Water-Regulated Lead Halide Perovskites Precursor Solution: Perovskite Structure Making and Breaking

Area of Science:

• Materials Science
• Chemistry
• Renewable Energy

Background:

• Perovskite solar cells (PSCs) are a promising renewable energy technology.
• Understanding precursor solution chemistry is crucial for PSC performance.
• The role of water in perovskite precursor solutions is not fully understood.

Purpose of the Study:

• To investigate the structural evolution of iodoplumbate complexes in precursor solutions.
• To elucidate the impact of water on these complexes over time.
• To link precursor structure to final PSC properties.

Main Methods:

• Digital twin approach combining X-ray absorption fine structure (XAFS) and molecular dynamic (MD) simulations.
• Studying precursor solutions under constant humidity.
• Analyzing structural changes of iodoplumbate complexes.

Main Results:

• Water molecules play a dual role in the perovskite formation process, both forming and breaking down iodoplumbate complexes.
• The study reveals the dynamic structural evolution of precursor complexes influenced by water.
• A comprehensive understanding of water's impact on precursor chemistry is established.

Conclusions:

• Water significantly influences the structure of iodoplumbate complexes in precursor solutions.
• The findings provide insights into the "making and breaking" role of water.
• This research enables the development of water-involved strategies for stable PSC fabrication.