电场诱导调控共轭高分子薄膜形貌机理研究

项目名称： 电场诱导调控共轭高分子薄膜形貌机理研究

项目编号： No.21204087

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 高分子科学

项目作者： 王世伟

作者单位： 中国科学院长春应用化学研究所

项目金额： 25万元

中文摘要： 本项目旨在探索电场诱导作用下，共轭高分子在薄膜中形貌调控的机理及动力学过程。在已有的前期研究工作基础上，以P3HT及几种典型的窄带隙共轭聚合物为研究对象，通过光谱学、形貌学等表征手段, 探索共轭聚合物分子结构、电场强度、作用时间、温度、溶剂等条件与共轭聚合物在薄膜中结晶、取向及形貌调控之间的关系，揭示其内在规律；以分子轨道理论和密度泛函理论为研究方法，建立共轭高分子在外电场下的作用模型，研究共轭高分子在电场效应下的响应机理及动力学过程，以用于指导电场诱导方法精确调控有机聚合物太阳电池光敏层形貌，在薄膜中构建具有优化结构的相分离形态，提高光伏器件的性能。电场诱导方法操作简单、无污染、易于控制，用该方法调控共轭高分子薄膜形貌的研究，不仅对制备高性能聚合物光伏电池有着广阔的应用前景，同时对有机薄膜晶体管，高分子形态学研究等领域都有着广泛的应用前景和重要的研究意义。

中文关键词： 电场诱导；共轭高分子；薄膜；形貌；结晶

英文摘要： The purpose of this proposal is to study the mechanism and dynamic processes of the morphology control of conjugated polymers under electric field. Based on the preliminary studies, P3HT and several typical low-band-gap conjugated polymers (CPs) will be the object of this study, characterization methods including spectroscopy and topography measure will be utilized to explore the effect of many factors (such as crystallization, orientation, morphology control, etc.) on the molecular structure in conjugated polymer, electric-field strength, operation time, temperature, solvent and other conditions will be studied, in order to obtain the relationship between both of them and reveal the internal rules. Density functional theory and molecular simulation methods will be exploited as research methods to establish the interaction model of conjugated polymer under electric field, in order to reveal the response mechanism and dynamic processes of conjugated polymer under electric-field, which can be used for the photosensitive layer morphological control in polymer solar cells. The accurate creation of phase separation morphology with optimized structure in photosensitive layer film will significantly improve the performance of the resultant photovoltaic device. Electric-field-induced method is very easy to operate, poll

英文关键词： electric field induced；conjugated polymer；thin film；morphology；crystalization