Synergistic Ion-Anchoring Passivation for Perovskite Solar Cells with Efficiency Exceeding 24% and Ultra-Ambient...

Area of Science:

• Materials Science
• Renewable Energy
• Photovoltaics

Background:

• Defect states at grain boundaries and interfaces in perovskite films cause charge recombination and ion migration, reducing device efficiency and stability.
• These defects, particularly lead- and iodine-related ones, are critical limitations for high-performance perovskite solar cells.

Purpose of the Study:

• To introduce a novel synergistic ion-anchoring passivation (SIP) strategy for enhancing perovskite solar cell performance.
• To design and implement a multifunctional molecule for defect healing through electrostatic interactions.
• To investigate the impact of SIP on device efficiency, stability, and voltage characteristics.

Main Methods:

• High-throughput density functional theory (DFT) simulations were employed to screen anion and cation species for the passivation molecule.
• Experimental verification was conducted to validate the effectiveness of the designed passivation agents.
• Perovskite solar cells were fabricated and treated with the SIP strategy, followed by performance and stability testing.

Main Results:

• The synergistic ion-anchoring passivation (SIP) strategy successfully healed charged defects in perovskite films.
• Perovskite solar cells treated with SIP achieved a power conversion efficiency exceeding 24% with minimal hysteresis.
• Devices exhibited a remarkable open-circuit voltage of 1.17 V and maintained 70% of their initial efficiency after 150 hours of high humidity exposure.

Conclusions:

• The rational design of passivation agents is crucial for realizing high-performance perovskite electronics.
• The SIP strategy offers a promising route for developing stable and efficient perovskite solar cells.
• This work demonstrates the potential of multifunctional molecules in addressing critical defect-related challenges in perovskite photovoltaics.