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.

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

Listorti A.;
2020

Abstract

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.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11586/261782
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 14
  • ???jsp.display-item.citation.isi??? 14
social impact