Modulating competitive adsorption of hybrid self-assembled molecules for efficient wide-bandgap perovskite solar cells and tandems

Chenyang Shi, Jianan Wang, Xia Lei, Qisen Zhou, Weitao Wang, Zhichun Yang, Sanwan Liu, Jiaqi Zhang, He Zhu, Rui Chen, Yongyan Pan, Zhengtian Tan, Wenguang Liu, Zhengjing Zhao, Zihe Cai, Xiaojun Qin, Zhiguo Zhao, Jingbai Li (), Zonghao Liu () and Wei Chen ()
Additional contact information
Chenyang Shi: Huazhong University of Science and Technology
Jianan Wang: Huazhong University of Science and Technology
Xia Lei: Shenzhen Polytechnic University
Qisen Zhou: Huazhong University of Science and Technology
Weitao Wang: The University of Tokyo
Zhichun Yang: Shanxi University
Sanwan Liu: Huazhong University of Science and Technology
Jiaqi Zhang: Huazhong University of Science and Technology
He Zhu: Huazhong University of Science and Technology
Rui Chen: Huazhong University of Science and Technology
Yongyan Pan: Huazhong University of Science and Technology
Zhengtian Tan: Huazhong University of Science and Technology
Wenguang Liu: Huazhong University of Science and Technology
Zhengjing Zhao: Huaneng Clean Energy Research Institute
Zihe Cai: Huaneng Clean Energy Research Institute
Xiaojun Qin: Huaneng Clean Energy Research Institute
Zhiguo Zhao: Huaneng Clean Energy Research Institute
Jingbai Li: Shenzhen Polytechnic University
Zonghao Liu: Huazhong University of Science and Technology
Wei Chen: Huazhong University of Science and Technology

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract The employment of self-assembled molecular hybrid could improve buried interface in perovskite solar cells (PSCs). However, the interplay among hybrid self-assembled monolayers (SAMs) during the deposition process has not been well-studied. Herein, we study the interaction between co-adsorbents and commonly used SAM material, [4-(3,6-dimethyl-9H-carbazol-9-yl)butyl]phosphonic acid (Me-4PACz) for wide-bandgap (WBG) PSCs. It is found that the co-adsorbent, 6-aminohexane-1-sulfonic acid (SA) tends to fill the uncovered sites without interference with Me-4PACz, ensuring the formation of a dense hole selective layer. Moreover, the use of SA/Me-4PACz mixed SAMs could effectively reduce the interfacial non-radiative recombination loss, optimize the energy alignment at the buried interface and regulate the crystallization of WBG perovskite. As a result, the 1.77 eV WBG PSCs deliver a power conversion efficiency (PCE) of 20.67% (20.21% certified) and an impressive open-circuit voltage (VOC) of 1.332 V (1.313 V certified). By combining with a 1.26 eV narrow-bandgap (NBG) PSC, we further fabricate 2-terminal all-perovskite tandem solar cells (TSCs) with a PCE of 28.94% (28.78% certified) for 0.087 cm2 and 23.92% for mini-module with an aperture area of 11.3 cm2.

Date: 2025
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DOI: 10.1038/s41467-025-58111-y

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