Crystal structure and electronic properties of low-dimensional hexamethylenediaminium lead halide perovskites

Abstract

This work reports on hybrid hexamethylenediaminium lead halide perovskites. The materials were prepared using wet-synthesis and subsequent precipitation from aqueous solution. Structural and morphological charactarizations show their high degree of...

The effect of the halogen on the structural, optoelectronic, and luminescent properties of hybrid (1,5-pentanediamine)PbX4 (X = Cl, Br, I) perovskites

“…5b could be associated with VB → CB + 1 electronic transitions. 9 In the case of chloride perovskite, the second maximum is observed experimentally at 3.89 eV, while the theoretical value predicted by DFT amounts to 3.62 eV. In the case of bromide perovskite, the second maximum is observed experimentally at 3.17 eV, whereas DFT predicts a value of 3.09 eV.…”

“…We have observed and explained this behavior in 1,6-hexamethylenediamine perovskites previously. 9 As one can see from Table 2, there is a discrepancy between the theoretical (electronic) and experimental (optical) bandgaps of the perovskites. There are several reasons for this.…”

“…However, their electronic and optical properties are not directly affected by the length of the alkyl chain, being governed solely by the inorganic subsystem composition as we have shown recently using 1,6-hexamethylenediaminium perovskite as an example. 9…”

“…However, their electronic and optical properties are not directly affected by the length of the alkyl chain, being governed solely by the inorganic subsystem composition as we have shown recently using 1,6-hexamethylenediaminium perovskite as an example. 9 As a rule, quasi 2D hybrid perovskites show complex luminescence properties 10 combining narrow-band and broadband luminescence. The narrow-band luminescence is usually attributed to the luminescence of free excitons.…”

The effect of precursor concentrations on the structure and optoelectronic properties of quasi low-dimensional hybrid 2-methylpyridinium lead bromide crystalline phases

“…Keeping in mind the structure-property relationship, this approach paves the way to the design of materials that are interesting from both fundamental research and industrial applications perspectives. They can be formed from numerous organic 4,9,[21][22][23][24] and inorganic 21,25,26 cations, halide anions, and their mixtures, 21,[27][28][29] leading to technologically promising optical, 21,30 physico-chemical, 31 and electrical 10,30 properties. The structure-property relationship is most prominent in the case of quasi low-dimensional hybrid organometal halides with aromatic organic cations.…”