2种具有吸光特性的有机小分子空穴传输材料的合成及其光伏应用  

Synthesis and Photovoltaic Application of Two Organic Small Molecules as Hole Transport Materials with Light-Absorbing Properties

作　　者：裴娟[1,2] 王馨卉[1] 吕海军 王婷婷[3] PEI Juan;WANG Xin-Hui;LYU Hai-Jun;WANG Ting-Ting(School of Science,Hebei University of Science and Technology,Shijiazhuang 050018,China;Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education),Nankai University,Tianjin 300071,China;School of Chemical and Pharmaceutical Engineering,Hebei University of Science and Technology,Shijiazhuang 050018,China)

机构地区：[1]河北科技大学理学院,石家庄050018 [2]南开大学先进能源材料化学教育部重点实验室,天津300071 [3]河北科技大学化学与制药工程学院,石家庄050018

出　　处：《应用化学》2024年第11期1572-1584,共13页Chinese Journal of Applied Chemistry

基　　金：国家自然科学基金(No.21603053);河北省自然科学基金(Nos.B2014208066,B2022208001)资助。

摘　　要：具有吸光能力的电子给体是有机/无机杂化太阳能电池中的重要组成部分。有机小分子空穴传输材料具有化学结构明确、结构调整和能级可控以及合成简单易纯化等优点,正逐步成为光电领域的研究热点。本文设计合成了2种以苯并噻二唑为电子受体、不同长度的共轭π桥、取代三苯胺基团为电子供体的有机小分子空穴传输材料H1和H3。借助密度泛函理论研究分子的空间构型和电子分布情况,对材料的光物理和电化学性质进行表征,并将它们作为电子给体应用在杂化太阳能电池中,研究其光伏特性。实验结果表明,2个分子内均存在着明显的分子内电荷转移现象,印证了分子的给体-受体-给体(D-A-D)线性构型。这2种材料在紫外-可见光区域均有宽且强的光学响应,并且具有较高的空穴迁移率和电导率。分子的能级位置合适,能够实现在杂化太阳能电池中各材料之间的电荷传输。基于小分子空穴传输材料H1和H3的杂化太阳能电池的光电转换效率分别为5.60%和3.89%。其中,H1分子具有最高的空穴迁移率和电导率,并且可以和TiO2层形成良好的异质结,因此相应电池器件的电荷复合显著降低,电池效率优于常用的共轭聚合物空穴传输材料P3HT(PCE:5.19%)。Electron donors with light absorption ability are important components in organic/inorganic hybrid solar cells.Organic small molecule hole transport materials are gradually becoming a research hotspot in the field of optoelectronics due to their advantages of clear chemical structure,adjustable structure and energy level,as well as simple synthesis and easy purification properties.In this work,two kinds of organic small molecule hole transport materials H1 and H3 were designed and synthesized with benzothiadizole as electron acceptor,conjugatedπbridge of different lengths and substituted triphenylamine group as electron donor.The spatial configuration and electron cloud distribution were studied by density functional theory,the photophysical and electrochemical properties were characterized,and they were applied as electron donors in hybrid solar cells to study their photovoltaic characteristics.The experimental results showed that there are obvious intramolecular charge transfer phenomena in both molecules,which confirmed their D-A-D linear configuration.Both materials have a wide and strong optical response in the UV-visible region,and high hole mobility and conductivity.The energy levels of the molecules are in a suitable position to achieve efficient charge transfer between materials in hybrid solar cells.The photoelectric conversion efficiency(PCE)of hybrid solar cells based on H1 and H3 were 5.60%and 3.89%,respectively.Among them,H1 molecule has the highest hole mobility and conductivity values,and could form better heterojunction with TiO2 layer,so the charge recombination of the corresponding cell device was significantly reduced,and the cell efficiency was better than the commonly used conjugated polymer hole transport material P3HT(PCE:5.19%).

关 键 词：杂化太阳能电池 空穴传输材料 给体-受体-给体 空穴迁移率 电荷复合 光电转换效率 

分 类 号：O649[理学—物理化学]