Multifunctional Histidine Cross-Linked Interface toward Efficient Planar Perovskite Solar Cells.

Area of Science:

• Materials Science
• Renewable Energy
• Nanotechnology

Background:

• High-performance perovskite solar cells (PSCs) require precise interface engineering.
• Planar SnO2-based PSCs face challenges due to surface defects on SnO2 and perovskite layers.

Purpose of the Study:

• To develop a novel multifunctional agent for modifying the SnO2/perovskite interface.
• To improve the efficiency and stability of PSCs by reducing interfacial defects and recombination.

Main Methods:

• Utilized histidine (His) as a cross-linking agent for the SnO2/perovskite interface.
• Employed Density Functional Theory (DFT) calculations and experimental validation.
• Investigated the molecular interactions of His with SnO2 and perovskite surfaces.

Main Results:

• His effectively passivates oxygen vacancies on SnO2 and interacts with perovskite lattice defects.
• Achieved a significant reduction in interfacial trap state density and nonradiative recombination.
• Improved electron extraction, interfacial contact, and perovskite film quality.
• Delivered a power conversion efficiency (PCE) of 22.91% and open-circuit voltage (Voc) of 1.17 V.
• Demonstrated suppressed hysteresis and enhanced humidity/thermal stability.

Conclusions:

• Histidine is a promising multifunctional interfacial material for high-performance PSCs.
• Interface engineering with designed agents like His is crucial for advancing PSC technology.
• The study provides a pathway for developing next-generation solar cell materials.