Exploring the Structural Competition between the Black and the Yellow Phase of CsPbI3

The realization of stable inorganic perovskites is crucial to enable low-cost solution-processed photovoltaics. However, the main candidate material, CsPbI3, suffers from a spontaneous phase transition at room temperature towards a photo-inactive orthorhombic δ-phase (yellow phase). Here we used the...

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Bibliographic Details
Published in:Nanomaterials (Basel, Switzerland) Switzerland), 2021-05, Vol.11 (5), p.1282
Main Authors: Deretzis, Ioannis, Bongiorno, Corrado, Mannino, Giovanni, Smecca, Emanuele, Sanzaro, Salvatore, Valastro, Salvatore, Fisicaro, Giuseppe, La Magna, Antonino, Alberti, Alessandra
Format: Article
Language:English
Subjects:
Crystals
CsPbI3
density functional theory
Experimental methods
Glass substrates
high-resolution electron microscopy
inorganic lead halide perovskites
Lead compounds
Low temperature
Materials selection
Metal halides
Perovskites
Phase transitions
Photovoltaic cells
Photovoltaics
Physical characteristics
Physical properties
Process controls
Room temperature
Temperature
Transmission electron microscopy
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Summary:The realization of stable inorganic perovskites is crucial to enable low-cost solution-processed photovoltaics. However, the main candidate material, CsPbI3, suffers from a spontaneous phase transition at room temperature towards a photo-inactive orthorhombic δ-phase (yellow phase). Here we used theoretical and experimental methods to study the structural and electronic features that determine the stability of the CsPbI3 perovskite. We argued that the two physical characteristics that favor the black perovskite phase at low temperatures are the strong spatial confinement in nanocrystalline structures and the level of electron doping in the material. Within this context, we discussed practical procedures for the realization of long-lasting inorganic lead halide perovskites.
ISSN:2079-4991
2079-4991
DOI:10.3390/nano11051282