Multifunctional Graphdiyne Enables Efficient Perovskite Solar Cells via Anti-Solvent Additive Engineering

Area of Science:

• Materials Science
• Renewable Energy
• Nanotechnology

Background:

• High-efficiency perovskite solar cells (PSCs) require dense, smooth perovskite films with minimal defects.
• Current strategies focus on improving film quality through various engineering approaches.

Purpose of the Study:

• To enhance perovskite film quality and PSC performance using a novel anti-solvent additive.
• To investigate the role of ortho-substituted-4'-(4,4″-di-tert-butyl-1,1':3',1″-terphenyl)-graphdiyne (o-TB-GDY) in passivating defects and promoting crystal growth.

Main Methods:

• Utilized anti-solvent additive engineering by introducing o-TB-GDY into the perovskite anti-solvent.
• Characterized the sp/sp²-cohybridized and π-conjugated structure of o-TB-GDY.
• Evaluated the impact of o-TB-GDY on perovskite film morphology, defect passivation, and nucleation/growth processes.

Main Results:

• o-TB-GDY effectively passivated undercoordinated lead defects through π-electron conjugation.
• The additive acted as nucleation seeds, enhancing perovskite crystal nucleation and growth, leading to reduced defects.
• Achieved a power conversion efficiency (PCE) of 25.62% (certified 25.01%) and improved device stability, retaining 92.6% PCE after 500h of illumination.

Conclusions:

• Anti-solvent additive engineering with o-TB-GDY is a viable strategy for high-performance PSCs.
• The multifunctional nature of o-TB-GDY significantly improves perovskite film quality and device operational stability.
• This approach offers a promising pathway towards more efficient and durable perovskite solar energy conversion.