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Regioselective Multisite Atomic-Chlorine Passivation Enables Efficient and Stable Perovskite Solar Cells
Jinpeng Wu1, Ming-Hua Li1,2, Jiang-Tao Fan3
1Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Journal of the American Chemical Society
|March 6, 2023
Summary
Organic halide salts improve perovskite solar cells (PSCs) but can degrade performance. This study uses organic molecules with chlorine to passivate defects, boosting PSC efficiency to 25.02% and enhancing stability.
Area of Science:
- Materials Science
- Photovoltaics
- Solid-State Chemistry
Background:
- Perovskite solar cells (PSCs) efficiency is limited by defects.
- Organic halide salts, particularly chlorides, are used for defect passivation due to strong Pb-Cl bonds.
- Incorporation of small Cl- anions into the perovskite lattice can degrade performance.
Purpose of the Study:
- To develop a novel method for defect passivation in PSCs.
- To prevent the detrimental incorporation of chlorine into the perovskite lattice.
- To enhance the power conversion efficiency (PCE) and stability of PSCs.
Main Methods:
- Substitution of ionic-Cl salts with atomic-Cl-containing organic molecules.
- Optimization of molecular configuration for optimal Cl atom spatial positioning.
- Investigation of the covalent bonding between Cl atoms and organic frameworks.
Main Results:
- Achieved a certified PCE of 25.02% for PSCs, a record high.
- Demonstrated prevention of Cl- anion incorporation into the perovskite bulk lattice.
- Enhanced PSCs retained 90% of initial PCE after 500 hours of operation.
Conclusions:
- Atomic-Cl-containing organic molecules offer superior defect passivation compared to ionic chlorides.
- Molecular design is crucial for maximizing defect passivation and preventing lattice distortion.
- This approach significantly improves both the efficiency and operational stability of PSCs.

