DMREF - Collaborative Research: Developing design rules for enhancing mobility in conjugated polymers

DMREF - 协作研究：开发增强共轭聚合物迁移率的设计规则

• 批准号: 1533954
• 负责人: Francis Spano
• 金额: $ 35.95万
• 依托单位: Temple University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-08-15 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1533954&HistoricalAwards=false
• 关键词: DMREF; Collaborative; Research; Developing; design

NON-TECHNICAL SUMMARYOrganic semiconductors have many applications in portable, large-area or ubiquitous electronics. They also have great potential in bioelectronics as active materials in sensors or transducers. All such devices work by transporting charges; finding materials with large charge mobilities is therefore a major goal in the field of organic electronics. The search for high-mobility organic semiconductors, however, is still largely conducted with an Edisonian philosophy. The primary goal of the proposed activity is the development of a set of rational design principles for creating high-mobility conjugated homopolymers and copolymers which will impact all applications of organic semiconductors, from solar cells to light-emitting diodes and transistors. Insight derived from theory will be used to design and synthesize molecules that will be analyzed experimentally using X-ray diffraction for structural characterization and optical spectroscopy for measuring charge delocalization. These attributes will be correlated with the ability of the materials to carry current. The ultimate goal is to link specific features of the molecular structure and of the short-range arrangement of molecules within the assembly to carrier mobility. The methods developed, both theoretical and experimental, can potentially streamline the search for high mobility polymers and pave the way for the next generation of high-performance organic-based electronic devices. TECHNICAL SUMMARYRational design of functional materials will be based on a theoretical model that accounts for charge transport, nuclear-electronic coupling, and various manifestations of diagonal and off-diagonal disorder within a two-dimensional lattice appropriate for mixed or segregated pi-stacks. Design principles derived from theory will be tested on several model Donor-Acceptor copolymers in which intrachain torsional disorder and/or HOMO energy alternation is carefully controlled. Structure/property relationships will be evaluated on high-performance copolymers based on the indacenodithiophene structural motif using acceptors with varying electron-withdrawing strengths. Microstructural characterization of thin polymer films will be accomplished using grazing incidence X-ray diffraction (GIXD), and charge delocalization will be probed using charge modulation spectroscopy (CMS) on oriented samples in order to obtain polarization resolution. The proposed activity will provide the organic electronics community with a method to experimentally and theoretically evaluate materials quickly for the design of high-performance organic semiconductors. It will also provide the first measurements of the coherence length of polarons in conjugated polymers using steady-state infra-red absorption spectroscopy. The coherence length will be linked to the design of new conjugated polymers and their short-range morphologies, thereby providing fundamental insights into what governs delocalization and trapping in conjugated polymer films.

非技术摘要半导体在便携式，大区域或无处不在的电子设备中有许多应用。它们在传感器或换能器中的活性材料中也具有巨大的生物电子学潜力。所有此类设备都通过运输费用来工作；因此，寻找具有较大电荷迁移率的材料是有机电子领域的主要目标。但是，寻找高动力有机半导体的搜索仍在很大程度上以爱迪生的哲学进行。提出活动的主要目标是开发一组合理的设计原理，用于创建高弹性共轭均聚物和共聚物，这将影响从太阳能电池到发光二极管和晶体管的有机半导体的所有应用。从理论中得出的洞察力将用于设计和合成分子，这些分子将使用X射线衍射对结构表征和光谱谱进行实验分析，以测量电荷离系数。 这些属性将与材料携带电流的能力相关。最终目标是将分子结构的特定特征和组分中的短距离排列与载体迁移率联系起来。理论和实验性开发的方法都可以潜在地简化寻找高迁移率聚合物的搜索，并为下一代高性能有机的电子设备铺平道路。功能材料的技术摘要设计将基于一个理论模型，该模型解释了电荷运输，核电子耦合以及在适合混合或隔离的PI-stacks的二维晶格中对角线和偏角障碍的各种表现。从理论中得出的设计原理将在几种模型供体 - 受体共聚物上进行测试，其中内部扭转障碍和/或HOMO能量交替被仔细控制。使用具有不同电子吸引力强度的受体，将根据indacenodithiophene结构基序对高性能共聚物的结构/性质关系进行评估。薄聚合物膜的微观结构表征将使用放牧X射线衍射（GIXD）来完成，并将使用方向样品上的电荷调制光谱（CMS）探测电荷分离率，以获得偏振分辨率。拟议的活动将为有机电子社区提供一种实验和理论评估材料以设计高性能有机半导体的方法。它还将使用稳态红外吸收光谱法提供对共轭聚合物中极性的相干长度的首次测量。连贯性的长度将与新的共轭聚合物及其短距离形态的设计有关，从而提供了对结合聚合物膜中脱位和诱捕的基本见解。