Collaborative Research: Mechanistic understanding of chemomechanics in phase-changing electroceramics for sodium-ion batteries

合作研究：钠离子电池相变电陶瓷化学力学的机理理解

• 批准号: 2325463
• 负责人: Kejie Zhao
• 金额: $ 32.61万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-02-01 至 2027-01-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2325463&HistoricalAwards=false
• 关键词: Collaborative; Research; Mechanistic; understanding; chemomechanics

NON-TECHNICAL SUMMARYSodium-ion chemistry provides a significant alternative to the current lithium-ion technology for rechargeable batteries with its foremost advantage of natural abundance, low cost, and much wider choices of material selection, therefore providing a critical strategy to reduce the risk of the low reserve of scarce elements in the US. However, compared to lithium reactions, sodium chemistry poses a considerable mechanical deformation to the electrodes and creates more stress and degradation that compromise battery performance. This project, supported by the Ceramics Program within the Division of Materials Research, seeks to create a fundamental understanding of battery degradation via a close integration of novel experiments, data analysis, and modeling approaches. Such knowledge is crucial to elucidating the aging mechanisms of sodium-based batteries, which synergistically contribute to the development of materials of enhanced reliability for the same applications. The multifaceted collaboration between Purdue and Virginia Tech provides unique training opportunities for developing workforce for STEM related careers, with particular relevance to meeting the demand of the clean energy industries, which is expected to grow significantly in the coming decades. The research also provides a platform to continue the recruitment and engagement of the underrepresented groups and to educate future scientists on convergent research skills and entrepreneurial training.TECHNICAL SUMMARYThe project aims to achieve a holistic understanding of chemomechanics in phase-changing electroceramic electrodes through mechanistic studies of defects-charge coupling at the lattice scale, phase-stress coupling in single particles, and statistics of the particle network in the composite electrodes of sodium-ion batteries. The research is based on the hypothesis that: (i) the breakdown of the local structural symmetry not only induces lattice distortion and stress gradient at the nanoscale but also impacts the charge distribution in the lattice, (ii) the stochastic nature of material defects is coupled with the phase inhomogeneity in the single particles that gives rise to a stress/strain profile largely deviated from the conventional core-shell pattern; and (iii) in composite electrodes, the charge heterogeneity, mechanical damage, and electrochemical activities co-evolve, resulting in a dynamic ionic/electronic network in the cell. Following the hypothesis, the project includes the following research tasks. (i) Quantify the defect characteristics and map the defects-charging-composition at the nanoscale using controlled synthesis, synchrotron analytical techniques, and computational modeling. (ii) Understand the phase-stress coupling in the single electroceramic particles using the designs of grain engineering and surface coating. (iii) Identify the characteristic metrics of particle network in composite electrodes using machine learning, understand the dynamic evolution of particle network under operating conditions, and interpret the impact of mechanical degradation on battery performance. Overall, the research spans the basic understanding from the lattice scale up to the composite electrode and lays a foundation of mechanistic understanding of chemomechanical degradation in energy storage materiaThis 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.

非技术概述钠离子化学提供了一个重要的替代目前的锂离子技术的可充电电池，其最重要的优势是天然丰富，成本低，更广泛的材料选择，因此提供了一个关键的战略，以减少风险的低储备的稀缺元素在美国。然而，与锂反应相比，钠化学对电极造成相当大的机械变形，并产生更多的应力和降解，从而损害电池性能。该项目由材料研究部陶瓷项目支持，旨在通过紧密结合新颖的实验，数据分析和建模方法，对电池退化进行基本了解。这些知识对于阐明钠基电池的老化机制至关重要，这将协同有助于开发用于相同应用的增强可靠性的材料。普渡大学和弗吉尼亚理工大学之间的多方面合作为培养STEM相关职业的劳动力提供了独特的培训机会，特别是满足清洁能源行业的需求，预计未来几十年将显着增长。该研究还提供了一个平台，继续招聘和参与的代表性不足的群体，并教育未来的科学家收敛的研究技能和创业培训。技术总结该项目旨在实现一个全面的了解化学力学相变电瓷电极通过机械研究的缺陷电荷耦合在晶格尺度上，相应力耦合在单个粒子，以及钠离子电池复合电极中颗粒网络的统计。该研究基于以下假设：（i）局部结构对称性的破坏不仅引起纳米尺度下的晶格畸变和应力梯度，而且影响晶格中的电荷分布;（ii）材料缺陷的随机性与单个颗粒中的相不均匀性相耦合，导致应力/应变分布大大偏离常规的核-壳模式;以及（iii）在复合电极中，电荷不均匀性、机械损伤和电化学活性共同演变，导致电池中的动态离子/电子网络。根据这一假设，本项目包括以下研究任务。(i)量化的缺陷特性和地图的缺陷充电组成在纳米级使用控制合成，同步加速器分析技术，和计算建模。(ii)利用晶粒工程设计及表面涂层设计，了解单一电瓷粒子的相应力耦合。(iii)利用机器学习识别复合电极中颗粒网络的特征指标，了解运行条件下颗粒网络的动态演化，解读机械退化对电池性能的影响。总体而言，该研究涵盖了从晶格尺度到复合电极的基本理解，并奠定了对储能材料化学机械降解的机械理解的基础。该奖项反映了NSF的法定使命，并被认为值得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来支持。