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解决和改善从能量收集和存储到传感和检测等需求的潜力，并带来了社会效益。这些研究的一个关键方面是将两种主要类型的电导率（离子传导和电子传导）结合在一个单一系统中，以创造新的有效材料。来自康奈尔大学、芝加哥大学和华盛顿大学的学生将共同参与这项研究，他们将获得一个激励和建设性的环境，在这个环境中，他们将接触到包括理论和计算、合成、组装和表征在内的综合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，以简洁而有力的信息向学生传达科学和工程的重要性。根据这项活动开发的材料、设计和模式识别软件以及用户手册将通过一个专门的项目网站和co-PI Escobedo网站免费提供。技术描述：本研究包括以下内容：(i)对共轭棒带电荷线圈嵌段共聚物和亲bolaamphi亲分子的自组装行为进行建模，（ii）设计和合成具有可控结构和行为的棒带线圈聚合物，（iii）它们的组装和电荷传输表征，以及（iv）评估原型设备的性能。为了实现模型与实验的协同作用，研究将涉及两个循环的迭代。第一个周期需要使用基于模型的形态预测来指导合成和加工新聚合物的选择。第二个周期需要表征电导率和设备原型的构建，提供指导新模型开发的数据。计算活动是介观和原子模型的结合。这项研究不仅能阐明基本的物理问题，而且还能通过建模和实验的结合带来新的应用，这将允许对特征尺寸、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.