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二嵌段共聚物，并对分子/材料结构与光伏（PV）功能之间的关系有一个基本的了解。对棒状-棒状、棒状半棒状和棒状-线圈状三种具有代表性的新型二嵌段共聚物体系的合成提出了新的模块化方法。计划概述，以阐明和控制自组装和相行为的所得材料。将研究电荷分离和电荷输运的动力学，以深入了解这些材料中的电子过程。为了指导这些材料的界面组装和优化电荷注入，提出了合理修饰ITO表面的方法。所得材料将用于在明确的电池平台中制备原型太阳能电池，以进行详细表征。这些研究的反馈将揭示光伏材料的限制因素，并指导新材料的开发。这些基础研究最终将在开发新型和具有成本效益的OPV材料方面取得突破，从而实现高太阳能转换效率以及未来的商业活力。提出的活动的智力价值：这项提出的新型功能二嵌段共聚物的合成和表征研究将对我们对有机材料中电荷分离和传输的理解产生根本性的影响。分子结构与固体组装之间的关系，以及固体结构/物理性质之间的关系，对高分子科学和材料科学至关重要。一个明确的分子体系将导致明确的固体结构的形成，这对有机光收集材料的研究是非常宝贵的。提出的工作是新功能引入到二嵌段共聚物体系结构的一个重要例子。本文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：我国目前正面临着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，具有大面积和柔性结构的可能性，并且易于对带隙进行微调的结构修改。所提出的研究对我国的经济和社会有很大的好处。提议的努力将为有机/聚合物/材料化学前沿的研究生和本科生提供充足的跨学科培训机会。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已得到广泛认可。在这个项目中，我们将努力招收更多的本科生。这个项目非常适合培养研究生，使他们能够进行原创和独立的研究。从这些高智力的过程中，他们将发展创造性思维和技能，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.