The Design and Understanding of Advanced Battery Materials

先进电池材料的设计和理解

• 批准号: RGPIN-2018-05235
• 负责人: McCalla, Eric
• 金额: $ 2.11万
• 依托单位: McGill University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2020
• 资助国家: 加拿大
• 起止时间: 2020-01-01 至 2021-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=713556
• 关键词: Design; Understanding; Advanced; Battery; Materials

The proposed research is devoted to the design of advanced materials for (i) energy storage systems and (ii) magnetic and electrical devices. The two main aspects of the research program will be: (a) the use of combinatorial approaches to discover new materials and (b) the development of fundamental understanding of their properties. This research program involves the following 3 sub-projects: 1) High-throughput synthesis and electrochemical studies of battery materials. We will capitalize on the previously established combinatorial synthesis of crystalline powders by combining established structural studies with high-throughput electrochemical methods. This project requires the development of combinatorial electrochemical tools for the study of positive electrode materials and solid electrolytes. These tools will allow for the rapid screening of promising new materials for a variety of energy storage applications. 2) Structural studies of charge storage materials and materials for magnetic/electronic devices. A combinatorial synthesis approach will be used to make novel materials to be studied by powder X-Ray Diffraction (XRD). This will enable detailed studies of broad composition spaces for materials of interest for a wide variety of applications. At first, this will be used for the study of positive electrodes for lithium-ion batteries, but this approach will also be used to study materials for both sodium-ion and all-solid-state batteries. The combinatorial approach will also be applied to make materials with non-uniform morphologies such as core-shell particles; this is becoming an important feature for next-generation materials. Beyond batteries, the combinatorial approach will be adapted and applied to systems of interest for magnetic/electronic devices including perovskites and Heusler alloys, with a particular focus on cases where, to date, the limited understanding of the compositional phase diagram has made determining the desired structure-property relationships impossible. 3) Detailed nano-scale studies of promising materials for targeted applications (e.g. high-energy positive electrodes for Li-ion batteries). Part of the proposed research includes performing classic solid-state syntheses and electrochemical studies of Li-ion positive electrode materials with high metal site vacancies as discovered in previous combinatorial studies. Coupling advanced characterization techniques (such as XRD, Transmission Electron Microscopy, and X-ray Photoelectron Spectroscopy) with computational techniques will help determine the structural/electronic changes which take place during charge-discharge cycling and guide the rational design of new advanced functional materials.

提出的研究致力于设计（i）储能系统以及（ii）磁性和电气设备的高级材料。研究计划的两个主要方面将是：（a）使用组合方法来发现新材料以及（b）对其性质的基本理解的发展。该研究计划涉及以下3个子项目： 1）电池材料的高通量合成和电化学研究。 我们将通过将既定的结构研究与高通量电化学方法相结合，利用先前建立的晶体粉末合成。 该项目需要开发组合电化学工具，以研究阳性电极材料和固体电解质。 这些工具将允许快速筛选有希望的新材料，以供各种储能应用。 2）电荷存储材料和磁性/电子设备的材料的结构研究。组合合成方法将用于制作粉末X射线衍射（XRD）研究的新型材料。 这将为广泛的构图空间提供详细的研究，以供各种应用材料。 首先，这将用于研究锂离子电池的阳性电极，但是该方法还将用于研究钠离子和全稳态电池的材料。 组合方法还将应用于制造具有不均匀形态（例如核心壳颗粒）的材料。这已成为下一代材料的重要特征。 除了电池之外，组合方法还将被调整并应用于包括钙钛矿和远马合金在内的磁性/电子设备感兴趣的系统，特别关注迄今为止对组成相图的有限理解已经确定所需的结构结构 - 特性关系的有限理解。 3）详细的纳米尺度研究针对目标应用有前途的材料（例如，锂离子电池的高能量阳性电极）。 拟议的研究的一部分包括进行经典的固态合成和对具有高金属位置空缺的锂离子阳性材料的电化学研究，如先前的组合研究中所发现的那样。耦合高级表征技术（例如XRD，透射电子显微镜和X射线光电子光谱）与计算技术将有助于确定在电荷隔离循环过程中发生的结构/电子变化，并指导新的高级功能材料的合理设计。