Exploring the role of halide mixing in lead-free BZA(2)SnX(4) two dimensional hybrid perovskites

Pisanu A., Coduri M., Morana M., ÇİFTCİ Y., Rizzo A., Listorti A., ...More

JOURNAL OF MATERIALS CHEMISTRY A, vol.8, no.4, pp.1875-1886, 2020 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 8 Issue: 4
  • Publication Date: 2020
  • Doi Number: 10.1039/c9ta11923j
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aerospace Database, Agricultural & Environmental Science Database, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex, Civil Engineering Abstracts
  • Page Numbers: pp.1875-1886
  • Gazi University Affiliated: Yes


The role of halide substitution in a lead-free 2D hybrid perovskite is investigated on the BZA(2)SnX(4) (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 BZA(2)SnBr(4) and BZA(2)SnCl(4). In addition, the mixed composition BZA(2)Sn(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 BZA(2)SnX(4) 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.