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Siegert, Tobias ; Kiel, Lorenz ; Pahwa, Prerna ; Witt, Christina ; Schötz, Konstantin ; Kahle, Frank-Julian ; Griesbach, Markus ; Panzer, Fabian ; Oberhofer, Harald ; Moos, Ralf ; Grüninger, Helen ; Köhler, Anna:
Exploring the phase diagram of FAPbI₃ using in situ reflectance spectroscopy.
In: Journal of Materials Chemistry A.
(November 2026)
.
ISSN 2050-7496
DOI: https://doi.org/10.1039/d6ta08191f
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Offizieller Projekttitel Projekt-ID GRK 2818: Optische Anregungen in organischen und anorganischen Halbleitern: Verstehen und Kontrollieren durch externe Stimuli 464648186 SFB 1585: Strukturierte Funktionsmaterialien für multiplen Transport in nanoskaligen räumlichen Einschränkungen 492723217 Linux-Cluster zum wissenschaftlichen Hochleistungsrechnen 523317330 Hochleistungscompute-Cluster 440719683 |
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Deutsche Forschungsgemeinschaft |
Abstract
α Phase formamidinium lead iodide (FAPbI3) is a promising perovskite absorber for high-efficiency photovoltaics, yet it is metastable under ambient conditions and converts to the unsuitable hexagonal δ phase. We investigate the combined influence of temperature and pressure on the phase behavior of FAPbI3 using a home-built hot-press system coupled with an in situ optical reflectance spectroscopy setup. δ FAPbI3 powders were subjected to temperatures between 25 and 140 °C and pressures up to 30 MPa. Optical signatures of the δ, 4H, 6H, and α phases were identified and used to construct an approximate temperature–pressure phase diagram. The observed phase evolution is consistent with the Clapeyron equation. Increasing temperature induces the δ → α phase transition, while compression drives a partial δ → 4H conversion. Furthermore, increasing pressure reduces the temperature required for the δ → α phase transition, suggesting lower effective activation barriers via the 4H as intermediate phase.