DataVXAdvanced Functional MaterialsPaper
journal article·2026-01

Bifunctional Ligand‐Mediated Dual‐Site Passivation Enables High‐Performance Perovskite Solar Cells with Efficiency Exceeding 26%

Yanbo Wang, Zewu Feng, Yiqing Zhang, Hailong Huang, Yansen Guo, Jianjun Xu, Huanyu Zhang, Yi Ji, Le Li, Chenghao Ge, Chaopeng Huang, Yurou Zhang, Jingsong Sun, Yitong Liu, Xueqi Wu, Xin Li, Yige Peng, Shuilong Kang, Siyu Chen, Weichang Zhou, Dongsheng Tang, Youyong Li, Bin Ding, Lianhai Zu, Jefferson Zhe Liu, Klaus Weber, Xiang He, Nan Hu, Yi Cui, Hualin Zhan, Xiaohong Zhang, Jun Peng

Advanced Functional Materials· Volume 36· Issue 3
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Source abstract

Abstract

Abstract The characteristics of perovskite solution processing inherently led to the formation of lattice defects during fabrication, such as lead and iodine vacancies. These defects significantly hinder the efficiency and stability of perovskite solar cells (PSCs), posing a major obstacle to their commercialization. Herein, a bifunctional ligand, N‐hydroxymethyl succinimide (NHMS), containing both Lewis base groups (C═O) and proton donor groups (─OH), is introduced to improve the crystal quality of perovskite films and enhance photovoltaic performance. Theoretical calculations and experimental results reveal that NHMS effectively passivates bulk and interfacial defects by coordinating with uncoordinated lead ions (Pb 2+ ) and forming hydrogen bonds with iodide or formamidinium ions (I − /FA + ). This dual‐site passivation effect effectively reduces trap‐assisted recombination. Moreover, the incorporation of NHMS promotes the oriented crystallization of the perovskite, leading to a notable increase in grain size. Consequently, NHMS‐treated PSCs achieved a champion power conversion efficiency (PCE) of 26.51% (certified 26.35%), while centimeter‐sized PSCs exhibit an impressive PCE of 25.15%. Furthermore, the NHMS‐treated device exhibits a remarkable stability for maintaining 95% of its initial efficiency after 1100 h of maximum power point voltage tracking. This work provides comprehensive insights into the application of dual‐site passivation to achieve high‐performance PSCs.
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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Conducting polymers and applications · Quantum Dots Synthesis And Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Functional Nano and Soft Materials (FUNSOM) Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow University Suzhou 215123 China

Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou Zhejiang 310000 China

School of Engineering The Australia National University Acton ACT 2601 Australia

School of Physics and Electronics Key Laboratory of Low‐dimensional Quantum Structures and Quantum Control of Ministry of Education Key Laboratory for Multifunctional Ionic Electronic Materials and Devices of Hunan Normal University Hunan Province Fundamental Research Center for Quantum Effects and Quantum Technology Hunan Normal University Changsha 410081 China

College of Chemistry Chemical Engineering and Materials Science Soochow University Suzhou 215123 China

Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201210 China

Department of Mechanical Engineering The University of Melbourne Parkville VIC 3010 Australia

Vacuum Interconnected Nanotech Workstation Suzhou Institute of Nano‐Tech and NanoBionics Chinese Academy of Sciences Suzhou 215123 China

Funding

Suzhou Key Laboratory of Functional Nano and Soft Materials · Higher Education Discipline Innovation Project · National Natural Science Foundation of China

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