Syntheses, Solid State Assemblies and Photovoltaic Effects of Conjugated Diblock Copolymers

该研究的中心主题是探索用于太阳能收集的共轭双嵌段共聚物，并从根本上了解分子/材料结构与光伏(PV)功能之间的关系。提出了三种具有代表性的新型两嵌段共聚物体系--棒状-棒状、棒状半棒状和棒状-盘状两嵌段共聚物的模块化合成方法。概述了阐明和控制所得材料的自组装和相行为的计划。将研究电荷分离和电荷传输的动力学，以深入了解材料中的电子过程。为了指导这些材料的界面组装和优化电荷注入，提出了合理的ITO表面修饰方法。所得到的材料将用于在定义良好的电池平台上制备太阳能电池原型，以进行详细的表征。这些研究的反馈将揭示光伏材料中的限制因素，并指导新材料的开发。这些基础研究将最终导致在开发新型和低成本的OPV材料方面取得突破，使其能够实现高太阳能转换效率和未来的商业活力。这项活动的智力价值：这项关于新型功能嵌段共聚物的合成和表征的研究将对我们理解有机材料中的电荷分离和传输产生根本性的影响。分子结构与固体组装之间的关系，进而固体结构/物理性质之间的关系，对聚合物科学和材料科学都是至关重要的。一个明确的分子体系将导致形成明确的固体结构，这对于有机捕光材料的研究是非常有价值的。这项工作是两嵌段共聚物结构中引入新功能的一个重要例子。这里提出的模块化合成方法将为合成武器库增加新的知识。拟议活动的更广泛影响：我国目前正面临对可再生能源的迫切需求。太阳能是最大的可再生能源。塑料太阳能电池在材料和加工方面具有潜在的低成本，可以实现大面积和灵活的结构，并且易于进行结构修改以微调带隙。建议的研究对我们的经济和社会都有很大的好处。拟议的努力将为有机/聚合物/材料化学前沿的研究生和本科生的跨学科培训提供充足的机会。我们计划将拟议的研究活动与针对大学本科生和研究生的广泛教育计划相结合。本科生早期参与研究活动的重要性得到了广泛的认可。在这个项目中，我们将努力招收更多的本科生。该项目非常适合培养研究生，并使他们能够进行原创和独立的研究。从这些高度智能化的过程中，他们将发展创造性的思维和技能，成为成熟的科学家。

The central theme of the proposed research is to explore conjugated diblock copolymersfor solar energy harvesting and to gain a fundamental understanding of the correlation betweenmolecular/material structures and photovoltaic (PV) functions. New modular approaches areproposed to the syntheses of three representative new diblock copolymer systems, rod-rod, rodsemi-rod and rod-coil diblock copolymers. Plans are outlined to elucidate and control the selfassembly and phase behaviors of the resulting materials. The dynamics of charge separation andcharge transport will be investigated to gain insight into the electronic processes in thesematerials. Rational approach to modify the ITO surface is proposed in order to direct theinterfacial assembly of these materials and optimize the charge injection. The resulting materialswill be used to prepare prototype solar cells in a well defined cell platform for detailedcharacterization. The feedback from these studies will reveal the limiting factors in photovoltaicmaterials and guide the development of new materials. These fundamental studies willeventually lead to breakthrough in developing novel and cost-effective OPV materials enablinghigh solar energy conversion efficiency as well as future commercial vitality. The intellectual merit of the proposed activity: This proposed research in synthesesand characterization of novel functional diblock copolymers will have a fundamental impact onour understanding in charge separation and transport in organic materials. The relationshipbetween molecular structure and solid assembly, further between solid structure/physicalproperties is fundamentally important to polymer science and material science. A well-definedmolecular system will lead to the formation of defined solid structures, which is invaluable to thestudies in organic light harvesting materials. The proposed work is an important example of newfunctions that are introduced into diblock copolymer architectures. The modular syntheticapproaches proposed here will add new knowledge to the synthetic arsenal. The broader impacts of the proposed activity: Our nation is currently facing an urgentneed for renewable energy source. Solar energy is the largest renewable energy source. Plasticsolar cells offer potentially low costs in materials and processing, the possibility for large areaand flexible structures, and the ease of the structural modification for the fine-tuning of bandgaps. The proposed research is highly beneficial towards our economy and society. Theproposed efforts will inherently provide ample opportunities for the interdisciplinary training ofgraduate and undergraduate students at the frontiers of organic/polymer/material chemistry. Weplan to integrate the proposed research activities with a broad-ranging educational programaimed at college undergraduate and graduate students. The importance of early involvement ofundergraduate students in research activities is widely acknowledged. In this program, we willput a great effort in recruiting more undergraduate students. This project is ideal for traininggraduate students and enables them to perform original and independent research. From thesehighly intellectual processes, they will develop creative thinking and skills and become maturescientists.