ArticleScience advances2021
A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI
Article in Science advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Comparative computational study of sulfur-donor additives for stabilization of FAPbITurkish journal of chemistry · 2026Article
- Scalable metal-organic framework membranes through nonclassical crystallization for molecular separation.Science advances · 2025Article
- Nanoscale size effects in α-FAPbINature communications · 2025Article
- Low-temperature sequential deposition for efficient inverted perovskite solar cells.Nature communications · 2025Article
- Toward stabilization of formamidinium lead iodide perovskites by defect control and composition engineering.Nature communications · 2024Article
- Magnetic-biased chiral molecules enabling highly oriented photovoltaic perovskites.National science review · 2024Article
- Dissolved-ClNature communications · 2023Article
- Improving Crystallization and Stability of Perovskite Solar Cells Using a Low-Temperature Treated A-Site Cation Solution in the Sequential Deposition.Molecules (Basel, Switzerland) · 2023Article
- Collective Variables for Crystallization Simulations-from Early Developments to Recent Advances.ACS omega · 2023Review
- Solvent Gaming Chemistry to Control the Quality of Halide Perovskite Thin Films for Photovoltaics.ACS central science · 2022Article
- Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling.Journal of chemical theory and computation · 2022Article
Corrections and comments
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Authors and funding
14 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
It is well established that the lack of understanding the crystallization process in a two-step sequential deposition has a direct impact on efficiency, stability, and reproducibility of perovskite solar cells. Here, we try to understand the solid-solid phase transition occurring during the two-step sequential deposition of methylammonium lead iodide and formamidinium lead iodide. Using metadynamics, x-ray diffraction, and Raman spectroscopy, we reveal the microscopic details of this process. We find that the formation of perovskite proceeds through intermediate structures and report polymorphs found for methylammonium lead iodide and formamidinium lead iodide. From simulations, we discover a possible crystallization pathway for the highly efficient metastable α phase of formamidinium lead iodide. Guided by these simulations, we perform experiments that result in the low-temperature crystallization of phase-pure α-formamidinium lead iodide.
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Registered trials
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