Bridging Mechanics and Electrochemistry: Theories and Experiments on Battery Materials

桥接力学和电化学：电池材料的理论与实验

• 批准号: 1726392
• 负责人: Kejie Zhao
• 金额: $ 32.64万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-07-15 至 2022-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1726392&HistoricalAwards=false
• 关键词: Bridging; Mechanics; Electrochemistry; Theories; Experiments

Mechanical issues are ubiquitous in energy storage, conversion, and harvesting. In rechargeable batteries, which are a key enabler of portable electronics and electrification of automotive transportation, mechanical degradation compromises the performance of current technology and limits the implementation of next-generation high-capacity energy materials. This project seeks to describe the aging mechanisms in batteries, which would also facilitate the development of energy storage materials with enhanced mechanical reliability. This will be achieved through a focus on understanding the fundamental coupling between mechanical forces and electrochemistry or energy storage performance via a close integration of theoretical modeling and experimental characterizations. The outcome of this research will have a broad impact on diverse sectors of the industry, from wearable electronics to electric cars. On the education front, the project will create opportunities to train graduate students in the complex sciences of electrochemistry and mechanics as well as educate students in the mechanics of energy storage materials. The outreach activities will also enhance an existing collaboration with the Women in Engineering program at Purdue to encourage participation of female students in engineering sciences.The overarching goal of this project is to unravel the fundamental coupling between mechanics and electrochemistry using integrated theories and experiments on battery materials. Research effort include formulating a theory of stress-modulated electron transfer and ion diffusion to understand the effects on energy capacity. Similarly, the continuum theory of stress-composition-reaction coupling will lay a foundation for understanding how mechanical stress modulates the electrochemical processes and how the latter mediates failure and aging of energy materials. The computational modeling of heterogeneous structures in batteries will advance the understanding of stress-regulated kinetics and capacity. The experiments will use energy harvester devices and solid-state batteries in conjunction with a novel electrochemical nano-indenter and coupons based on mechanical testing standards to provide data for the validation of the continuum theories.

机械问题在能量存储、转换和收获中无处不在。在可充电电池中，这是便携式电子产品和汽车运输电气化的关键推动因素，机械退化损害了当前技术的性能，并限制了下一代高容量能源材料的应用。该项目旨在描述电池的老化机制，这也将有助于开发具有增强机械可靠性的储能材料。这将通过对机械力和电化学或储能性能之间的基本耦合的理解，通过理论建模和实验表征的紧密结合来实现。这项研究的结果将对从可穿戴电子产品到电动汽车的各个行业产生广泛的影响。在教育方面，该项目将为培养电化学和力学等复杂科学的研究生创造机会，并为学生提供储能材料力学方面的教育。这些推广活动还将加强与普渡大学妇女参与工程项目的现有合作，以鼓励女学生参与工程科学。该项目的总体目标是利用电池材料的综合理论和实验，解开力学和电化学之间的基本耦合。 研究工作包括建立应力调制电子转移和离子扩散的理论，以了解对能量容量的影响。同样，应力-成分-反应耦合的连续介质理论将为理解机械应力如何调节电化学过程以及后者如何介导能源材料的失效和老化奠定基础。电池中异质结构的计算建模将促进对应力调节动力学和容量的理解。这些实验将使用能量采集器设备和固态电池，结合新型电化学纳米压头和基于机械测试标准的试样，为连续统理论的验证提供数据。

项目成果

Heterogeneous Damage in Li-Ion Batteries: Experimental Analysis and Theoretical Modeling

• DOI: 10.1016/j.jmps.2019.05.003
• 发表时间: 2019-08
• 期刊: ECS Meeting Abstracts
• 作者: Rong Xu;Yang Yang-Yang;Fei Yin;Pengfei Liu;P. Cloetens;Yijin Liu;Feng Lin;K. Zhao

Operando Nanoindentation: A New Platform to Measure the Mechanical Properties of Electrodes during Electrochemical Reactions

• DOI: 10.1149/2.1411714jes
• 发表时间: 2017
• 期刊: Journal of The Electrochemical Society
• 影响因子: 3.9
• 作者: L. Vasconcelos;Rong Xu;K. Zhao

Grain Boundaries and Their Impact on Li Kinetics in Layered-Oxide Cathodes for Li-Ion Batteries

• DOI: 10.1021/acs.jpcc.1c02400
• 发表时间: 2021-05-10
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY C
• 影响因子: 3.7
• 作者: He, Xiaomei;Sun, Hong;Zhao, Kejie
• 通讯作者: Zhao, Kejie

In-Situ Nanoindentation Measurement of Local Mechanical Behavior of a Li-Ion Battery Cathode in Liquid Electrolyte

• DOI: 10.1007/s11340-018-00451-6
• 发表时间: 2018-11
• 期刊: Experimental Mechanics
• 影响因子: 2.4
• 作者: L. S. de Vasconcelos;N. Sharma;R. Xu;K. Zhao

Quantitative spatiotemporal Li profiling using nanoindentation

• DOI: 10.1016/j.jmps.2020.104102
• 发表时间: 2020-11
• 期刊: Journal of The Mechanics and Physics of Solids
• 影响因子: 5.3
• 作者: L. Vasconcelos;Rong Xu;K. Zhao