Collaborative Research: Electronic and Ionic Transport in Block Copolymers

智能优点：这个与能量相关的项目是对纳米结构聚合物材料中形态对电子和离子传导的影响进行合作的实验和理论研究，这些材料具有明确定义的独立的电子和离子传输通道。将端醛的聚(3-己基噻吩基)嵌段聚氧乙烯(PHT-PEO)链与活性的苯乙烯基-PEO阴离子偶联，并掺入适量的盐，使PHT区电子导电，PEO区离子导电，合成区域规整聚(3-己基噻吩基)嵌段聚氧乙烷(PHT-PEO)。混合物的形态和电荷载流子分布将通过电子显微镜和X射线散射等标准技术以及能量过滤EM和共振软X射线散射等特定元素技术进行表征。直流和交流阻抗谱的组合将被用来测量掺杂的共聚物的离子和电子电导。在实验工作的同时，将进行理论和模拟研究，以了解关于形态和掺杂分布的实验观察的基础，并为设计具有最佳性能的第二代系统提供洞察力。特别是，将开发一个带状线圈模型来预测PHT-PEO体系的形态。结合离子溶剂化和链变形的理论将被用来预测掺杂剂的分布。用于预测离子传输的计算机模拟将通过实验测量来验证。这项工作将是第一次研究纳米结构聚合物材料中同时存在的电子和离子传输。实验和理论相结合的工作将产生丰富的见解：载流子如何在纳米结构材料中分布，载流子的运动如何耦合到聚合物的链段动力学，局部纳米结构和大尺度颗粒结构如何影响电荷传输，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。广泛的影响：这项研究与全国范围内创造更清洁、更高效的能源技术的努力是同步的。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，研究生越来越需要从事与能源相关的研究领域；这些项目通过为他们提供在重要技术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、聚合物合成和表征、光学、散射和电化学等多学科培训。同样重要的是，这项拟议的研究作为一个平台，为高中生和本科生开发新的教育方案。在这方面，作为伯克利数学和科学暑期学院计划的一部分，PI将开发和执行关于电化学和电池的讲座和演示。

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.