Electronically Manipulated Molecular Strategy Enabling Highly Efficient Tin Perovskite Photovoltaics

Area of Science:

• Materials Science
• Renewable Energy
• Nanotechnology

Background:

• Interface compatibility is crucial for perovskite solar cells (PSCs).
• A single modification material is insufficient for diverse PSC interfaces.
• Tailored molecular design is needed for effective interface engineering.

Purpose of the Study:

• To develop a molecular strategy for buried interface modification in PSCs.
• To investigate the electronic effects of functional groups in silane coupling agents.
• To enhance energy level alignment, carrier transport, and stability in tin-based PSCs.

Main Methods:

• Synthesized three distinct silane coupling agents with varying functional groups.
• Utilized trimethoxy (3,3,3-trifluoropropyl)-silane (F3-TMOS) for interface modification.
• Analyzed the electronic effects, dipole moments, and work function changes.

Main Results:

• F3-TMOS, with electron-withdrawing groups, created a dipole moment towards the hole transport layer (HTL).
• Optimized energy level alignment and reduced open-circuit voltage loss.
• Improved carrier transport and reduced interface strain, enhancing tin-based PSC stability.
• Achieved a champion efficiency of 14.67% for tin PSCs treated with F3-TMOS.

Conclusions:

• Tailored molecular design of interface modifiers is effective for PSCs.
• F3-TMOS offers a promising approach for enhancing PSC performance and stability.
• This strategy enables precise molecular adjustments for diverse interfacial engineering challenges.