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Title: | Elucidating the Non-Covalent Interactions that Trigger Interdigitation in Lead-Halide Layered Hybrid Perovskites | Authors: | MAUFORT, Arthur Cerdá, Jesús Van Hecke, Kristof Deduytsche, Davy Verding, Arne RUTTENS, Bart Li, Wei Detavernier, Christophe Quarti, Claudio LUTSEN, Laurence VANDERZANDE, Dirk Beljonne, David VAN GOMPEL, Wouter |
Issue Date: | 2024 | Publisher: | AMER CHEMICAL SOC | Source: | INORGANIC CHEMISTRY, 63 (12) , p. 5568 -5579 | Abstract: | 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. | Notes: | Van Gompel, WTM (corresponding author), Hasselt Univ, Inst Mat Res Imo Imomec, Hybrid Mat Design, B-3500 Hasselt, Belgium. wouter.vangompel@uhasselt.be |
Document URI: | http://hdl.handle.net/1942/42704 | ISSN: | 0020-1669 | e-ISSN: | 1520-510X | DOI: | 10.1021/acs.inorgchem.3c04536 | ISI #: | 001183896500001 | Rights: | 2024The Authors.Published by American Chemical Society | Category: | A1 | Type: | Journal Contribution |
Appears in Collections: | Research publications |
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File | Description | Size | Format | |
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Manuscript Elucidating the non-covalent interactions that trigger interdigitation in lead-halide layered hybrid perovskites.pdf Until 2024-09-25 | Peer-reviewed author version | 2.88 MB | Adobe PDF | View/Open Request a copy |
maufort-et-al-2024-elucidating-the-non-covalent-interactions-that-trigger-interdigitation-in-lead-halide-layered-hybrid.pdf Restricted Access | Published version | 3.78 MB | Adobe PDF | View/Open Request a copy |
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