基于多维芳酰亚胺非富勒烯受体的有机太阳能电池材料与器件

The proposed research focuses on developing none-fullerene small molecular acceptors for higher efficiency and better stability. New materials design based on perylene diimide unit will be executed to build target materials with new structure, new topology and new functionality to fine tune crystallization and aggregation behaviors in pure film and blends. Meanwhile, the correlation between molecular structure and UV-vis absorption, frontier energy level, electron mobility, dielectric constant, and ionization potential will be investigated. Emphasis will be laid on the strategy of new perylene diimide based acceptor design, to enhance electron mobility, to match with state-of-the-art donor polymers, and to form high quality bicontinuous network morphology. Structural details of phase separation, crystallization, phase purity etc, and their impact on the photovoltaic performance will be investigated. The ultimate goal of the proposed to research is to push the photon-electron conversion efficiency to a new level higher than 15%, to develop original, high-level research results with independent intellectual property rights, and breaking up the threshold of none-fullerene acceptor materials in thin film solar cells.

本项目计划以突破富勒烯受体效率瓶颈和提高稳定性为目标，立足于具有鲜明特色的芳酰亚胺功能分子体系，精细调控非富勒烯受体功能分子的拓扑结构、聚集态结构和结晶性，同时研究分子结构与吸收光谱、电子能级、电子迁移率、介电常数和离子束缚能.重点发展基于芳酰亚胺的高效非富勒烯受体设计策略，有效提升电子迁移率，选择与之匹配的高分子給体材料，实现有机电子给/受体纳米尺度相分离的互传网络结构，研究有机电子受体/給体相态结构匹配及其对光伏性能的影响规律。最终实现光电转换效率的突破（>15%），形成具有原创性、高水平及拥有自主知识产权的研究成果，实现我国在非富勒烯受体材料的研究和应用的重大突破。

在项目的资助下，团队聚焦高效非富勒烯电子受体的有机太阳能电池材料与器件，取得了如下进展：（1）获得了一系列性能优异的多维芳酰亚胺电子受体材料，包括从三维刚性扭曲芳酰亚胺、三萘嵌苯酰亚胺电子受体以及富勒烯-芳酰亚胺杂化电子受体材料等；揭示了芳酰亚胺作为高效电子受体材料的结构-性能关系，实现了基于芳酰亚胺类非富勒烯太阳能电池11.2%的最高能量转化效率；（2）获得了一系列高效非稠环电子受体材料，其能量转化效率达到15.44%；通过绿色溶剂加工策略，揭示了三元共聚聚合物材料单节光伏电池中超过18%的能量转化效率，为获得高效、绿色电池提供了新思路；（3）通过引入了结晶调控因子构建新的形貌调控方法论描述了薄膜结晶与相分离竞争耦合的形貌调控机制；系统探究了聚合物与非富勒烯小分子在有机薄膜光伏器件活性层的结晶形貌调控方法，建立了薄膜形貌与器件性能的构效关系，获得了器件效率的巨大突破（单节光伏电池能量转化效率超过19%）。在项目的支持下，团队成员共发表能源材料领域高影响力论文78篇，包含Acc. Chem. Res. 1篇、Nat. Energy 1篇、Nat. Mater. 1篇、Nat. Commun. 3篇、J. Am. Chem. Soc. 2篇、Angew. Chem. Int. Ed. 4篇、CCS Chem. 2篇、Adv. Mater. 7篇、Adv. Funct. Mater. 6篇、Adv. Sci. 2篇、Adv. Energy Mater. 4篇、Sci. China Chem. 5篇等；授权专利2项；培养博士研究生17名，硕士研究生2名；参加本领域国际学术会议并作邀请报告10余次。