Tailoring the Interface with a Multifunctional Ligand for Highly Efficient and Stable FAPbI3 Perovskite Solar Cells and Modules

Fuqiang Li; Xiaofeng Huang; Chaoqun Ma; Junpeng Xue; Ying Li; Danbi Kim; Hyun-Seock Yang; Yuanyuan Zhang; Bo Ram Lee; Junghwan Kim; Binghui Wu; Sung Heum Park

doi:10.1002/advs.202301603

Tailoring the Interface with a Multifunctional Ligand for Highly Efficient and Stable FAPbI₃ Perovskite Solar Cells and Modules

Adv Sci (Weinh). 2023 Jul;10(21):e2301603. doi: 10.1002/advs.202301603. Epub 2023 May 11.

Authors

Fuqiang Li^{1

2}, Xiaofeng Huang³, Chaoqun Ma⁴, Junpeng Xue¹, Ying Li^{1

2}, Danbi Kim^{1

2}, Hyun-Seock Yang^{1

2}, Yuanyuan Zhang⁵, Bo Ram Lee^{1

2}, Junghwan Kim², Binghui Wu³, Sung Heum Park^{1

2}

Affiliations

¹ Department of Physics, Pukyong National University, Busan, 48513, South Korea.
² Institute of Energy Transport and Fusion Research, Pukyong National University, Busan, 48513, Republic of Korea.
³ College of Chemistry and Chemical Engineering, Pen-Tung Sah Institute of Micro-Nano Science and Technology, Xiamen University, Xiamen, 361005, China.
⁴ School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, China.
⁵ School of Science, Jiangsu Key Laboratory of Function Control Technology for Advanced Materials, Jiangsu Ocean University, Lianyungang, Jiangsu, 222005, China.

Abstract

Perovskite solar cells (PeSCs) using FAPbI₃ perovskite films often exhibit unfavorable phase transitions and defect-induced nonradiative interfacial recombination, resulting in considerable energy loss and impairing the performance of PeSCs in terms of efficiency, stability, and hysteresis. In this work, a facile interface engineering strategy to control the surface structure and energy-level alignment of perovskite films by tailoring the interface between the FAPbI₃ film and hole-transporting layer using 4-hydroxypicolinic acid (4HPA) is reported. According to density functional theory studies, 4HPA has prominent electron delocalization distribution properties that enable it to anchor to the perovskite film surface and facilitate charge transfer at the interface. By enabling multiple bonding interactions with the perovskite layer, including hydrogen bonds, PbO, and PbN dative bonds, 4HPA passivation significantly reduces the trap density and efficiently suppresses nonradiative recombination. The obtained perovskite films exhibit superior optoelectronic properties with improved crystallinity, pure α-phase FAPbI₃ , and favorable energy band bending. Following this strategy, 4HPA post-treatment PeSCs achieve a champion power conversion efficiency of 23.28% in 0.12 cm² cells and 19.26% in 36 cm² modules with excellent environmental and thermal stabilities.

Keywords: interfacial engineering; multiple bonds effect; perovskite solar cells; solar modules.

Abstract

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