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

Autor:	Balanov MI; Institute of High Technologies and Advanced Materials of the Far Eastern Federal University, Vladivostok, Russky Island, Ajax, 10, 690022, Russia., Brylev OA; Department of Materials Science, Shenzhen MSU-BIT University, 1 International University Park Road, Longgang District, Shenzhen, 518172, China.; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russia., Kevorkyants R; Hong Kong Quantum AI Lab Ltd., HKSTP, Hong Kong, China., Emeline AV; Laboratory 'Photonics of Crystals', Saint-Petersburg State University, 198034, Russia., Selivanov NI; Laboratory 'Photonics of Crystals', Saint-Petersburg State University, 198034, Russia., Chizhov YV; Laboratory 'Photonics of Crystals', Saint-Petersburg State University, 198034, Russia., Syuy AV; Center for Photonics and 2D Materials, Moscow Institute of Physics and Technology, Dolgoprudny, 141701, Russia. shtarev@mail.ru., Shtarev DS; Department of Materials Science, Shenzhen MSU-BIT University, 1 International University Park Road, Longgang District, Shenzhen, 518172, China., Korochencev VV; Institute of High Technologies and Advanced Materials of the Far Eastern Federal University, Vladivostok, Russky Island, Ajax, 10, 690022, Russia.
Jazyk:	angličtina
Zdroj:	Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2023 May 16; Vol. 52 (19), pp. 6388-6397. Date of Electronic Publication: 2023 May 16.
DOI:	10.1039/d3dt00438d
Abstrakt:	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.
Databáze:	MEDLINE
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