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

H Hailong Huang Y Yansen Guo (State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China) W Wei Wang Y Yanbo Wang (Department of Materials Science and Engineering, City University of Hong Kong) Z Zewu Feng (State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China) J Jianjun Xu (Liver Transplant Center, Union Hospital, Tongji Medical College) H Huanyu Zhang Y Yi Ji (State Key Laboratory of Catalysis) L Le Li X Xueqi Wu Y Yitong Liu (Peking-Tsinghua Center for Life Science, Academy for Advanced Interdisciplinary Studies, Peking University) Y Yige Peng (State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China) X Xin Li Y Yuan Fang (Department of Physics & Astronomy, Extreme Quantum Materials Alliance, Smalley-Curl Institute) Y Yurou Zhang (Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering) C Chaopeng Huang (Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou China) S Siyu Chen (Jinan University ,) W Weichang Zhou (School of Physics and Electronics, Hunan Normal University 3 , Changsha 410081,) D Dongsheng Tang (Synergetic Innovation Center for Quantum Effects and Application, Key Laboratory of Low-dimensional Quantum Structures and Quantum Control of Ministry of Education, Key Laboratory for Multifunctional Ionic Electronic Materials and Devices, College of Physics and Electronics, Hunan Normal University , Changsha 410081, Hunan,) J Jingsong Sun (Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou China) Y Youyong Li (Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices) B Bin Ding (National Key Laboratory of Strength and Structural Integrity, Institute of Solid Mechanics, School of Aeronautic Science and Engineering, Beihang University) J Jefferson Zhe Liu (Department of Mechanical Engineering) K Klaus Weber (School of Engineering The Australia National University Acton ACT 2601 Australia) X Xiang He (Anhui iAmetal New Energy Technology Co.,Ltd) Y Yi Cui N Nan Hu H Hualin Zhan (School of Engineering The Australia National University Acton ACT 2601 Australia) X Xiaohong Zhang J Jun Peng (State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry)

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 Pb 2+ 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 Pb 2+ 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.

Article Details

Volume / Issue Vol. 37, Issue 38
Published September 01, 2025
ISSN 0935-9648
Publisher Unknown Publisher

Journal Info

Advanced Materials

Unknown Publisher

ISSN: 0935-9648 Physical Sciences

Authors (30)

H

Hailong Huang

Y

Yansen Guo

State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China

W

Wei Wang

Y

Yanbo Wang

Department of Materials Science and Engineering, City University of Hong Kong

Z

Zewu Feng

State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China

J

Jianjun Xu

Liver Transplant Center, Union Hospital, Tongji Medical College

H

Huanyu Zhang

Y

Yi Ji

State Key Laboratory of Catalysis

L

Le Li

X

Xueqi Wu

Y

Yitong Liu

Peking-Tsinghua Center for Life Science, Academy for Advanced Interdisciplinary Studies, Peking University

Y

Yige Peng

State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China

X

Xin Li

Y

Yuan Fang

Department of Physics & Astronomy, Extreme Quantum Materials Alliance, Smalley-Curl Institute

Y

Yurou Zhang

Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering

C

Chaopeng Huang

Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou China

S

Siyu Chen

Jinan University ,

W

Weichang Zhou

School of Physics and Electronics, Hunan Normal University 3 , Changsha 410081,

D

Dongsheng Tang

Synergetic Innovation Center for Quantum Effects and Application, Key Laboratory of Low-dimensional Quantum Structures and Quantum Control of Ministry of Education, Key Laboratory for Multifunctional Ionic Electronic Materials and Devices, College of Physics and Electronics, Hunan Normal University , Changsha 410081, Hunan,

J

Jingsong Sun

Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou China

Y

Youyong Li

Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices

B

Bin Ding

National Key Laboratory of Strength and Structural Integrity, Institute of Solid Mechanics, School of Aeronautic Science and Engineering, Beihang University

J

Jefferson Zhe Liu

Department of Mechanical Engineering

K

Klaus Weber

School of Engineering The Australia National University Acton ACT 2601 Australia

X

Xiang He

Anhui iAmetal New Energy Technology Co.,Ltd

Y

Yi Cui

N

Nan Hu

H

Hualin Zhan

School of Engineering The Australia National University Acton ACT 2601 Australia

X

Xiaohong Zhang

J

Jun Peng

State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry