The mechanism of the isostructural phase transition in C(NH2)3PbI3 as a guide for understanding the properties of the new phase

Dimitrovska-Lazova, Sandra; Bukleski, Miha; Tzvetkov, P.; Pecovska-Gjorgjevich, M.; Kovacheva, Daniela; Aleksovska, Slobotka

doi:10.1016/j.matchemphys.2021.125240

Cited by 6 publications

(4 citation statements)

References 46 publications

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“…Based on the spectrum recorded at low temperature and the one recorded at room temperature, it is evident that a phase transition occurs in DMAPbI3. The results involving phase transitions in perovskite materials, as published in the literature, [29][30][31] support the conclusion that there are two different phases present at these two temperatures. The position of the bands and their interchange (especially of the banding CH3 and the stretching and banding NH2 vibrations) are clear indications that the phase transition occurs because of the rotation of the CH3 and NH2 groups in the crystal structure of the perovskite.…”

Section: Infrared Spectra Analysissupporting

confidence: 72%

Synthesis, characterisation and voltammetric study of dimethylammonium lead iodide perovskite

Sela,

Stojanov,

Cheliku Ramadani

et al. 2024

Maced. J. Chem. Chem. Eng.

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In the last decade, the most investigated perovskite materials are the hybrid organic-inorganic perovskites (HOIPs) due to their optoelectronic properties and possible application in the production of photovoltaics. This interest has led to an ongoing search for new HOIP variants, alongside thorough investigations of the properties of existing HOIPs. That is why our research in the field of organic-inorganic perovskites is aimed at the synthesis, characterization, and investigation of the electrochemical properties of dimethylammonium lead iodide (DMAPbI3) using voltammetric studies. A modified synthesis of DMAPbI3, differing slightly from the one described in the literature, was performed by combining stoichiometric amounts of lead iodide (PbI2) and dimethylammonium iodide (DMAI) dissolved in acetonitrile. After conducting controlled evaporation, a yellow crystalline powder of DMAPbI3 was obtained. The identity and purity of the obtained compound were confirmed by powder X-ray diffraction (PXRD), infrared (IR) and Raman spectroscopy, and scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX). Investigations on the electrochemical properties of DMAPbI3 by cyclic voltammetry were performed with dichloromethane (DCM) and tetrabutylammonium chloride (TBAC) as the electrolyte. A paraffin-impregnated graphite electrode (PIGE) was used as a working electrode, on which the perovskite microparticles were immobilized. The electrochemical activity of DMAPbI3 is recognized through an intense, broad, and irreversible anodic peak attributed to the oxidation of the constituents to different possible products and the decomposition of the perovskite structure.

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Section: Infrared Spectra Analysissupporting

confidence: 72%

Synthesis, characterisation and voltammetric study of dimethylammonium lead iodide perovskite

Sela,

Stojanov,

Cheliku Ramadani

et al. 2024

Maced. J. Chem. Chem. Eng.

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“…These phase transitions are associated with partial and complete ordering of FA cations, which introduce lattice deformations. In addition, three additional isosymmetric phase transitions, which are not resolved crystallographically, were also observed in this system at 182, 162, and 118 K. , According to QENS and Raman scattering, the isosymmetric phase transitions relate to changes in the FA cation dynamics, which may affect the optoelectronic properties of this material. , Note that isosymmetric transitions are also observed in CsPbBr 3 and GAPbI 3 , while in MAPbBr 3 it can be induced by applied pressure …”

Section: Structural Phase Transitions In Nonmixed 3d Lead Halide Pero...mentioning

confidence: 75%

Phase Transitions and Dynamics in Mixed Three- and Low-Dimensional Lead Halide Perovskites

Simenas,

Gagor,

Banys

et al. 2024

Chem. Rev.

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Lead halide perovskites are extensively investigated as efficient solutionprocessable materials for photovoltaic applications. The greatest stability and performance of these compounds are achieved by mixing different ions at all three sites of the APbX 3 structure. Despite the extensive use of mixed lead halide perovskites in photovoltaic devices, a detailed and systematic understanding of the mixing-induced effects on the structural and dynamic aspects of these materials is still lacking. The goal of this review is to summarize the current state of knowledge on mixing effects on the structural phase transitions, crystal symmetry, cation and lattice dynamics, and phase diagrams of three-and low-dimensional lead halide perovskites. This review analyzes different mixing recipes and ingredients providing a comprehensive picture of mixing effects and their relation to the attractive properties of these materials.

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“…When the temperature increases to 343 K, compound 1 still crystallizes in the I2/m space group (2/m point group). Therefore, compound 1 was an isostructural phase transition, 34,35 The other bond lengths and angles of the RTP and HTP are within a reasonable data range and are described in detail in Table S2.…”

Section: ■ Introductionmentioning

confidence: 72%

“…When the temperature increases to 343 K, compound 1 still crystallizes in the I 2/ m space group (2/ m point group). Therefore, compound 1 was an isostructural phase transition, , which corresponded to the small dielectric dissimilarity of compound 1 near the phase-transition temperature. Crystal cell parameters slightly change: a = 7.764 (3) Å, b = 9.1235 (6) Å, c = 16.990 (2) Å, β = 102.018°, Z = 2, and V = 1171.7 (5) Å 3 .…”

Section: Resultsmentioning

confidence: 99%

Phase Transition and Luminescent Property Change Induced by Different Organic Cations in One-Dimensional Double Perovskites

Zhou,

Cao,

Zhou

et al. 2024

Inorg. Chem.

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Double perovskites (DPs) have attracted attention in the field of luminescence due to their inherent broadband emission of self-trapping excitons. In this work, we choose [(CH 3 ) 3 NCH 2 CHCH 2 ] + and [CH 3 CHOHCH 2 NH 2 ] + as organic cations to synthesize two new organic−inorganic hybrid DPs, [(CH 3 ) 3 NCH 2 CHCH 2 ] 2 KInCl 6 (1) and [CH 3 CHOHCH 2 NH 2 ] 2 KInCl 6 (2).The [KCl 6 ] 3− and [InCl 6 ] 3− octahedra are interchangeably connected by sharing two opposite faces, forming a one-dimensional coordination chain. Each K atom coordinates with six chlorine atoms in 1, while it coordinates with two oxygen atoms in addition to the six chlorine atoms in 2. The coordination between ions K and O in compound 2 may have significantly reduced its luminescence. As a result, compound 1 shows bright-yellow light with a quantum yield of more than 90%, while 2 shows weak blue light with a quantum yield of only 0.98%. In addition, different from no phase transition found in 2, 1 undergoes a reversible phase transition at 324/307 K in the heating−cooling cycle. Through structural and spectral analysis and density functional theory calculation, we conclude that the larger degree of [InCl 6 ] 3− octahedral distortion and the larger anion distance (In•••In) also cause the PLQY of compound 1 to be higher than that of compound 2.

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The mechanism of the isostructural phase transition in C(NH2)3PbI3 as a guide for understanding the properties of the new phase

Cited by 6 publications

References 46 publications

Synthesis, characterisation and voltammetric study of dimethylammonium lead iodide perovskite

Synthesis, characterisation and voltammetric study of dimethylammonium lead iodide perovskite

Phase Transitions and Dynamics in Mixed Three- and Low-Dimensional Lead Halide Perovskites

Phase Transition and Luminescent Property Change Induced by Different Organic Cations in One-Dimensional Double Perovskites

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