TY - JOUR

T1 - Crystal structure and electronic properties of low-dimensional hexamethylenediaminium lead halide perovskites

AU - Balanov, M.I.

AU - Brylev, O. A.

AU - Кеворкянц, Руслан Эдуардович

AU - Емелин, Алексей Владимирович

AU - Селиванов, Никита Иванович

AU - Чижов, Юрий Владимирович

AU - Syuy, A. V.

AU - Shtarev, D. S.

AU - Korochencev, V. V.

PY - 2023

Y1 - 2023

N2 - This work reports on hybrid hexamethylenediaminium lead halide perovskites. The materials were prepared using wet synthesis and the subsequent precipitation from aqueous solution. Structural and morphological charactarization studies show their high degree of crystallinity and phase purity. The determined perovskites’ structural parameters agree well with the literature reports. The recorded XPS and DRS data allowed for the first schematic representation of the perovskite band structures. The latter match well the results of DFT modeling. It is shown for the first time that the increase in the perovskite bandgaps is solely due to the increase in the anion electronegativity. Namely, as the anion electronegativity increases, the corresponding valence band energy decreases. In contrast, the electronegativity of the anions has no effect on the perovskite conduction band energies. The presented study deepens our understanding of the relationship between the crystal and electronic structures of low-dimensional hybrid halide perovskites.

AB - This work reports on hybrid hexamethylenediaminium lead halide perovskites. The materials were prepared using wet synthesis and the subsequent precipitation from aqueous solution. Structural and morphological charactarization studies show their high degree of crystallinity and phase purity. The determined perovskites’ structural parameters agree well with the literature reports. The recorded XPS and DRS data allowed for the first schematic representation of the perovskite band structures. The latter match well the results of DFT modeling. It is shown for the first time that the increase in the perovskite bandgaps is solely due to the increase in the anion electronegativity. Namely, as the anion electronegativity increases, the corresponding valence band energy decreases. In contrast, the electronegativity of the anions has no effect on the perovskite conduction band energies. The presented study deepens our understanding of the relationship between the crystal and electronic structures of low-dimensional hybrid halide perovskites.

UR - https://www.mendeley.com/catalogue/0c79c7a9-b453-3681-a7a4-79c6a0963e2f/

U2 - 10.1039/d3dt00438d

DO - 10.1039/d3dt00438d

M3 - Article

VL - 52

SP - 6388

EP - 6397

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9226

IS - 19

ER -