Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH₃CH₂CH(NH₃)CH₂]BiCl₅

Abstract

In this work the crystal structure by single crystal X‐ray measurement and optical properties of 1D propane‐1,2‐diammonium pentachlorobismuthate [NH3CH2CH(NH3)CH3]BiCl5 organic–inorganic hybrid perovskite are presented. It is prepared by mixing ethanolic solution of equimolar ratios (1:1) of its basic components. The title compound crystallized in the noncentrosymmetric orthorhombic space group Pca21 with Z = 8 molecules per unit cell. The unit‐cell parameters are a = 19.8403 (7) Å, b = 6.3303 (2) Å, c = 19.0314 (7) Å. The vibrational spectra are studied by Raman and infrared spectroscopy. The optical properties show a strong absorption in the ultraviolet region, the band gap energy Eg is found to be 3.15 eV. Cathodoluminescence measurements are also discussed.

Synthesis, Characterization, and Optical Properties of New Organic–Inorganic Hybrid Perovskites [(NH3)2(CH2)3]CuCl4 and [(NH3)2(CH2)4]CuCl2Br2

“…The organic cation [(NH 3 ) 2 (CH 2 ) 3 ]Cl 2 1,2 diamine propane‐chlorate was prepared according to the previous works. [ 18–21 ]…”

“…The perovskite hybrid of [(NH 3 ) 2 (CH 2 ) 4 ]CuCl 2 Br 2 was prepared according to Equation (). [ 11,20,24 ] The steps of preparation are shown in Figure . Brown cubic crystals of [(NH 3 ) 2 (CH 2 ) 4 ]CuCl 2 Br 2 denoted C 4 CuClBr precipitate out, as shown in Figure .…”

Layered Arrangement of 1D Wavy Chains in the Lead‐Free Hybrid Perovskite (PyrCO2H)2BiI5: Structural Investigations and Properties

“…The absorption spectrum shown in Figure 4 clearly displays a broad intense band in the 400-600 nm range, suggesting a direct band gap as calculated for other such BiI 5 . [37,38] In such hybrid the low energy transition usually corresponds to a ligand-to-metal transition involving I 5p orbitals (top of the valence band) and empty Bi 6p orbitals (down of the conduction band). [37,38] According to Tauc equation, [46] the corresponding optical band gap can be defined as 2.03 eV indicating that this semiconductor material can be used in various optoelectronic applications.…”

“…[37,38] In such hybrid the low energy transition usually corresponds to a ligand-to-metal transition involving I 5p orbitals (top of the valence band) and empty Bi 6p orbitals (down of the conduction band). [37,38] According to Tauc equation, [46] the corresponding optical band gap can be defined as 2.03 eV indicating that this semiconductor material can be used in various optoelectronic applications. This band gap value of 2.03 eV for (PyrCO 2 H) 2 BiI 5 is comparable to those observed for recently reported cis-BiI 5 based hybrid perovskites such as (C 6 H 13 N) 2 BiI 5 (E g = 2.02 eV), [38] (NH 3 C 6 H 12 NH 3 )BiI 5 (E g = 2.15 eV), [36] or ((CH 3 ) 2 S(CH 2 ) 2 NH 3 )BiI 5 (E g = 1.90 eV).…”

“…The cis-MX 5 network is more common giving promising materials in various fields including ferroelectrics, light-emitting diodes, lasers, and solar cells. [36][37][38][39] Thus, S. Ardo et al have reported on a cis-BiI 5 based hybrid as absorber, however leading to very low PCE (< 0.1 %). [36] The isomeric 1D trans-BiI 5 chain seems more promising because of the trans-connectivity of octahedra along an infinite direction.…”