Defect Passivation via Isoxazole Doping in Perovskite Solar Cells.

Area of Science:

• Materials Science
• Renewable Energy
• Photovoltaics

Background:

• Perovskite solar cells (PSCs) are promising for next-generation photovoltaics.
• Improving perovskite layer quality is crucial for enhancing PSC performance.
• Additive doping is a common strategy to boost PSC efficiency.

Purpose of the Study:

• To investigate the use of isoxazole as an additive in methylammonium lead iodide (MAPbI3) perovskite precursors.
• To explore the defect passivation mechanisms of isoxazole in the perovskite structure.
• To evaluate the impact of isoxazole doping on PSC performance and stability.

Main Methods:

• Isoxazole, a Lewis-base small molecule, was used as an additive in the MAPbI3 precursor.
• X-ray photoelectron spectroscopy (XPS) was employed to analyze the interaction between isoxazole and perovskite.
• Fabrication and characterization of PSC devices with and without isoxazole doping were performed.

Main Results:

• Isoxazole effectively passivates defects by interacting with undercoordinated Pb2+ ions.
• Optimized isoxazole doping increased power conversion efficiency from 15.6% to 17.5%.
• Isoxazole doping significantly improved device fill factor, short-circuit current density, and long-term stability.

Conclusions:

• Isoxazole is an effective additive for improving MAPbI3 perovskite solar cell performance.
• Isoxazole doping enhances defect passivation, leading to higher efficiency and stability.
• This strategy offers a promising route for developing high-performance and durable PSCs.