Construction of Helical Polymeric Co-sensatization Materials for Photovoltaics based on Inverse-Design

该双边合作项目的主要目标是了解用于光致发光的螺旋聚合物共敏化材料，并优化该应用的材料性能。因此，两个合作小组的互补能力，即，德国德国萨尔兰大学物理与理论化学研究所和中国天津大学化学工程与技术学院的合作将对该项目的成功至关重要。具体地说，螺旋骨架的特殊作用，应探讨考虑系统的多样性是如此有限，可以进行详细的研究。此外，通过对简单系统的初步实验和理论研究，应确定和量化对太阳能收集最重要的特性。随后，使用逆设计方法，将从理论上确定具有最佳性能的基于BODIPY的隔离染料在太阳能收集中。最后，这些最佳的候选结构的属性时，连接到螺旋骨架，也与卟啉为基础的分子，将探索实验和理论。

The primary goal of this bilateral collaborative project is to develop an understanding for helical polymeric co-sensatization materials for photovoltaics and to optimize the materials properties for this application. Thereby, the complementary competences of the two collaborating groups, i.e., the Institute of Physical and Theoretical Chemistry, University of Saarland in Germany and the School of Chemical Engineering and Technology, Tianjin University in China, will be of fundamental importance for the success of the project. Specifically, the special role of the helical backbone shall be explored by considering systems for which the diversity is so limited that detailed studies can be carried through. Moreover, through an initial combined experimental and theoretical study on simpler systems, those properties that are most important for the solar-energy harvesting shall be identified and quantified. Subsequently, using an inverse-design approach, isolated dyes based on BODIPY with optimal performances in solar-energy harvesting shall be identified theoretically. Finally, the properties of these optimal candidate structures when attached to the helical backbone, also together with porphyrin-based molecules, shall be explored experimentally and theoretically.