Mechanics of Organic Mixed Ionic-Electronic Conductors (OMIECs)

有机混合离子电子导体 (OMIEC) 的力学

• 批准号: 2210158
• 负责人: Kejie Zhao
• 金额: $ 39.81万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-09-01 至 2025-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2210158&HistoricalAwards=false
• 关键词: Mechanics; Organic; Mixed; Ionic; Electronic

This grant will focus on understanding the mechanical behavior of organic conductors in interaction with conduction of ions and electrons. Organic mixed ionic-electronic conductors are the core functional component of organic electrochemical devices such as organic electrochemical transistors, electrochromic devices, energy harvesters/storage, and light-emitting devices. While most efforts on mixed conductors are currently focused on the charge and ion dynamics, the strong coupling of the electronic/ionic conduction with structural changes and mechanical deformation is largely unknown. This project will formulate a theoretical framework and experimental protocols for the understanding, evaluation, and improvement of organic mixed conductors for mechanically reliable, high performance organic electronics. The research will create fundamental knowledge on the concurrent ionic-electronic transport and chemomechanical responses in polymeric conductors via a close integration of theoretical and experimental approaches. The interdisciplinary nature of the project provides unique training opportunities for students at different levels. The various outreach activities, in collaboration with the Women in Engineering Program at Purdue, will focus on the engagement of underrepresented minorities, and will promote the interest of undergraduate and K-12 students toward the engineering career pathway.The overarching goal of the research is to understand the interplay between electronic, ionic, and mechanical responses in organic conductors using coordinated multi-physics continuum theories, multi-scale computational modeling, and experimental validations. The project includes three specific tasks. (i) Formulate a continuum theoretical framework that describes the underlying physics of mass transport, electron/hole conduction, and mechanical stresses. Develop a finite element model to simulate the electrochemical/mechanical processes in organic comductors. Perform electrochemical/moving front experiments on the doping kinetics and stress-sensitive kinetics to feed the theory. (ii) Understand the mechanical constitutive behavior and the molecular-scale structure-property relationship through complementary tools of in-situ nanoindentation and molecular modeling on intermolecular interactions. (iii) Understand the mechanical damage using finite element analysis and experiments. Conduct mechanical tests to evaluate interfacial strength, perform cyclic voltammetry to evaluate the electrochemical performance, and employ optical microscope and absorbance spectroscopy to identify mechanical damage. Unravel the correlation between the mechanical reliability and device performance and determine the key material and geometrical parameters that govern the damage initiation and evolution in solid-state organic devices. The fundamental understanding on the mechanics of organic mixed conductors will shift the research paradigm towards a complete design spectrum of concurrent ionic and electronic conduction and mechanical reliability in electrochemical devices.This 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.

这项资助将侧重于了解有机导体在与离子和电子传导相互作用中的机械行为。有机混合离子-电子导体是有机电化学器件的核心功能部件，如有机电化学晶体管、电致变色器件、能量收集器/存储器、发光器件等。虽然目前大多数对混合导体的研究都集中在电荷和离子动力学上，但电子/离子传导与结构变化和机械变形的强耦合在很大程度上是未知的。该项目将为理解、评估和改进机械可靠、高性能有机电子的有机混合导体制定理论框架和实验协议。该研究将通过理论和实验方法的紧密结合，创造聚合物导体中并发离子电子传输和化学力学响应的基础知识。该项目的跨学科性质为不同层次的学生提供了独特的培训机会。与普渡大学女性工程项目合作的各种外展活动将重点关注未被充分代表的少数民族的参与，并将促进本科生和K-12学生对工程职业道路的兴趣。该研究的总体目标是利用协调的多物理连续体理论、多尺度计算模型和实验验证来理解有机导体中电子、离子和机械响应之间的相互作用。该项目包括三个具体任务。(i)制定一个连续统理论框架，描述质量输运、电子/空穴传导和机械应力的基本物理。开发一个有限元模型来模拟有机导体的电化学/机械过程。对掺杂动力学和应力敏感动力学进行电化学/移动前沿实验，为理论提供依据。（ii）通过原位纳米压痕和分子间相互作用的分子模型的互补工具，了解力学本构行为和分子尺度的结构-性能关系。（iii）通过有限元分析和实验了解机械损伤。通过力学测试来评估界面强度，使用循环伏安法来评估电化学性能，并使用光学显微镜和吸收光谱来识别机械损伤。揭示机械可靠性与器件性能之间的关系，确定控制固态有机器件损伤起始和演化的关键材料和几何参数。对有机混合导体力学的基本理解将使研究范式转向电化学器件中并发离子和电子传导和机械可靠性的完整设计谱。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

A continuum theory of organic mixed ionic-electronic conductors of phase separation

• DOI: 10.1016/j.jmps.2022.105178
• 发表时间: 2022-12
• 期刊: Journal of the Mechanics and Physics of Solids
• 影响因子: 5.3
• 作者: Xiaokang Wang;K. Zhao