蒽基多环芳烃近红外太阳电池染料

In 2015, the scientists from Japan employed a metal-free organic dye characteristic of a 1.55 eV optical gap to fabricate a dye-sensitized solar cell (DSC), achieving a power conversion efficiency (PCE) of 14.5%. To further enhance the PCE of DSCs, it is necessary to design dyes with lower optical gaps, enabling DSCs to harvest infrared solar photons. This project will focus on a fundamental issue, controlling the excited state of an organic dye, and explore some innovative concepts and novel materials to improve the PCE of DSCs. Guided by the theoretical calculations on ground and excited states, we will perform de novo design and controllably synthesize organic dyes featuring anthracene containing polycyclic aromatic hydrocarbons an-PAHs, with high chemical and optoelectronic purity. These dyes should have a small energy loss for the relaxation of their hot excited states, a long lifetime for their equilibrium excited states. Moreover, we will employ these PAH dyes to fabricate high-efficiency DSCs and also study their interfacial microstructures and physical electronics.

2015年，日本科学家使用光学能隙1.55eV的有机染料，制备出能量转换效率达14.5%的染料敏化太阳电池（DSC）。要想进一步提高DSC的效率，需要设计光学能隙更小的染料，实现对近红外太阳光子的吸收。本项目旨在围绕有机染料激发态控制——这一基础科学问题，探索提高DSC能量转换效率的新思路和新材料。我们将以基态和激发态的理论计算为指导，从头设计、可控合成具有高化学、光电纯度的蒽基多环芳烃有机染料。所制备的窄能隙蒽基多环芳烃染料将具有热激发态能量弛豫小、平衡激发态寿命长的特征。我们还将使用蒽基多环芳烃染料制备高效器件，并开展界面微结构和物理电子的研究。

以密度泛函理论计算为基础，设计并制备出系列具有自主知识产权、能隙递变的蒽基共轭多环染料，在激发态控制、界面电荷复合控制、高性能彩色染料敏化太阳电池的研究方面取得重大突破。在蓝色、绿色染料敏化太阳电池方面：开拓了蒽基共轭多环近红外染料的研究，高稳定的蓝色R6染料可用于高效天蓝色和绿色半透明太阳电池；在红色染料敏化太阳电池方面：将窄能隙染料与宽能隙染料在二氧化钛表面共组装，首次实现了光电转换效率达10％、高热稳定的染料敏化太阳电池。该项目的执行进一步巩固了中国在染料敏化太阳电池领域的国际领先地位。申请中国发明专利3件，授权1件，发表SCI论文26篇，其中影响因子>10的11篇。