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Structural, optical, and electronic properties of single crystals of 4H lead-based hexagonal hybrid perovskite

hal.structure.identifierLaboratoire de Chimie des Polymères Organiques [LCPO]
dc.contributor.authorPAWULA, Florent
hal.structure.identifierLaboratoire de cristallographie et sciences des matériaux [CRISMAT]
dc.contributor.authorFAKIH, Ali
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorPÉCHEV, Stanislav
hal.structure.identifierLaboratoire de cristallographie et sciences des matériaux [CRISMAT]
dc.contributor.authorDAOU, Ramzy
hal.structure.identifierTeam 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
dc.contributor.authorMANTIONE, Daniele
hal.structure.identifierLaboratoire de cristallographie et sciences des matériaux [CRISMAT]
dc.contributor.authorLEBEDEV, Oleg
hal.structure.identifierLaboratoire de cristallographie et sciences des matériaux [CRISMAT]
dc.contributor.authorMAIGNAN, Antoine
hal.structure.identifierLaboratoire de Chimie des Polymères Organiques [LCPO]
hal.structure.identifierTeam 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
dc.contributor.authorHADZIIOANNOU, Georges
hal.structure.identifierLaboratoire de cristallographie et sciences des matériaux [CRISMAT]
dc.contributor.authorHÉBERT, Sylvie
hal.structure.identifierLaboratoire de Chimie des Polymères Organiques [LCPO]
dc.contributor.authorFLEURY, Guillaume
dc.date.issued2024
dc.identifier.issn2475-9953
dc.description.abstractEnLead 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.
dc.description.sponsorshipAdvanced Materials by Design - ANR-10-LABX-0042
dc.description.sponsorship“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
dc.description.sponsorshipInitiative d'excellence de l'Université de Bordeaux - ANR-10-IDEX-0003
dc.language.isoen
dc.publisherAmerican Physical Society
dc.subject.enSingle crystal materials
dc.subject.enHybrid perovskites
dc.subject.enSingle crystal materials
dc.subject.enThermal conductivity
dc.subject.enPhysical properties
dc.subject.enWide band gap systems
dc.subject.enCrystallography
dc.title.enStructural, optical, and electronic properties of single crystals of 4H lead-based hexagonal hybrid perovskite
dc.typeArticle de revue
dc.identifier.doi10.1103/PhysRevMaterials.8.025403
dc.subject.halChimie/Matériaux
bordeaux.journalPhysical Review Materials
bordeaux.page025403
bordeaux.volume8
bordeaux.issue2
bordeaux.peerReviewedoui
hal.identifierhal-04485212
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-04485212v1
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