DMREF: Paired Ionic-Electronic Conductors in Spatially Confined Self-Assembling Rod-Coil Block Copolymers and Bolaamphiphiles

非技术描述：目标材料和设备提供了满足和改善从能量收集和储存到传感和检测的各种需求的潜力，以及由此产生的社会效益。这些研究的一个关键方面是将两种主要类型的导电(离子导电和电子导电)结合在一个单一系统中，以创造新的、有效的材料。来自康奈尔大学、芝加哥大学和华盛顿大学的学生将被提供一个激励和建设性的环境，在这个环境中，他们接触到包括理论和计算、合成、组装和表征在内的全面材料设计周期的关键要素。该项目的重点还提供了一个独特的背景和机会，用简洁而有力的信息向学生传达科学和工程的重要性。在这项活动下开发的材料设计和图案识别软件以及用户手册将通过专门的项目网站和co-Pi Ecobedo的网站免费提供。技术描述：这项研究包括以下内容：(I)共轭棒状带电线圈嵌段共聚物和双亲分子的自组装行为的建模，(Ii)具有受控结构和行为的棒状线圈聚合物的设计和合成，(Iii)用于电荷传输的它们的组装和表征，以及(Iv)评估原型器件的性能。为了实现协同建模-实验互动，这项研究将涉及两个周期的迭代。第一个周期需要使用基于模型的形态预测来指导选择用于合成和加工的新聚合物。第二个周期需要表征导电性和构建器件原型，提供指导新模型开发的数据。然后计算活动是介观建模和原子建模的组合。这项研究不仅将揭示基本的物理问题，还将通过建模和实验相结合的方式带来新的应用，这些应用将允许对特征尺寸、化学和电荷密度进行精确的操纵。

NON-TECHNICAL DESCRIPTION: The target materials and devices offer the potential to address and improve needs ranging from the harvesting and storage of energy to sensing and detection with their resulting societal benefits. A key aspect of these studies is the combination in a single system of both major types of conductivity (ionic and electronic conduction) to create new, effective materials. Students from Cornell University, the University of Chicago and the University of Washington working together in this research will be provided with a stimulating and constructive environment in which they are exposed to key elements of a comprehensive materials design cycle comprising theory and computation, synthesis, assembly and characterization. The focus of the project also provides a unique context and an opportunity to convey the importance of science and engineering to students in succinctly simple, yet powerful messages. The materials design and pattern recognition software and the user manuals developed under this activity, will be made freely available through a dedicated project web site, and through co-PI Escobedo's web site.TECHNICAL DESCRIPTION: This research entails the following: (i) modeling of the self-assembly behavior of conjugated rod-charged coil block copolymers and bolaamphiphiles, (ii) design and synthesis of rod-coil polymers with controlled architecture and behavior, (iii) their assembly and characterization for charge transport, and (iv) assessing the performance of prototype devices. To enable synergistic modeling-experimental interactions, the research will involve the iteration of two cycles. The first cycle entails the use of model-based morphological predictions to guide the selection of new polymers for synthesis and processing. The second cycle entails characterization of conductivity and construction of device prototypes, providing data that will guide the development of new models. The computational activities are then a combination of mesoscopic and atomistic modeling. The research is envisioned to not only shed light into fundamental physical questions, but also lead to new applications through a combination of modeling and experiments that will allow exquisitely precise manipulation of characteristic dimensions, chemistry, and charge density.