PAWULA, Florent; FAKIH, Ali; PÉCHEV, Stanislav; DAOU, Ramzy; MANTIONE, Daniele; LEBEDEV, Oleg; MAIGNAN, Antoine; HADZIIOANNOU, Georges; HÉBERT, Sylvie; FLEURY, Guillaume

doi:10.1103/PhysRevMaterials.8.025403

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PAWULA, Florent
Laboratoire de Chimie des Polymères Organiques [LCPO]

FAKIH, Ali
Laboratoire de cristallographie et sciences des matériaux [CRISMAT]

PÉCHEV, Stanislav
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

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Article de revue

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Physical Review Materials. 2024, vol. 8, n° 2, p. 025403

American Physical Society

Resumen en inglés

Lead halide hybrid perovskite single crystals have been grown using antisolvent vapor-assisted crystallization. The chemical composition and structural model of the crystals have been established using nuclear magnetic resonance and single crystal x-ray diffraction, leading to the formula FA0.9MA0.1PbI2.23Br0.77. The hexagonal crystallographic structure with P63/mmc space group has been confirmed by transmission electron microscope study. Through a detailed analysis of the single crystal XRD data, the locations of FA+ and MA+ in the unit cell have been identified, and the off-centering of Pb2+ on the octahedral sites has been unveiled, probably due to the Pauli repulsion of the lone pair. This material is a wide-gap semiconductor with Eg = 2.27 eV and demonstrates photoluminescence activity. The thermal conductivity is disorder-dominated with an extremely low value of 0.17Wm−1K−1 from about 75 K up to 325 K. The present investigation on FA0.9MA0.1PbI2.23Br0.77 single crystal demonstrates that low values of thermal conductivities are obtained in this hexagonal family of hybrid halide perovskites, with mixed cationic and anionic disorder.< Leer menos

Palabras clave en inglés

Single crystal materials

Hybrid perovskites

Single crystal materials

Thermal conductivity

Physical properties

Wide band gap systems

Crystallography

DOI

http://dx.doi.org/10.1103/PhysRevMaterials.8.025403

Proyecto ANR

Advanced Materials by Design - ANR-10-LABX-0042
“Plate-forme de l'Université de Bordeaux pour l'organique électronique imprimable : de la molécule aux dispositifs et systèmes intégrés - valorisation et commercialisation” - ANR-10-EQPX-0028
Initiative d'excellence de l'Université de Bordeaux - ANR-10-IDEX-0003

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Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB) - UMR 5026