基于Alq3的新型非富勒烯有机电子受体的设计、合成与光伏性能研究

项目名称： 基于Alq3的新型非富勒烯有机电子受体的设计、合成与光伏性能研究

项目编号： No.21474088

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 施敏敏

作者单位： 浙江大学

项目金额： 88万元

中文摘要： 目前，高效率的有机太阳电池都采用富勒烯及其衍生物作为电子受体，但富勒烯也存在明显的缺点，如对太阳光的吸收很弱、能级结构难以大幅度调控，特别是纯化过程繁琐费时，导致成本高昂。为此，本项目拟以非平面分子结构的三（8-羟基喹啉）铝（Alq3）为母体来设计合成新型有机电子受体，结合理论计算模拟，通过在分子的合适位置引入恰当的可溶性基团和吸电子基团，来改善其在有机溶剂中的溶解性以及实现与给体材料相匹配的能级结构，并获得类似于富勒烯的空间立体结构。本项目将重点研究Alq3类受体的化学结构和空间结构对其聚集态结构、在光活性层中相分离乃至各向同性电子传输性能的作用机制，初步探明电子受体性能与分子结构、聚集态结构以及加工工艺间的内在联系，掌握有效调控手段，并与优选的电子给体共混，力争获得能量转换效率大于5%的原型有机太阳电池，从而为人们设计替代富勒烯的高性能受体提供参考和借鉴。

中文关键词： 有机太阳电池；非富勒烯有机电子受体；三（8-羟基喹啉）铝；能级结构；几何结构

英文摘要： At present, all high-efficiency organic solar cells (OSCs) adopt fullerenes or their derivatives as the electron acceptors. However, fullerenes have a few disadvantages, such as weak absorption in the visible region, difficulty in the tuning of their energy levels, and high-cost production and purification.Therefore, in this proposal, we will design and synthesize new organic electron acceptors taking non-planar tris-(8-hydroxyquinoline) aluminum (Alq3) as the parent compound. Based on the simulation by theoretical calculations, appropriate soluble and electron-withdrawing groups will be introduced in the specific positions of Alq3, to improve the solubility of Alq3 in organic solvents and achieve energy levels matching those of electron donors, in the same time, similar geometric shape as fullerenes. We will study the effects of the chemical structures and spatial configurations of Alq3 acceptors on their aggregate structures, phase seperations in the photo-active layer, and isotropic elctron transport,furthermore, discolse the molecular structure-aggregate structure-processing conditions-properties relationships, and master some effective methods. At last, blending Alq3 acceptor with the selected donor, we will try our best to improve the power conversion efficiency (PCE) of the Alq3-based OSCs to more than 5%. The results will provide valuable references for the exploration of fullerene alternatives.

英文关键词： Organic solar cells;Non-fullerenes organic electron acceptors;Alq3;Energy levels;Geometric structures