Exploring the role of halide mixing in lead-free BZA2SnX4 two dimensional hybrid perovskites

The role of halide substitution in a lead-free 2D hybrid perovskite is investigated on the BZA2SnX4 (BZA = benzylammonium; X = Cl, Br and I) system, by reporting the synthesis and the structural analysis by means of single-crystal X-ray diffraction data of the two novel compositions BZA2SnBr4 and BZ...

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Bibliographic Details
Published in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2020-01, Vol.8 (4), p.1875-1886
Main Authors: Pisanu, Ambra, Coduri, Mauro, Morana, Marta, Ciftci, Yasemin O, Rizzo, Aurora, Listorti, Andrea, Gaboardi, Mattia, Bindi, Luca, Queloz, Valentine I E, Milanese, Chiara, Grancini, Giulia, Malavasi, Lorenzo
Format: Article
Language:English
Subjects:
Composition
Computer applications
Crystal structure
Crystallography
Crystals
Emission spectra
Hydrogen bonding
Lead free
Perovskites
Single crystals
Solid solubility
Structural analysis
Synthesis
X-ray diffraction
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Summary:The role of halide substitution in a lead-free 2D hybrid perovskite is investigated on the BZA2SnX4 (BZA = benzylammonium; X = Cl, Br and I) system, by reporting the synthesis and the structural analysis by means of single-crystal X-ray diffraction data of the two novel compositions BZA2SnBr4 and BZA2SnCl4. In addition, the mixed composition BZA2Sn(BrxI1−x)4 (0 ≤ x ≤ 1) has been prepared by mechanochemical synthesis confirming the existence of a wide solid solubility between the two end-members. The absorption and emission spectra revealed a wide tuning of the band-gap by changing the halide, covering more than 300 nm in the visible range. Combined experimental and DFT calculations provide a complete picture of the electronic and structural properties of the BZA2SnX4 system, revealing a strong influence of the halide on the orientation for the benzylammonium cation, on the hydrogen bonding system within the perovskite network, and on the distortion of the octahedra.
ISSN:2050-7488
2050-7496
DOI:10.1039/c9ta11923j