Interfacial Engineering through Chloride-Functionalized Self-Assembled Monolayers for High-Performance Perovskite...

Area of Science:

• Materials Science
• Photovoltaics
• Chemical Engineering

Background:

• Organic-inorganic hybrid perovskite (OIHP) materials offer high potential for efficient solar cells.
• Optimizing the interface between the charge transport layer (TiO2) and the perovskite layer is crucial for device performance.

Purpose of the Study:

• To investigate the impact of self-assembled monolayers at the TiO2-perovskite junction on triple cation perovskite solar cell performance.
• To identify specific chemical modifications that enhance solar cell efficiency.

Main Methods:

• Experimental investigation of perovskite solar cells with various self-assembled monolayers.
• Utilizing 4-chlorobenzoic acid as an interfacial modifier.
• Complementary density functional theory (DFT) calculations and device modeling.

Main Results:

• Employing 4-chlorobenzoic acid resulted in a significant increase in power conversion efficiency (PCE), from 20.3% to 21.35%.
• The enhancement is attributed to reduced interfacial defect states and improved structural continuity between TiO2 and the perovskite layer.
• Demonstrated the critical role of interfacial chemical interactions in device design.

Conclusions:

• 4-chlorobenzoic acid is an effective interfacial modifier for boosting perovskite solar cell efficiency.
• Chemical engineering of interfaces is vital for developing next-generation high-performance photovoltaic devices.
• Understanding and controlling interfacial chemistry is key to unlocking the full potential of OIHP solar cells.