Comparative Evaluation of Ionic Transport Mechanisms in Solid-State Electrolytes

固态电解质中离子传输机制的比较评估

• 批准号: 1610742
• 负责人: John Kieffer
• 金额: $ 58.84万
• 依托单位: Regents of the University of Michigan - Ann Arbor
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-09-15 至 2022-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1610742&HistoricalAwards=false
• 关键词: Comparative; Evaluation; Ionic; Transport; Mechanisms

NON-TECHNICAL DESCRPTION: A key aspect towards achieving batteries with energy and power densities that are competitive with fossil fuel is to develop solid-state electrolytes for use as the membrane that separates the anode and cathode. The most important property of this membrane, which facilitates the electrochemical process associated with energy conversion, is to exhibit high ionic conductivity. This issue is why current battery technologies rely on liquid electrolytes. Solid-state electrolytes allow for a more compact form factor, safer operation, and better longevity of batteries, but their ionic conductivity must be improved. To accomplish this goal, various schools of thought and types of materials, including inorganic glasses, fine-grained ceramics, and composites containing an organic plasticizer are being pursued. To date, much of this work has been done by trial and error. In the present project, the optimal materials design criteria for solid-state electrolytes are identified through a comparative study that involves a series of carefully conceived experiments and atomistic computer simulations. This research reveals the underlying fundamental relationships between materials structure, their mechanical properties, and ionic conductivities, including the development of improved theoretical models for the interpretation of experimental findings, which are capable of predicting the optimal materials design for desired performance characteristics. TECHNICAL DETAILS: Solid-state battery electrolytes are key to the advancement of green renewable energy storage technologies. In this research, the materials design criteria are being developed for solid-state electrolytes that exhibit the required high transport rates and transference numbers for small charge carrier cations. Additionally, these electrolytes must maintain a mechanical rigidity sufficient to suppress lithium dendrite growth and safely separate electrodes in self-supporting device structures, and possess an electrochemical stability range wide enough to accommodate large electrode potential differences. The current scope of materials design concepts encompasses materials from crystalline to amorphous, and from inorganic to organic, and with this research the most effective approach is being identified. To this end, the decisive ionic transport mechanisms are systematically isolated by formulating a series of prototype materials systems, each one selectively exposing the influence on the cation mobility that specific structural features within the major materials types have, including interfacial structures in polycrystalline ceramics, plasticizer phases in hybrid organic-inorganic composites, and engineered defects in ion-exchanged oxide glasses. These experiments are coupled with extensive atomistic simulations to interpret experimental findings and to develop theoretical models that facilitate a reliable and transferrable design strategy for solid-state electrolytes. Undergraduate and graduate students, as well as postdoctoral fellows are engaged in research that provides training in both computational and experimental methods of investigation, and that advances the National Materials Genome Initiative mandate through the development of computational tools for predictive materials design. The PI is establishing a bridge program to attract students graduating with a Masters degree from Minority-Serving Institutions (MSIs) with terminal programs, into Doctoral programs at the University of Michigan. He also helps organize the High School Teachers Materials Camp sponsored by ASM International and hosted by his department since 2002.

非技术描述：用化石燃料竞争能量和功率密度实现电池的关键方面是开发固态电解质，以用作将阳极和阴极分开的膜。该膜的最重要特性促进与能量转化相关的电化学过程，是表现出高离子电导率。这个问题就是为什么当前电池技术依赖液体电解质的原因。固态电解质可提供更紧凑的外形，更安全的操作和更好的电池寿命，但是必须提高其离子电导率。为了实现这一目标，正在追求各种思想和类型的材料，包括无机眼镜，细粒陶瓷和含有有机增塑剂的复合材料。迄今为止，这项工作的大部分都是通过反复试验完成的。在本项目中，通过比较研究涉及一系列精心构想的实验和原子计算机模拟的比较研究，确定了固态电解质的最佳材料设计标准。这项研究揭示了材料结构，机械性能和离子电导率之间的基本关系，包括开发改进的实验发现的理论模型，这些模型能够预测所需性能特征的最佳材料设计。技术细节：固态电池电解质是绿色可再生能源存储技术发展的关键。在这项研究中，正在为固态电解质开发材料设计标准，这些电解质表现出所需的小电荷载体阳离子所需的高运输速率和转移数量。此外，这些电解质必须保持足以抑制树突生长的机械刚度，并在自支撑设备结构中安全地分离电极，并具有足够宽的电化学稳定性范围，足以容纳大电极的潜在差异。材料设计概念的当前范围包括从晶体到无定形的材料，从无机到有机的材料，并且通过这项研究，最有效的方法被鉴定出来。为此，通过制定一系列原型材料系统来系统地隔离决定性的离子传输机制，每个系统都选择性地揭示了主要材料类型中特定的结构特征对阳离子迁移率的影响，包括多晶陶瓷的界面结构，多晶陶瓷，多晶陶瓷，杂种有机体中的增塑剂中的增塑剂，以及玻璃中的玻璃化植物和工程师的植物。这些实验与广泛的原子模拟相结合，以解释实验发现并开发理论模型，以促进固态电解质的可靠且可转让的设计策略。本科生和研究生以及博士后研究员都从事研究，以提供计算和实验性调查方法的培训，并通过开发用于预测材料设计的计算工具来提高国家材料基因组倡议的要求。 PI正在建立一项桥梁计划，以吸引来自少数族裔服务机构（MSIS）的硕士学位的学生，并通过终端计划进入密歇根大学的博士课程。他还帮助组织由ASM International赞助的高中教师材料营，并自2002年以来由其部门主持。