Synthesis And Characterization Of New Materials Like Perovskite [NH3-(CH2)n-NH3] ZnCl4 avec n=8 et 10

During this work, we have prepared new semiconductors [NH3-(CH2)n-NH3]ZnCl4 (n=8 ; 10) (Short notation 2CnZnCl4) which are self assembled organic-inorganic hybrid materials by solution chemistry technique using the HCl in evaporating phase. The grown crystals have been studied by infrared absorption spectroscopy, X-ray diffraction, scanning electron microscopy; the electrical properties of the hybrid perovskites synthesised were also studied by UV-visible measurements.

Preparation, Crystal Structure and Caracterization of Inorganic-Organic Hybrid Perovskite [NH3-(CH2)10-NH3] ZnCl4

A new perovskite like system [NH3-(CH2)10-NH3] ZnCl4, has been synthesized and characterized by single crystal X-ray diffraction, thermal analysis and infrared spectroscopic study. This compound crystallize in a triclinic space group P-1, with the unit cell parameters a=7.294(1), b=10.058(9) Å, c=12.812(1) Å, α = 90, 89(2), β = 101, 21(1), γ = 92, 40(3) and Z=2. The final R factor is 0,082. The structure of this compound might be described as layered with two parallel anionic and cationic layers. The first layer is composed by isolated distorted tetrahedral (ZnCl4)2- and the second layer of [NH3-(CH2)x-NH3]2+. Network hydrogen - bonding assures the cohesion between these layers and stabilizes the crystal. The structure shows the existence of a conformational disorder of the organic chains between " trans " and " twisted " states. The thermal analysis by DSC shows that the 2C10ZnCl4 perovskite presents reversible phase transition

Preparation, Crystal Structure and Caracterization of Inorganic-Organic Hybrid Perovskite [NH3-(CH2)10-NH3] ZnCl4

A new perovskite like system [NH3-(CH2)10-NH3] ZnCl4, has been synthesized and characterized by single crystal X-ray diffraction, thermal analysis and infrared spectroscopic study. This compound crystallize in a triclinic space group P-1, with the unit cell parameters a=7.294(1), b=10.058(9) Å, c=12.812(1) Å, α = 90, 89(2), β = 101, 21(1), γ = 92, 40(3) and Z=2. The final R factor is 0,082. The structure of this compound might be described as layered with two parallel anionic and cationic layers. The first layer is composed by isolated distorted tetrahedral (ZnCl4)2- and the second layer of [NH3-(CH2)x-NH3]2+. Network hydrogen - bonding assures the cohesion between these layers and stabilizes the crystal. The structure shows the existence of a conformational disorder of the organic chains between " trans " and " twisted " states. The thermal analysis by DSC shows that the 2C10ZnCl4 perovskite presents reversible phase transition

Preparation, Crystal Structure and Caracterization of Inorganic-Organic Hybrid Perovskite [NH3-(CH2)10-NH3] ZnCl4

A new perovskite like system [NH3-(CH2)10-NH3] ZnCl4, has been synthesized and characterized by single crystal X-ray diffraction, thermal analysis and infrared spectroscopic study. This compound crystallize in a triclinic space group P-1, with the unit cell parameters a=7.294(1), b=10.058(9) Å, c=12.812(1) Å, α = 90, 89(2), β = 101, 21(1), γ = 92, 40(3) and Z=2. The final R factor is 0,082. The structure of this compound might be described as layered with two parallel anionic and cationic layers. The first layer is composed by isolated distorted tetrahedral (ZnCl4)2- and the second layer of [NH3-(CH2)x-NH3]2+. Network hydrogen - bonding assures the cohesion between these layers and stabilizes the crystal. The structure shows the existence of a conformational disorder of the organic chains between " trans " and " twisted " states. The thermal analysis by DSC shows that the 2C10ZnCl4 perovskite presents reversible phase transition

Preparation, Crystal Structure and Caracterization of Inorganic-Organic Hybrid Perovskite [NH3-(CH2)10-NH3] ZnCl4

A new perovskite like system [NH3-(CH2)10-NH3] ZnCl4, has been synthesized and characterized by single crystal X-ray diffraction, thermal analysis and infrared spectroscopic study. This compound crystallize in a triclinic space group P-1, with the unit cell parameters a=7.294(1), b=10.058(9) Å, c=12.812(1) Å, α = 90, 89(2), β = 101, 21(1), γ = 92, 40(3) and Z=2. The final R factor is 0,082. The structure of this compound might be described as layered with two parallel anionic and cationic layers. The first layer is composed by isolated distorted tetrahedral (ZnCl4)2- and the second layer of [NH3-(CH2)x-NH3]2+. Network hydrogen - bonding assures the cohesion between these layers and stabilizes the crystal. The structure shows the existence of a conformational disorder of the organic chains between " trans " and " twisted " states. The thermal analysis by DSC shows that the 2C10ZnCl4 perovskite presents reversible phase transition

Theoretical and experimental investigations of optical, structural and electronic properties of the lower-dimensional hybrid [NH3-(CH2)10-NH3]ZnCl4

In the current study, a combination between theoretical and experimental studies has been made for the hybrid perovskite [NH3-(CH2)10-NH3]ZnCl4. The density functional theory (DFT) was performed to investigate structural and electronic properties of the tilted compound. A local approximation (LDA) and semi-local approach (GGA) were employed. The results are obtained using, respectively, the local exchange correlation functional of Perdew-Wang 92 (PW92) and semi local functional of Perdew-Burke-Ernzerhof (PBE). The optimized cell parameters are in good agreement with the experimental results. Electronic properties have been studied through the calculation of band structures and density of state (DOS), while structural properties are investigated by geometry optimization of the cell. Fritz-Haber-Institute (FHI) pseudopotentials were employed to perform all calculations. The optical diffuse reflectance spectra was mesured and applied to deduce the refractive index (n), the extinction coefficient (k), the absorption coefficient (α), the real and imaginary dielectric permittivity parts (εr,εi)) and the optical band gap energy Eg. The optical band gap energy value shows good consistent with that obtained from DFT calculations and reveals the insulating behavior of the material