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

基本信息

  • 批准号:
    0305173
  • 负责人:
  • 金额:
    $ 24.6万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2003
  • 资助国家:
    美国
  • 起止时间:
    2003-07-01 至 2006-12-31
  • 项目状态:
    已结题

项目摘要

This grant is funded jointly by the Materials Theory Program in the Division of Materials Research and the Theoretical and Computational Chemistry Porgram in the Chemistry Division. The theoretical research focuses on thin films of pi-conjugated polymers and their associated oligomers. These materials are receiving widespread attention as the active components for organic-based field effect transistors and organic light emitting diodes (OLED's). Despite the many experiments designed to reveal the mechanism(s) by which oligomer/polymer films produce light, a fundamental understanding of light emission (and absorption) is far from complete. In this grant a strategy is implemented to theoretically investigate light absorption and emission in oligomer and polymernanoaggregates, films and crystals. The focus will be primarily on oligo-phenylenevinylene (OPVn) and oligo-thiophene (Otn) and their parent polymers. The anaylsis will be based on herringbone aggregates with molecular packing derived from known crystal structures. The Hamiltonian includes intermolecular (excitonic) interactions, linear excition-vibrational coupling with multiple intramolecular modes, and the influence of point and structural defects. The two-particle approximation will be employed to reduce the basis set to a tractable size for numerical analysis without sacrificing accuracy. %%% This grant is funded jointly by the Materials Theory Program in the Division of Materials Research and the Theoretical and Computational Chemistry Program in the Chemistry Division. This fundamental research on the electronic and optical properties of organic materials may lead to a new understanding of polymeric (plastic) optoelectronics and their possible applications as devices. ***
该补助金由材料研究部的材料理论计划和化学部的理论和计算化学计划共同资助。 理论研究的重点是π共轭聚合物及其相关的低聚物的薄膜。 这些材料作为有机场效应晶体管和有机发光二极管(OLED)的有源元件而受到广泛关注。 尽管设计了许多实验来揭示低聚物/聚合物薄膜产生光的机制,但对光发射(和吸收)的基本理解还远远没有完成。 在这项研究中,我们实施了一项策略,从理论上研究低聚物和聚合物纳米聚集体、薄膜和晶体中的光吸收和发射。 重点将主要放在低聚亚苯基亚乙烯基(OPVn)和低聚噻吩(OTN)及其母体聚合物。 分析将基于具有来自已知晶体结构的分子堆积的人字形聚集体。 哈密顿量包括分子间(激子)相互作用,与多个分子内模式的线性激发-振动耦合,以及点和结构缺陷的影响。 两粒子近似将被用来减少基组到一个易于处理的大小,数值分析,而不牺牲精度。 %%% 该补助金由材料研究部的材料理论计划和化学部的理论和计算化学计划共同资助。 对有机材料的电子和光学性质的基础研究可能会导致对聚合物(塑料)光电子学及其作为器件的可能应用的新理解。 ***

项目成果

期刊论文数量(0)
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科研奖励数量(0)
会议论文数量(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:
    $ 24.6万
  • 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:
    $ 24.6万
  • 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:
    $ 24.6万
  • 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:
    $ 24.6万
  • 项目类别:
    Continuing Grant
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
  • 财政年份:
    2015
  • 资助金额:
    $ 24.6万
  • 项目类别:
    Standard 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:
    $ 24.6万
  • 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:
    $ 24.6万
  • 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:
    $ 24.6万
  • 项目类别:
    Continuing 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:
    $ 24.6万
  • 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:
    $ 24.6万
  • 项目类别:
    Continuing Grant

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合作研究:DMREF:用于研究红外光振动激发的有机材料 (MARVEL-IR)
  • 批准号:
    2409552
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    2024
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Fundamental research and application by spectroscopic evaluation of terahertz-band universal excitations of disordered systems
无序系统太赫兹波段普适激发的光谱评价基础研究与应用
  • 批准号:
    23H01139
  • 财政年份:
    2023
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Collaborative Research: DMREF: Organic Materials Architectured for Researching Vibronic Excitations with Light in the Infrared (MARVEL-IR)
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  • 批准号:
    2323667
  • 财政年份:
    2023
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Collaborative Research: DMREF: Organic Materials Architectured for Researching Vibronic Excitations with Light in the Infrared (MARVEL-IR)
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Unconventional Excitations and Information Spreading in Frustrated Quantum Magnets
受挫量子磁体中的非常规激发和信息传播
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    2023
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二十面体准晶中磁性及其基本激发和动力学的澄清
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    23K17672
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    2323665
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International collaboration on topological magnetic structures and excitations in quantum magnets using neutron scattering
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