Insight into the Interface Engineering of a SnO₂/FAPbI₃ Perovskite Using Lead Halide as an Interlayer: A...

Area of Science:

• Materials Science
• Renewable Energy
• Solid-State Physics

Background:

• Interfacial recombination in perovskite solar cells (PSCs) significantly increases energy losses.
• Optimizing the interface between the perovskite layer and electron transport layer (ETL) is key to enhancing PSC efficiency.
• Understanding interfacial properties is critical for developing next-generation photovoltaic technologies.

Purpose of the Study:

• To investigate the effects of different lead halide (PbX2, where X = Cl, Br, I) interlayers on the SnO2/FAPbI3 perovskite interface.
• To evaluate the potential of these interlayers for minimizing energy losses in PSCs through interface engineering.
• To determine the most effective interlayer for improving electron transport and passivating defects.

Main Methods:

• First-principles calculations were employed to extensively study the interface engineering of the SnO2/FAPbI3 perovskite.
• The electronic and structural properties of interlayers including PbI2, PbBr2, and PbCl2 were analyzed.
• Lattice mismatch and interfacial coupling were key parameters assessed.

Main Results:

• PbI2 interlayers require careful thickness control to avoid limiting charge transport due to precipitation.
• PbBr2 exhibits high lattice mismatch with the SnO2/FAPbI3 interface, rendering it unsuitable for passivation.
• PbCl2 demonstrates strong coupling with both SnO2 and FAPbI3, facilitating efficient electron transport and defect passivation.

Conclusions:

• PbCl2 is identified as a highly effective interlayer for enhancing electron transport pathways at the SnO2/FAPbI3 interface.
• The PbCl2 interlayer successfully passivates interface defects, leading to reduced energy losses in PSCs.
• Interface engineering with PbCl2 offers a promising strategy for improving the performance of perovskite solar cells.