In Situ Regulating Perovskite film and its Surface via Multifunctional Fluorine-propylamine Hydrochloride toward Flexible Perovskite Solar Cells with Efficiency Over 23.5%
Xueqing XU a, Lavrenty G. Gutsev b, Pavel Troshin b
a Key Laboratory of Renewable Energy, Guangdong Provincial Key Laboratory of New and Renewable Energy Research and Development, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, P.R. China
b Federal Research Center for Problems of Chemical Physics and Medicinal Chemistry of RAS, Semenov Prospect 1, Chernogolovka, 142432, Russia
International Conference on Hybrid and Organic Photovoltaics
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV24)
València, Spain, 2024 May 12th - 15th
Organizer: Bruno Ehrler
Pending, Xueqing XU, presentation 062
Publication date: 6th February 2024

Presently, the passivation of trap-states at the surfaces and grain boundaries of perovskite absorbers is one of the largest challenges in achieving the stabilization and further commercializing of perovskite solar cells (PSCs) technology. Additionally, it would be advantageous to grow high-quality perovskite films on flexible substrates which would expand their applicability. Herein, a novel multifunctional fluorine-propylamine salt 2,2,3,3,3-pentafluoropropylamine hydrochloride (PFPACl) is dissolved into green antisolvent and in situ introduced onto the surface and surface sublayers of perovskite absorber to improve the performance of flexible PSCs (FPSCs). The multifunctional groups (NH3+, Cl-, and -F) within PFPACl not only passivate the charged defects but also inhibit the defect generation. PFPACl also finely regulated the crystallization of perovskite films and reduced the material’s lattice strain, resulting in lower Young’s modulus and excellent mechanical flexibility. Simultaneously, the valence band of PFPACl-treated perovskite and hole transport layer (HTL) shows better band alignment and improved work function, promoting carrier extraction and transport. We analyze these and many other factors via DFT calculations and find that the model also predicts better charge extraction at the perovskite-HTL interface. Consequently, PFPACl treatment improved the efficiency of the FPSCs to 23.59% with excellent mechanical robustness and operational stability.

This work was financially supported by "Transformational Technologies for Clean Energy and Demonstration", Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA 21061001). L.G. Gutsev thanks the Louisiana Optical Network Infrastructure (LONI) for the computational infrastructure used to complete this project. L.G. Gutsev acknowledges the Russian Science Foundation Grant No. 21-73-01057 and The Chinese Academy of Sciences PIFI Fellowship for Visiting Scientists (2024VCC0012) for financially supporting the theoretical portion of this work.

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