Electronic and Ionic Transport in Block Copolymers

这个与能源和制造相关的项目是一个实验和理论合作研究纳米结构聚合物材料中形态对电子和离子传导的影响，这些材料具有明确定义的独立的电子和离子传输通道。将醛端PHT链与活的styl -PEO阴离子偶联，并掺杂适当的盐，使PHT畴具有电子导电性，PEO畴具有离子导电性，从而合成了区域规则型聚（3-己基噻吩）嵌段聚乙烯氧化物（PHT-PEO）。混合物的形态和载流子分布将通过标准技术，如电子显微镜和x射线散射，以及特定元素的技术，如能量滤波EM和软x射线共振散射来表征。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。在进行实验工作的同时，将进行理论和模拟研究，以了解实验观察到的关于形态和掺杂分布的基础，并为设计具有最佳性能的第二代系统提供见解。特别是，带状线圈模型将被开发来预测PHT-PEO体系的形态。结合离子溶剂化和链变形的理论将用于预测掺杂剂的分布。用于预测离子输运的计算机模拟将通过实验测量加以验证。这项工作将是纳米结构聚合物材料中电子和离子同时传输的第一个研究。结合实验和理论的努力将产生丰富的见解：载流子如何在纳米结构材料中分布，载流子的运动如何与聚合物的节段动力学耦合，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。这些见解可能会导致可充电电池和燃料电池中电极结构的全新设计策略。更广泛的影响这项研究与全国范围内创造并最终制造清洁、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，在这两个pi中？在国内部门，越来越多的研究生需要在能源相关的研究领域工作；这些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、仿真、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，拟议的研究可以作为一个平台，为高中生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项目的一部分

0965812WangIntellectual MeritThis energy-and manufacturing 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 ImpactsThe research is in sync with the nationwide efforts at creating and ultimately manufacturing clean and more efficient energy technologies. The systems studied have potential to directly translate into new battery technologies. Furthermore, in both PIs? 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