新型给受体共轭聚合物半导体材料的设计、绿色合成与光电性能研究

项目名称： 新型给受体共轭聚合物半导体材料的设计、绿色合成与光电性能研究

项目编号： No.21472195

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 无机化学

项目作者： 顾春玲

作者单位： 中国科学院化学研究所

项目金额： 85万元

中文摘要： 有机光电器件发展，对聚合物性能和合成提出了更高的要求。如何提高聚合物的光电性能、优化合成路线、简化生产工艺、降低生产成本、促进规模化生产，降低合成过程对环境的污染，是一个具有挑战性的课题。在本项目中，我们拟通过将分子设计、合成方法与光电性能表征相结合，发展高性能给受体聚合物的绿色合成方法。通过双受体的引入，设计新型的给受体聚合物[D-A-(D)x-A]n；利用杂原子相互作用与侧链，增加分子共轭平面性与薄膜态分子间pi-pi堆积；利用C-H活化反应合成单体与聚合物（直接芳基化聚合），缩短反应步骤，避免有毒副产物的产生，丰富给受体聚合物的数量、种类。通过底物设计，催化剂、配体、溶剂体系、添加剂、反应温度、时间筛选，优化聚合反应的条件，提高反应的区域选择性，聚合物的聚合度与纯度。揭示聚合分子结构与光电性能（载流子迁移率、光电转换效率）之间的关系，为高性能给受体聚合物的设计提供指导与借鉴。

中文关键词： 有机光电材料；设计合成；构效关系；给受体共轭聚合物；直接芳基化聚合

英文摘要： The development of organic opto-electronic devices required polymers with higher performance and facility synthesis . The critical challenges are the design of the right polymer molecules, optimization of the synthetic paths, simplification the manufacturing processes, reduce the cost, promoting the scale-up produce, mitigating the environmental pollution. In this project, we will develop green synthesis paths to high performance low bandgap donor-acceptor(D-A) conjugated polymers via comprehensively study on molecular design, synthesis method and opto-electronic device charaterization. We will design new polymers with different donor units in the conjugated backbone, while heteroatoms and alkyl functionalization enchance the molecular coplanarity and the intermolecular solid-state pi-pi stacking. In order to cut the synthesis steps, avoid the formation of toxic byproducts, enrich the number and types of polymers, we will synthesize monors and polymers via C-H activation reactions(direct arylation polymeriztion). The direct arylation polymerization will be optimized to increasing the regioselectivity, as well as the degree of polymerization and product purities by proper substrate design and reaction conditions screening, such as catalysts, ligands, solvent, additive, temperature and time. Research on the performance-structure relationship(such as carrier mobility and PCE) as well as the solid-state microstructure，morphology, in order to guide the design of high performance D-A conjugated polymers.

英文关键词： organic optoelectonic materials;designed syntehsis;structure-performance ralationship;donor-acceptor conjugated polymers;direct aryation polymerization