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Published on: February 27, 2017
Molecular Interaction Regulates the Performance and Longevity of Defect Passivation for Metal Halide Perovskite Solar
Yepin Zhao, Pengchen Zhu1, Shu Huang
1National Laboratory of Solid State Microstructures, College of Engineering and Applied Sciences, School of Physics, and Jiangsu Key Laboratory of Artificial Functional Materials, Nanjing University, Nanjing 210093, China.
Designing robust passivation agents with stronger interaction energies significantly enhances perovskite solar cell (PSC) performance and operational stability. This strategy effectively suppresses defects and their migration, leading to durable devices.
Area of Science:
- Materials Science
- Renewable Energy
- Photovoltaics
Background:
- Defect passivation is crucial for high-efficiency perovskite solar cells (PSCs).
- The long-term durability of passivation under operational stress remains a challenge due to weak bonding between agents and perovskite crystals.
Purpose of the Study:
- To investigate how the interaction energy of designed passivating agents affects perovskite crystals.
- To correlate interaction energies with passivation performance and device longevity.
Main Methods:
- Incorporation of strategically designed passivating agents with varying interaction energies.
- Performance and stability testing of treated perovskite solar cells under continuous illumination and thermal stress.
- Analysis of defect passivation and migration suppression.
Main Results:
- Passivation agents with stronger interaction energies provided superior defect passivation and suppressed defect migration.
- Optimal agent treatment resulted in perovskite solar cells retaining 81.9% (illumination) and 85.3% (nitrogen, 85°C) of initial performance after 1008 hours.
- Reference devices without optimal passivation degraded completely under the same conditions.
Conclusions:
- Stronger interaction energy in passivation agents is key for both effective defect passivation and enhanced operational stability in PSCs.
- This study offers insights for designing durable passivation agents for perovskite optoelectronic devices.

