Electronic structure calculations and optical properties of a new organic–inorganic luminescent perovskite: (C9H19NH3)2PbI2Br2

Abid, Haitham; Samet, Amira Mahjoubi; Dammak, T.; Mlayah, Adnen; Hlil, E.K.; Abid, Y.

doi:10.1016/j.jlumin.2011.03.034

Cited by 36 publications

(27 citation statements)

References 27 publications

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“…The use of nonylammonium iodide in combination with PbBr 2 in DMF (2:1 molar ratio) produced the (C 9 H 19 NH 3 ) 2 PbI 2 Br 2 perovskite with a strong absorption band at 508 nm and a yellow‐green emission at 571 nm. The optical properties were consistent with theoretical calculations …”

Section: Organic‐lead Halide Perovskites: Bulk Low‐dimension Materialssupporting

confidence: 86%

Organometal Halide Perovskites: Bulk Low-Dimension Materials and Nanoparticles

González‐Carrero

Galian

Pérez‐Prieto

2015

Part. Part. Syst. Charact.

157

152

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Organometal halide perovskites (hybrid perovskites) contain an anionic metal-halogen-semiconducting framework and charge-compensating organic cations. As hybrid materials, they combine useful properties of both organic and inorganic materials, such as plastic mechanical properties and good electronic mobility related to organic and inorganic material, respectively. They are prepared from abundant and low cost starting compounds. The perovskite stoichiometry is associated with the dimensionality of its inorganic framework, which can vary from three to zero, 3D consisting of corner-sharing MX 6 octahedra, and 0D consisting of isolated octahedra. Small-sized organic cations can fi t into the MX 6 octahedra of the 3D framework and in all dimensions organic cations surround the inorganic framework. Regarding the low dimensionality in the material, this refers to at least one of its dimensions being shorter than approximately 100 nanometers. These materials should be considered as genuine nanomaterials or as bulk materials depending on whether they have three or less than three dimensions on the nanoscale, respectively. In principle, hybrid perovskite nanoparticles can be prepared with different shapes and with inorganic framework dimensionalities varying from 0D to 3D, and this also applies to the bulk material. This report is mainly focused on the unique properties of organometal halide perovskite nanoparticles.

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Section: Organic‐lead Halide Perovskites: Bulk Low‐dimension Materialssupporting

confidence: 86%

Organometal Halide Perovskites: Bulk Low-Dimension Materials and Nanoparticles

González‐Carrero

Galian

Pérez‐Prieto

2015

Part. Part. Syst. Charact.

157

152

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“…Moreover, it is important to compare the absorption, band gaps and luminescence properties of the title compound with those of homologous compounds (as seen in Table 6). It can be clearly seen that the excitonic absorption peaks of one-dimensional infinite chains (3.01 eV) occur at smaller energies than those of the corresponding zero-dimensional isolated octahedrons (3.29 eV [36], 3.06 eV [38], 3.22 eV [21], and 3.26 [37]). It can also be noted that the band gap energy peaks exhibit similar behavior to that of excitonic absorption peaks.…”

Section: Optical Studiesmentioning

confidence: 98%

“…It can be seen that the (C 6 H 14 N) 2 [BiBr 5 ] exhibits three distinct absorption bands around 3.01, 3.73 and 4.4 eV. According to several studies performed on low dimensional bismuth-bromide based materials [21,36,37], the absorption peak at 3.01 eV (411 nm) is assigned to the lowest excitons in the bismuth-bromide inorganic chains, while the second absorption band at 3.73 eV is due to electronic transition from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). On the other hand, the photoluminescence spectrum shows three distinct emissions bands an intense one at 2.71 eV and two shoulders at 2.65 eV and 2.57eV (Fig.…”

Section: Optical Studiesmentioning

confidence: 99%

Structural, vibrational and optical properties of a new self assembled organic–inorganic nanowire crystal (C6H14N)2[BiBr5]. A Density Functional Theory approach

Dammak

Triki

Mlayah

et al. 2015

Journal of Luminescence

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“…If a simple solidstate model of a lipid bilayer could be developed, the study of this system could be helpful to attaining the better understanding of the phase transitions in the lipid bilayers [2] . The advances in synthesis along with the ease of controlling various structural parameters(metal, halogen, and number of carbon atoms in the quaternary ammonium ion) have made C n R 3 M ideal objects for studies by spectroscopy, calorimetry, diffraction, and various other techniques [10][11][12][13][14] . In this field, much work has been focused both experimentally and theoretically on elucidating the behavior of n-alkanes and lipid bilayers in different environments, for which models have been proposed based on experiments [15][16][17] .…”

Section: Introductionmentioning

confidence: 99%

Experimental binary phase diagram of bilayer compounds [n-C n H2n+1N(CH3)3]2CoCl4

Sun

Ruan

et al. 2015

Chem. Res. Chin. Univ.

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Compounds [n-C n H 2n+1 N(CH 3 ) 3 ] 2 CoCl 4 (n=16, C 16 C 3 Co; n=18, C 18 C 3 Co) containing lipid-like bilayers embedded in a crystalline matrix exist in solid-solid phase transition. The low-temperature bilayer structures of the two compounds were organized by neutralizing CoCl 4 2− with alkylammonium ions. Alkyl chains lay parallel to each other and slightly tilted with respect to the normal of the inorganic layers. The adjacent alkyl chains interacted with each other by van der Waals interaction. When the temperature increased, the two compounds underwent a reversible solid-solid phase transformation within 310-330 K. In such a case, the chains showed a large motional freedom, and a disordered phase appeared. The structures can alternatively be viewed as a double layer of alkylammonium ions between CoCl 4 2− sheets and be considered as crystalline models of lipid bilayers. The experimental subsolidus binary phase diagram of [n-C 16 H 33 N(CH 3 ) 3 ] 2 CoCl 4 -[n-C 18 H 37 N(CH 3 ) 3 ] 2 CoCl 4 was constructed over the entire composition range by differential scanning calorimetry and X-ray diffraction technique. Experimental phase diagram indicates one stable intermediate phase [n-C 16 H 33 N(CH 3 ) 3 ][n-C 18 H 37 N(CH 3 ) 3 ]CoCl 4 at 16 3 C C Co w = 39.89% and two invariant threephase equilibria, which shows two eutectoid temperatures: T e 1 at (316±1) K for 16 3 C C Co w = 27.35% and T e 2 at (313±1) K for 16 3C C Co w =59.76%. These three noticeable solid-solution ranges are α-phase at the left, β-phase at the right, and γ-phase in the middle of the phase diagram.

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Electronic structure calculations and optical properties of a new organic–inorganic luminescent perovskite: (C9H19NH3)2PbI2Br2

Cited by 36 publications

References 27 publications

Organometal Halide Perovskites: Bulk Low-Dimension Materials and Nanoparticles

Organometal Halide Perovskites: Bulk Low-Dimension Materials and Nanoparticles

Structural, vibrational and optical properties of a new self assembled organic–inorganic nanowire crystal (C6H14N)2[BiBr5]. A Density Functional Theory approach

Experimental binary phase diagram of bilayer compounds [n-C n H2n+1N(CH3)3]2CoCl4

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