Nanoscale size effects in α-FAPbI3 evinced by large-scale ab initio simulations

Abstract Formamidinium-lead-iodide (FAPbI3) has a rich phase diagram, and long-range correlation between the organic cations and lattice dipoles can influence phase transitions and optoelectronic properties. System size effects are crucial for an appropriate theoretical description of FAPbI3. We per...

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Bibliographic Details
Main Authors: Virginia Carnevali, Lorenzo Agosta, Vladislav Slama, Nikolaos Lempesis, Andrea Vezzosi, Ursula Rothlisberger
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-61351-7
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