Volume 137, Issue 8 e202420369
Forschungsartikel

Insights Into the Role of π-Electrons of Aromatic Aldehydes in Passivating Perovskite Defects

Xiaoqing Jiang.

Xiaoqing Jiang.

College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042 China

These authors contributed equally to this work.

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Lina Zhu

Lina Zhu

College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042 China

These authors contributed equally to this work.

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Bingqian Zhang

Bingqian Zhang

Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy, Qingdao New Energy Shandong Laboratory, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao, 266101 China

College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao, 266042 China

These authors contributed equally to this work.

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Guangyue Yang

Guangyue Yang

College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042 China

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Likai Zheng

Likai Zheng

Laboratory of Photonics and Interfaces, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland

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Kaiwen Dong

Kaiwen Dong

College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042 China

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Yanfeng Yin

Yanfeng Yin

State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 China

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Minhuan Wang

Corresponding Author

Minhuan Wang

Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education), School of Physics, Dalian University of Technology, Dalian, 116024 China

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Shiwei Liu

Corresponding Author

Shiwei Liu

College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042 China

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Shuping Pang

Corresponding Author

Shuping Pang

Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy, Qingdao New Energy Shandong Laboratory, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao, 266101 China

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Xin Guo

Corresponding Author

Xin Guo

Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 China

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First published: 12 December 2024

Abstract

Carbonyl-containing aromatic ketones or aldehydes have been demonstrated to be effective defect passivators for perovskite films to improve performances of perovskite solar cells (PSCs). It has been claimed that both π-electrons within aromatic units and carbonyl groups can, separately, interact with ionic defects, which, however, causes troubles in understanding the passivation mechanism of those aromatic ketone/aldehyde molecules. Herein, we clarify the effect of both moieties in one molecule on the defect passivation by investigating three aromatic aldehydes with varied conjugation planes, namely, biphenyl-4-carbaldehyde (BPCA), naphthalene-2-carbaldehyde (NACA) and pyrene-1-carbaldehyde (PyCA). Our findings reveal that the π-electrons located in the conjugated system do not directly present strong passivation for defects, but enhance the electron cloud density of the carbonyl group augmenting its interaction with defect sites; thereby, with the extended conjugation plane of the three molecules, their defect passivation ability is gradually improved. PSCs incorporating PyCA with the most extended π-electrons delocalization achieve maximum power conversion efficiencies of 25.67 % (0.09 cm2) and 21.76 % (14.0 cm2). Moreover, these devices exhibit outstanding long-term stability, retaining 95 % of their initial efficiency after operation for 1000 hours at the maximum power point.

Conflict of Interests

The authors declare no conflict of interest.

Data Availability Statement

The data that support the findings of this study are available from the corresponding author upon reasonable request.

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