Collaborative Research: Electronic and Ionic Transport in Block Copolymers

合作研究：嵌段共聚物中的电子和离子传输

• 批准号: 0966632
• 负责人: Nitash Balsara
• 金额: $ 20.1万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-06-01 至 2013-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0966632&HistoricalAwards=false
• 关键词: Collaborative; Research; Electronic; Ionic; Transport

0966632BalsaraIntellectual Merit:This energy related project is a collaborative experimental and theoretical study of the effect of morphology on electron and ion conduction in nanostructured polymer materials with clearly defined independent channels for electronic and ionic transport. Regio regular poly(3-hexylthiophene) block polyethyleneoxide (PHT-PEO) will be synthesized by coupling aldehyde terminated PHT chains with living styryl-PEO anions, and doped with the appropriate salts to make the PHT domain electron conducting and the PEO domain ion-conducting. The morphology of the mixtures and charge carrier distribution will be characterized by standard techniques such as electron microscopy and X-ray scattering, as well as element specific techniques such as energy filtered EM and resonant soft X-ray scattering. A combination of DC- and AC-impedance spectroscopy will be used to measure the ionic and electronic conductance of the doped copolymer. Concurrently with the experimental efforts, theoretical and simulation studies will be performed to understand the underpinnings of the experimental observations regarding morphology and dopant distribution, and to provide insight for designing second generation systems with optimal properties. In particular, a ribbon coil model will be developed to predict the morphology of PHT-PEO systems. Theories that incorporate both ion solvation and chain deformation will be used to predict dopant distribution. Computer simulations used to predict ion transport will be validated using experimental measurements.This work will be the first study of the simultaneous electronic and ionic transport in nanostructured polymer materials. The combined experimental and theoretical efforts will yield rich insights into: how charge carries are distributed in nanostructured materials, how the motion of charge carriers couples to the segmental dynamics of the polymers, how the local nanostructure and large scale grain structure influences charge transport, and how doping agents alter the morphology of the self assembled polymeric structures. These insights may lead to entirely new design strategies for electrode architectures in rechargeable batteries and fuel cells.Broader Impacts:The research is in sync with the nationwide efforts at creating clean and more efficient energy technologies. The systems studied have potential to directly translate into new battery technologies. Furthermore, in both PI's home departments, there is an increasing need among the graduate students to work in energy related research areas; the projects fulfill that need by providing them with the opportunity to do research in a technologically important area, while receiving a multidisciplinary training in theory, simulation, modeling, thermodynamics, synthesis and characterization of polymers, optics, scattering, and electrochemistry. Equally important, the proposed research serves as a platform for developing new educational packages for high school and undergraduate students. In this respect, the PIs will develop and execute lectures and demonstrations on electrochemistry and batteries as part of the Math and Science Summer Academy program at Berkeley.

0966632 Balsara智力优点：这个能源相关的项目是一个合作的实验和理论研究的形态对电子和离子传导的纳米结构聚合物材料具有明确定义的独立通道的电子和离子传输的影响。通过将苯乙烯基聚氧化乙烯（styryl-PEO）阴离子与聚3-己基噻吩（PHT）链偶联，合成了区域规则的聚（3-己基噻吩）嵌段聚氧化乙烯（PHT-PEO），并掺杂适当的盐，使PHT区域具有电子导电性，PEO区域具有离子导电性。混合物的形态和电荷载流子分布将通过标准技术如电子显微镜和X射线散射以及元素特定技术如能量过滤EM和共振软X射线散射来表征。直流和交流阻抗谱的组合将用于测量掺杂共聚物的离子和电子电导。同时与实验的努力，理论和模拟研究将进行了解有关形态和掺杂剂分布的实验观察的基础，并提供设计具有最佳性能的第二代系统的见解。特别是，将开发一个带状线圈模型来预测PHT-PEO系统的形态。将离子溶剂化和链变形的理论将用于预测掺杂剂分布。用于预测离子输运的计算机模拟将使用实验测量进行验证。这项工作将是第一次研究纳米结构聚合物材料中的电子和离子同时输运。结合实验和理论的努力将产生丰富的见解：如何在纳米结构的材料中分布的电荷载流子，电荷载流子的运动如何耦合到聚合物的链段动力学，如何本地纳米结构和大规模的晶粒结构影响电荷传输，以及掺杂剂如何改变自组装聚合物结构的形态。这些见解可能会为可充电电池和燃料电池的电极结构带来全新的设计策略。更广泛的影响：该研究与全国范围内创造清洁和更高效能源技术的努力同步。所研究的系统有可能直接转化为新的电池技术。此外，在PI的两个家庭部门，研究生越来越需要在能源相关的研究领域工作;该项目通过为他们提供在技术重要领域进行研究的机会来满足这一需求，同时接受理论，模拟，建模，热力学，聚合物的合成和表征，光学，散射和电化学的多学科培训。同样重要的是，拟议的研究作为一个平台，为高中和本科生开发新的教育包。在这方面，PI将开发和执行电化学和电池的讲座和演示，作为伯克利数学和科学暑期学院课程的一部分。