基于原位嵌入的全无机钙钛矿界面调控及高效稳定光伏器件的研究

The advantage of high-efficiency as well as low-cost has made perovskite solar cells become a very promising technique in the photovoltaic fields. However, the organic components in widely-used perovskite (CH3NH3PbI3) materials are easily to decompose under moisture and elevated temperature, which retards the commercialization of perovskite solar cells.This proposal will focus on all-inorganic (CsPbI3) perovskite which has a promising chemical stability in theory. Concerning the relationship among the interface, component composition, device performance and stability, the applicant will explore new method to improve the efficiency and stability of inorganic perovskite solar cells from different points of view including molecular design, interface engineering, composition , crystal growth and morphology control. We target to build the relationship among the molecular structure, interfacial property and device performance of inorganic perovskite solar cells，and finally to make the controllable fabrication of inorganic perovskite solar cells with good stability and efficiency. The fulfillment of this proposal is supposed to provide independent intellectural property right of materials, device structure, theoritical basis and techniques for all-inorganic perovskite devices.

显著的效率和成本优势已经使钙钛矿太阳能电池在光伏领域展现出了巨大的应用前景。然而，常规钙钛矿材料（如CH3NH3PbI3）中的有机组份在湿热环境下易分解，导致其光伏器件稳定性离产业化标准尚存在较大差距。本项目以具有较高化学稳定性的全无机钙钛矿材料(CsPbI3)为基础，拟围绕全无机钙钛矿材料表界面及化学组份调控与器件效率及稳定性之间的构效关系，从分子设计、表界面工程、材料组份调控，晶体生长取向及薄膜形貌控制等角度，全方位探索提高全无机钙钛矿太阳能电池稳定性和光电性能的新方法；建立表界面分子的化学结构及物理特性与全无机钙钛矿材料稳定性及光电活性之间的关联机制，实现高效、稳定全无机钙钛矿太阳能电池的可控制备。本项目的实施有望为全无机钙钛矿太阳能电池的发展提供具有自主知识产权的材料体系和器件结构、以及理论基础和技术支撑。

本项目以具有较高化学稳定性的全无机钙钛矿材料(CsPbI2Br)为基础，提出了一种基于无掺杂P3HT空穴传输层的多策略来开发高效稳定的CsPbI2Br钙钛矿太阳能电池。围绕全无机钙钛矿材料表界面及化学组份调控与器件效率及稳定性之间的构效关系，全方位探索提高全无机钙钛矿太阳能电池稳定性和光电性能的新方法：一方面，噻吩甲胺乙酸盐（ThMAAc, Th）作为添加剂增强CsPbI2Br钙钛矿膜的α相稳定性，通过ThMAAc与PbI2的相互作用钝化CsPbI2Br钙钛矿膜的体缺陷；另一方面，在CsPbI2Br/P3HT界面引入具有不同官能团的BTCIC-4Cl (BT)，抑制钙钛矿表面缺陷，促进空穴的提取。采用ThMAAc添加剂和BTCIC-4Cl修饰制得的器件获得了16.3%的PCE，开路电压（Voc）为1.31 V，未封装的优化器件在85℃老化530 h后，可保留97%的初始PCE，实现了高效、稳定全无机钙钛矿太阳能电池的可控制备。建立了表界面分子的化学结构及物理特性与全无机钙钛矿电池器件物理和材料物理之间的关联机制。本项目的顺利实施有望为全无机钙钛矿太阳能电池的可控制备提供了具有自主知识产权的材料体系、器件工艺、理论基础和技术支撑。