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Updated: Oct 23, 2025

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Published on: February 3, 2021
Defect Passivation for Perovskite Solar Cells: from Molecule Design to Device Performance
Tianhao Wu1, Xing Li2, Yabing Qi3
1State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai, 200240, P. R. China.
Organic small molecules effectively passivate defects in perovskite solar cells (PSCs), enhancing their efficiency and stability. This review details molecular design strategies for improved photovoltaic performance.
Area of Science:
- Materials Science
- Renewable Energy
- Photovoltaics
Background:
- Perovskite solar cells (PSCs) are a rapidly advancing third-generation photovoltaic technology.
- Improving power conversion efficiency requires reducing non-radiative charge recombination caused by defects in metal halide perovskites.
Purpose of the Study:
- To review recent advancements in defect passivation for efficient and stable PSCs.
- To analyze the correlation between molecular structure design and device performance in passivation strategies.
Main Methods:
- Discussing the impact of functional groups, organic frameworks, and side chains on passivation molecule performance.
- Analyzing structure-performance correlations for various passivation molecules.
Main Results:
- Organic small molecule defect passivation is a promising approach for boosting PSC performance.
- Molecular structure significantly influences the photovoltaic parameters of PSCs.
Conclusions:
- A guideline for selecting suitable passivation agents is provided.
- Future trends in PSC passivation strategies are discussed.
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