研究目的
Investigating the interaction of water with methylammonium lead iodide (MAPI) surfaces to understand the discrepancy between its hydrophilic nature and the hydrophobic behavior observed in contact angle measurements.
研究成果
The large contact angle of water on MAPI is attributed to the fast formation of superficial PbI2 layers upon water contact, which are almost hydrophobic. This study provides a methodology for studying contact angles on evolving substrates and suggests strategies for improving MAPI's resistance to water.
研究不足
The study is limited by the fast degradation of MAPI in liquid water, making it difficult to observe intermediate phases before final decomposition into PbI2. The computational models may not fully capture the complexity of real-world surface defects and roughness.
1:Experimental Design and Method Selection:
Combined molecular dynamics (MD) simulations with millisecond contact angle-measurements to study water interaction with MAPI surfaces.
2:Sample Selection and Data Sources:
MAPI films grown on glass and SiC substrates, polystyrene (PS), and lead iodide crystal (PbI2) as reference substrates.
3:List of Experimental Equipment and Materials:
Kruss drop shape analyzer (DSA 30S) for contact angle measurements, spin coater for film deposition, annealing equipment.
4:Experimental Procedures and Operational Workflow:
Deposition of water droplets on substrates, measurement of contact angle over time, MD simulations of water droplets on MAPI and reference substrates.
5:Data Analysis Methods:
Analysis of contact angle evolution, comparison between experimental and simulated contact angles, validation using the Young–Dupré relation.
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