Morphology and Mobility Control for Functional Robust Flexible Electronics and Photovoltaics

摘要：Elsa Reichmanis和Martha Grover研究所：佐治亚理工学院研究公司建议编号：1264555标题：用于功能强大的柔性电子和光伏的形态和迁移率控制本研究计划的目标是了解和预测适用于柔性电子、光伏和传感器的共轭聚合物材料的形态。这项研究的结果将使设计和优化坚固的材料化学和所需的、相关的大面积、大规模器件制造工艺配方成为可能。为了在柔性设备和经济的卷对卷高通量印刷中利用有机电子的独特能力，高电荷载流子迁移率是先决条件。然而，迁移率高度依赖于作为器件有源层的半导体薄膜的最终形态。有机半导体显示出晶态有序的磁区和非晶区，每种磁区中有序的大小和程度都会影响分子的堆积和随后的电子行为。随着薄膜的沉积和加工，所有区域的形貌都会发生变化。智能优点：基于聚合物的有机电子中的半导体形态对给定材料的化学高度敏感，包括单体选择、聚合物相对分子质量和区域规律性、溶剂和衬底。随时间变化的工艺历史也影响所得到的形貌，包括温度、蒸发速率和加工方法的选择。了解化学和加工对活性层形态的影响是非常有限的，主要是乏味的观察方法。对于共轭半导体链如何相互作用、缔合和排列以形成对电荷载流子传输至关重要的相互连接的纳米晶结构，缺乏连贯的理解，而且存在太多的设计变量，无法用纯粹的经验方法有效地探索这一巨大的设计空间。在这个研究项目中，PI将基于两个特定的化学体系，重点研究三种不同的处理模式，进行协同实验和模型研究。聚(3-己基噻吩基)(P3HT)是迄今为止最具特征性的材料，将被用来帮助最初的建模工作。然后，他们将在研究结果的基础上，将研究扩展到有前景的替代高迁移率系统，例如最近在德国实验室设计和开发的聚(苯并噻唑-己噻吩基)(PBT6)。实验和形态建模的紧密结合是独一无二的，将使人们能够从机械上理解形态演变的动力学，这将进一步使合理设计稳健的有机电子制造方法成为可能。更广泛的影响：从太阳能到生物传感器再到食品安全监测，廉价的无处不在的电子产品可能会改变世界。参与佐治亚州有机光子学和电子学技术中心(COPE)的PIS将通过与COPE工业伙伴的互动，扩大这项研究的影响。PIS将通过实习和定期的研究讨论，探索让研究生直接接触有机电子工业研究的机会。研究生还将受益于(作为IGERT附属机构)参加NSF IGERT关于用于能量存储和转换的纳米结构材料项目的课程，Reichmanis是该项目的PI，Grover是主要负责人。作为这一项目的一部分，PI和共同PI将启动一个新的项目，旨在教育女性研究生有关教师职位的途径。

ABSTRACTPIs: Elsa Reichmanis and Martha GroverInstitution: Georgia Tech Research CorporationProposal Number: 1264555Title: Morphology and Mobility Control for Functional Robust Flexible Electronics and Photovoltaics The goal of this research program is to understand and predict the morphology of conjugated polymer materials applicable to flexible electronics, photovoltaics and sensors. The results of this research will enable the design and optimization of robust materials chemistries and the required, associated large-area, large-scale device fabrication process recipes. To exploit the unique capabilities of organic electronics in flexible devices and economical roll-to-roll high throughput printing, high charge carrier mobility is a prerequisite. However, mobility is highly dependent on the final morphology of the thin semiconducting film that serves as the device active layer. Organic semiconductors exhibit domains of crystalline-like order interspersed with amorphous regions, and the size and extent of order within each type of domain influences the molecular packing and subsequent electronic behavior. The morphology in all regions evolves as the film is deposited and processed. Intellectual Merit: Semiconductor morphology in polymer based organic electronics is highly sensitive to the chemistry of a given material, including monomer selection, polymer molecular weight and regioregularity, the solvent, and the substrate. The time-varying process history also impacts the resulting morphology, including temperature, evaporation rate, and the choice of processing method. Understanding the impact of chemistry and processing on the active layer morphology is very limited and is dominated by tedious, observational approaches. A coherent understanding of how π-conjugated semiconductor chains interact, associate and align to form the inter-connected nanocrystallite structures that are essential for charge carrier transport is lacking, and there are far too many design variables to effectively explore this vast design space using a purely empirical approach. In this research program, the PIs will do a synergistic experimental and modeling study based on two specific chemical systems and focusing on three distinct processing modes. Poly(3-hexylthiophene) (P3HT) is the most characterized material to date, and will be used to aid in the initial model-building efforts. They will then build upon the results and extend the studies to promising alternative high mobility systems, such as poly(benzothiazole-sexithiophene) (PBT6), recently designed and developed in the Reichmanis lab. The close coupling of experiments and morphology modeling is unique and will enable a mechanistic understanding of the dynamics of morphology evolution, which will further enable the rational design of robust, organic electronics manufacturing methodologies. Broader Impact: Cheap ubiquitous electronics could transform the world, from solar energy to biosensors to food safety monitoring. The PIs participation in the Georgia Tech Center for Organic Photonics and Electronics (COPE) will amplify the impact of this research, through interactions with COPE industrial associates. The PIs will explore opportunities to directly expose graduate students to industrial research in organic electronics through internships as well as regular research discussions. The graduate students will also benefit from participation (as IGERT affiliates) in the curriculum of the NSF IGERT program on Nanostructured Materials for Energy Storage and Conversion, for which Reichmanis is the PI, and Grover is a thrust leader. As part of this program, the PI and co-PI will initiate a new program aimed at educating female graduate students about paths to faculty positions.