Preferred Parallel Alignment of Sulfonamide Enables High‐performance Inverted Perovskite Solar Cells

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

doi:10.1002/adma.202507918

journal article·2025-09Open access

Preferred Parallel Alignment of Sulfonamide Enables High‐performance Inverted Perovskite Solar Cells

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

Advanced Materials· Volume 37· Issue 38

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Abstract

Abstract Molecule additives emerge as a highly effective strategy for enhancing the performance and stability of perovskite solar cells (PSCs), owing to their potential in suppressing intrinsic defects in perovskite. However, the influence of atomic configuration and electronic properties of additives on their passivation performance receives little attention. Here, two benzenesulfonamide derivatives, 4‐carboxybenzenesulfonamide (CO‐BSA) and 4‐cyanobenzenesulfonamide (CN‐BSA) are investigated, examining the effects of molecules with different electron‑acceptor functional groups on the defect passivation of perovskite layer and the photovoltaic properties of perovskite solar cells (PSCs. It is found that CN‑BSA and CO‑BSA preferentially adopt parallel‐aligned binding orientations within the perovskite, enabling strong coordination to two neighboring undercoordinated Pb²⁺ defect sites. Meanwhile, CO‑BSA exhibits a more favorable electronic configuration than CN‑BSA, which endows the functional groups with a higher electron density that enables stronger dual‐site binding with uncoordinated Pb²⁺ defects. Moreover, incorporating CO‐BSA promotes the formation of perovskite films with large grain sizes, high quality, and low defect densities. Consequently, the device modified with CO‐BSA achieves an efficiency of 26.53% (certified 26.31%). The encapsulated CO‐BSA‐based cell retains 96.1% of its initial efficiency after 1100 h of steady‐state power output (SPO) measurement in air.

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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Conducting polymers and applications · Organic Light-Emitting Diodes Research

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

Affiliations

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

Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou 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

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 · Australian Centre for Advanced Photovoltaics · Australian Renewable Energy Agency · National Natural Science Foundation of China

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