[en] Two-dimensional (2D) hybrid organic-inorganic perovskites constitute a versatile class of materials applied to a variety of optoelectronic devices. These materials are composed of alternating layers of inorganic lead halide octahedra and organic ammonium cations. Most perovskite research studies so far have focused on organic sublattices based on phenethylammonium and alkylammonium cations, which are packed by van der Waals cohesive forces. Here, we report a more complex organic sublattice containing benzotriazole-based ammonium cations packed through interdigitated π-π stacking and hydrogen bonding. Single crystals and thin films of four perovskite derivatives are studied in depth with optical spectroscopy and X-ray diffraction, supported by density-functional theory calculations. We quantify the lattice stabilization of interdigitation, dipole-dipole interactions, and inter- as well as intramolecular hydrogen bonding. Furthermore, we investigate the driving force behind interdigitation by defining a steric occupancy factor σ and tuning the composition of the organic and inorganic sublattice. We relate the phenomenon of interdigitation to the available lattice space and to weakened hydrogen bonding to the inorganic octahedra. Finally, we find that the stabilizing interactions in the organic sublattice slightly improve the thermal stability of the perovskite. This work sheds light on the design rules and structure-property relationships of 2D layered hybrid perovskites.
Disciplines :
Chemistry
Author, co-author :
Maufort, Arthur ; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium
Cerdá, Jesús; Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, B-7000 Mons, Belgium
Van Hecke, Kristof ; XStruct, Department of Chemistry, Ghent University, Krijgslaan 281-S3, B-9000 Ghent, Belgium
Deduytsche, Davy; Conformal Coating of Nanomaterials, Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, B-9000 Ghent, Belgium
Verding, Arne; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium
Li, Wei ; Université de Mons - UMONS > Faculté des Sciences > Service de Chimie des matériaux nouveaux
Detavernier, Christophe; Conformal Coating of Nanomaterials, Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, B-9000 Ghent, Belgium
Lutsen, Laurence; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium ; Imec-imomec, Wetenschapspark 1, B-3590 Diepenbeek, Belgium
Quarti, Claudio ; Université de Mons - UMONS > Faculté des Sciences > Service de Chimie des matériaux nouveaux
Vanderzande, Dirk ; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium ; Imec-imomec, Wetenschapspark 1, B-3590 Diepenbeek, Belgium
Beljonne, David ; Université de Mons - UMONS > Faculté des Sciences > Service de Chimie des matériaux nouveaux
Van Gompel, Wouter T M ; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium
R400 - Institut de Recherche en Science et Ingénierie des Matériaux R150 - Institut de Recherche sur les Systèmes Complexes
Funders :
FWO - Fonds Wetenschappelijk Onderzoek Vlaanderen F.R.S.-FNRS - Fonds de la Recherche Scientifique
Funding text :
A.M. acknowledges the Research Foundation Flanders (FWO) for the funding of his FWO fundamental research PhD grant (1115721N). W.T.M.V.G., K.V.H., L.L., and D.V. acknowledge the FWO for the funding of the SBO project PROCEED (S002019N) and the senior FWO research projects G043320N and G0A8723N. K.V.H. also thanks the FWO for funding through project AUGE/11/029. Computational resources were provided by the Consortium des Équipements de Calcul Intensif (CÉCI) funded by the Belgian National Fund for Scientific Research (F.R.S.-FNRS) under Grant 2.5020.11. The present research also benefited from computational resources made available on Lucia, the Tier-1 supercomputer of the Walloon Region, infrastructure funded by the Walloon Region under the grant agreement no. 1910247. The work at the University of Mons was performed within the frame of the M-ERA.NET project PHANTASTIC (R.8003.22), supported by the FNRS. C.Q. is a FNRS research associate, and D.B. is a FNRS research director.
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