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.

非技术摘要地位化学化学为当前可充电电池的锂离子技术提供了重要的替代方法，其自然丰度，低成本和更广泛的材料选择选择的优势最重要，因此提供了一种关键策略，以减少美国稀缺元素稀缺元素的风险。但是，与锂反应相比，钠化学对电极构成了相当大的机械变形，并产生了更多的压力和降解，从而损害了电池的性能。该项目在材料研究部内的陶瓷计划的支持下，旨在通过紧密整合新型实验，数据分析和建模方法来建立对电池降解的基本理解。这种知识对于阐明基于钠的电池的老化机制至关重要，钠基电池有助于开发同一应用的可靠性材料的发展。普渡大学和弗吉尼亚理工学院之间的多方面合作为开发与STEM相关职业的劳动力提供了独特的培训机会，并且与满足清洁能源行业的需求特别相关，而清洁能源行业的需求将在未来几十年中显着增长。这项研究还提供了一个平台，以继续招募和参与不足的群体，并教育未来的科学家有关收敛的研究技能和企业家培训的培训。技术总结旨在通过改变型号的机械型和跨越型号的素养量表，以在阶段和范围内进行阶段，以逐步了解lattece，cou cou cou ytate con，con，cou y lattest con，con，cou y lattest con，con，cou cou cou y lattest con，cou y lattests con，该项目旨在实现对化学力学的整体理解。钠离子电池的复合电极中的粒子网络。该研究基于以下假设：（i）局部结构对称性的分解不仅引起纳米级的晶格失真和应力梯度，而且还会影响晶格中的电荷分布，（ii）材料缺陷的随机性质与单个粒子的相位构图相关，从而导致压力/型号的相位，从而产生了压力/构图，从而产生了压力/构图的范围。 （iii）在复合电极中，电荷异质性，机械损伤和电化学活动共同进化，导致细胞中的动态离子/电子网络。在假设之后，该项目包括以下研究任务。 （i）使用受控合成，同步加速器分析技术和计算建模量化纳米级的缺陷特征并绘制纳米级的缺陷 - 收费组合。 （ii）使用谷物工程和表面涂料的设计了解单电陶瓷颗粒中的相压耦合。 （iii）使用机器学习确定复合电极中粒子网络的特征指标，了解操作条件下粒子网络的动态演化，并解释机械退化对电池性能的影响。总体而言，这项研究涵盖了从晶格量表到复合电极的基本理解，并奠定了对储能材料中化学机械降解的机械理解的基础，这一奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛影响的审查标准来通过评估来支持的。