Elucidating the Non-Covalent Interactions that Trigger Interdigitation in Lead-Halide Layered Hybrid Perovskites.

Autor:	Maufort A; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium., Cerdá J; Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, B-7000 Mons, Belgium., Van Hecke K; XStruct, Department of Chemistry, Ghent University, Krijgslaan 281-S3, B-9000 Ghent, Belgium., Deduytsche D; Conformal Coating of Nanomaterials, Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, B-9000 Ghent, Belgium., Verding A; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium., Ruttens B; Imec-imomec, Wetenschapspark 1, B-3590 Diepenbeek, Belgium., Li W; Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, B-7000 Mons, Belgium., Detavernier C; Conformal Coating of Nanomaterials, Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, B-9000 Ghent, Belgium., Lutsen L; 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 C; Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, B-7000 Mons, Belgium., Vanderzande D; 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 D; Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, B-7000 Mons, Belgium., Van Gompel WTM; Hybrid Materials Design, Institute for Materials Research (imo-imomec), Hasselt University, Martelarenlaan 42, B-3500 Hasselt, Belgium.
Jazyk:	angličtina
Zdroj:	Inorganic chemistry [Inorg Chem] 2024 Mar 25; Vol. 63 (12), pp. 5568-5579. Date of Electronic Publication: 2024 Mar 12.
DOI:	10.1021/acs.inorgchem.3c04536
Abstrakt:	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.
Databáze:	MEDLINE
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