池组件兼容的基本材料化学。了解这些由有机骨架分子和锂离子源的新组合组成的材料，并表征其电化学特性，该项目通过发展基本了解来服务于国家利益，使技术能够提高电池的安全性和性能，这是一个越来越重要的问题。移动设备、交通和清洁能源技术的核心组成部分，安全、高功率、高能电池技术的实现为太阳能存储和减少交通运输中化石燃料的使用提供了一条道路，这两者都提供了更大的能源独立性。对于美国来说，以及减少碳足迹的一种方法此外，这项研究旨在培养该国最多元化的学校之一的下一代科学家，并为代表性不足的群体提供巨大的影响。技术摘要。对于该项目，由固态和天普大学材料研究部的材料化学项目的 Zdilla 和 Wunder 教授的研究小组开发了一种用于锂离子电池的新型固体电解质隔膜，电池电解质研究取得了渐进式的实质性进展。与液体有机系统、固体聚合物和固体陶瓷的改性有关，在这项工作中研究的新型固体电解质有可能比其他固体有机电解质具有更好的导电性，同时表现出更好的电压稳定性和电极稳定性。研究人员从基础研究的角度研究了材料的新颖机械物理特性，包括开发有利于自我修复的表面液体层，而表面液固平衡的概念是已知的。作为在水-冰的经典例子中），这种特性从未应用于电解质材料，因此代表了获得基本见解的机会。研究的目标是：1：具有优化的电导率和性能的离子基质共晶体的制备和表征。这是通过最大化阳离子的迁移率同时最小化阴离子的迁移率来实现的，这是通过设计与阴离子强烈相互作用但不与阴离子相互作用的基质来实现的。 2：通过使用 X 射线衍射、电化学分析（电化学阻抗谱、循环伏安法、线性扫描伏安法和循环研究）、热分析（DSC、 TGA），以及电子显微镜的事后分析3：使用分子动力学和量子分子计算模拟离子传导的物理性质和机制。该奖项反映了通过使用基金会的智力价值和更广泛的影响审查标准进行评估，NSF 的法定使命被认为值得支持。

项目成果

A soft co-crystalline solid electrolyte for lithium-ion batteries

• DOI: 10.1038/s41563-023-01508-1
• 发表时间: 2023-04
• 期刊: Nature Materials
• 影响因子: 41.2
• 作者: P. Prakash;Birane Fall;Jordan Aguirre;L. Sonnenberg;Parameswara Chinnam;Sumanth Chereddy;D. Dikin;A. Venkatnathan;S. Wunder;Michael J. Zdilla

Mechanism of Ion Conduction and Dynamics in Tris( N , N -dimethylformamide) Perchloratosodium Solid Electrolytes

三(N,N-二甲基甲酰胺)高氯酸钠固体电解质中的离子传导和动力学机制

• DOI: 10.1021/acs.jpcc.1c09005
• 发表时间: 2022
• 期刊: The Journal of Physical Chemistry C
• 作者: Prakash, Prabhat;Shylendran, Ardhra;Fall, Birane;Zdilla, Michael J.;Wunder, Stephanie L.;Venkatnathan, Arun
• 通讯作者: Venkatnathan, Arun

The High-Temperature Polymorph of LiBF 4

LiBF 4 的高温多晶型物

• DOI: 10.1021/acs.jpclett.3c02961
• 发表时间: 2024
• 期刊: The Journal of Physical Chemistry Letters
• 作者: Sonnenberg, Laura A.;Chandra Paul, Shujit;Wunder, Stephanie L.;Zdilla, Michael J.
• 通讯作者: Zdilla, Michael J.