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
基本信息
- 批准号:1533954
- 负责人:
- 金额:$ 35.95万
- 依托单位:
- 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:
- 关键词:
项目摘要
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.
有机半导体在便携式、大面积或无处不在的电子产品中有许多应用。它们在生物电子学中作为传感器或换能器中的活性材料也具有巨大的潜力。所有这些器件都是通过传输电荷来工作的;因此,寻找具有大电荷迁移率的材料是有机电子学领域的主要目标。然而,对高迁移率有机半导体的研究在很大程度上仍然是以爱迪生的哲学进行的。拟议活动的主要目标是制定一套合理的设计原则,用于制造高迁移率共轭均聚物和共聚物,这将影响有机半导体的所有应用,从太阳能电池到发光二极管和晶体管。来自理论的见解将用于设计和合成分子,这些分子将使用X射线衍射进行结构表征和光谱学测量电荷离域进行实验分析。 这些属性将与材料的载流能力相关。最终目标是将分子结构的特定特征和组装体内分子的短程排列与载流子迁移率联系起来。所开发的理论和实验方法可以简化对高迁移率聚合物的研究,并为下一代高性能有机电子器件铺平道路。技术概述功能材料的合理设计将基于一种理论模型,该模型考虑了电荷传输、核-电子耦合以及适合于混合或分离π-堆的二维晶格内的对角和非对角无序的各种表现。从理论推导出的设计原则将在几个模型的供体-受体共聚物,其中链内扭转无序和/或HOMO能量交替仔细控制进行测试。结构/性能的关系将进行评估的高性能共聚物的基础上的引达省二噻吩结构基序使用不同的吸电子强度的受体。薄的聚合物薄膜的微观结构表征将使用掠入射X射线衍射(GIXD)完成,和电荷离域将使用电荷调制光谱(CMS)的定向样品进行探测,以获得极化分辨率。拟议的活动将为有机电子界提供一种方法,以实验和理论上快速评估材料,用于设计高性能有机半导体。它也将提供第一个测量的极化子的相干长度共轭聚合物使用稳态红外吸收光谱。的相干长度将被链接到新的共轭聚合物的设计和它们的短程形态,从而提供了根本的见解是什么管理离域和捕获共轭聚合物薄膜。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Francis Spano其他文献
Francis Spano的其他文献
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{{ truncateString('Francis Spano', 18)}}的其他基金
Understanding Excimers in Molecular J- and H-aggregates: A Holstein-Peierls Approach
了解分子 J 和 H 聚集体中的准分子:荷斯坦-佩尔斯方法
- 批准号:
2221923 - 财政年份:2023
- 资助金额:
$ 35.95万 - 项目类别:
Standard Grant
Modeling Molecular Aggregate Photophysics in Free Space and in Optical Microcavities
模拟自由空间和光学微腔中的分子聚集体光物理
- 批准号:
1810838 - 财政年份:2018
- 资助金额:
$ 35.95万 - 项目类别:
Standard Grant
SusChEM - Collaborative Research: Universal Understanding of Push-Pull D-A compounds and Prescriptive Materials Design for Optimized Bulk-Heterojunction Photovoltaics
SusChEM - 合作研究:推挽 D-A 化合物的普遍理解和优化体异质结光伏的规范材料设计
- 批准号:
1603461 - 财政年份:2016
- 资助金额:
$ 35.95万 - 项目类别:
Standard Grant
Excitonic Coupling in Molecular and Polymeric Aggregates: Beyond Conventional J- and H-aggregation
分子和聚合物聚集体中的激子耦合:超越传统的 J 和 H 聚集
- 批准号:
1505437 - 财政年份:2015
- 资助金额:
$ 35.95万 - 项目类别:
Continuing Grant
Modeling the Optical Properties of Conjugated Polymer Assemblies: Interchain Vs. Intrachain Interactions
共轭聚合物组装体光学性质的建模:链间与链间的比较
- 批准号:
1203811 - 财政年份:2012
- 资助金额:
$ 35.95万 - 项目类别:
Continuing Grant
Using Circularly Polarized Light to Probe Electronic Excitations in Organic Supramolecular Assemblies
使用圆偏振光探测有机超分子组装体中的电子激发
- 批准号:
0906464 - 财政年份:2009
- 资助金额:
$ 35.95万 - 项目类别:
Standard Grant
Optical Excitations in Supramolecular Assemblies of Conjugated Oligomers and Polymers
共轭低聚物和聚合物超分子组装体中的光激发
- 批准号:
0606028 - 财政年份:2006
- 资助金额:
$ 35.95万 - 项目类别:
Continuing Grant
Optical Excitations in Aggregates, Films and Crystals of Conjugated Oligomers and Polymers
共轭低聚物和聚合物的聚集体、薄膜和晶体中的光激发
- 批准号:
0305173 - 财政年份:2003
- 资助金额:
$ 35.95万 - 项目类别:
Standard Grant
Optical Excitations in Conjugated Oligomer and Polymer Aggregates: A Computational Approach
共轭低聚物和聚合物聚集体中的光激发:一种计算方法
- 批准号:
0071802 - 财政年份:2000
- 资助金额:
$ 35.95万 - 项目类别:
Continuing Grant
Theory of the Nonlinear Optical Response in One-dimensional Systems: Charge vs. Energy Transfer
一维系统中的非线性光学响应理论:电荷与能量转移
- 批准号:
9312029 - 财政年份:1994
- 资助金额:
$ 35.95万 - 项目类别:
Continuing Grant
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