Hybrid organic–inorganic perovskites (HOIPs) have attracted considerable attention for their scientific and technological potential in photovoltaics and optoelectronic devices. Recently, two-dimensional (2D) HOIPs have become established as useful active layers for photovoltaic applications, offering adjustable electronic levels, high charge carrier mobilities, and simplicity of thin-film device fabrication. In this work, we describe the preparation of a new Cu-based 2D hybrid perovskite, with the structural formula (C6H10N2)[CuCl4], of which crystallographic, spectroscopic, optical and magnetic properties have been studied and analyzed. The compound exhibits dominant ferromagnetic interactions. Fits of the χ(T) data to the 2D-ferromagnetic layer model yielded C = 0.456(2) emu-K mol-Oe−1 and J = 5.5(1). Analysis of electromagnetic absorption and reflectance properties through the visible and near-infrared indicate an optical band gap of 1.24 eV (absorption) or 1.23 eV (reflection) and a direct, spin-forbidden electronic transition giving rise to a strong absorption band centered at 740 nm, which allows it to absorb a large portion of the solar spectrum. Although the absorption coefficient is lower than lead halide perovskites, it is greater than 1000 cm−1 throughout the visible spectrum up to 1000 nm, giving the material potential as a solar absorber if relatively thick (∼5 μm) films are used. The nature of the electronic transition and frontier electronic states were studied by DFT and reveal valence and conduction bands arising from repeating CuCl4 square planar structural units composed of hybridized Cl 3px,y orbitals and Cu 3dx2−y2 orbitals. The electronic structure and optical properties indicate that the material might be able to serve as a non-toxic alternative to lead-based HOIPs in some applications.
In this paper, a synthesized zeolite (ZSM-5) is used as an adsorbent to analyze the adsorption phenomenon of carbon dioxide. This investigation, based on the statistical physics treatment, applied the multilayer model with saturation to understand the CO2 adsorption on four samples, namely M-ZSM-5 (M = Na+, Mg2+, Zn2+, La3+), at various temperatures T = 0 °C, 30 °C and 60 °C. The modeling results indicated that CO2 adsorption occurred via a non-parallel orientation on the ZSM-5 surface. The CO2 adsorption capacities varied from 26.14 to 28.65 cm3/g for Na-ZSM-5, from 25.82 to 27.97 cm3/g for Mg-ZSM-5, from 54.82 to 68.63 cm3/g for La-ZSM-5 and from 56.53 to 74.72 cm3/g for Zn-ZSM-5. Thus, Zn-ZSM-5 exhibits the highest adsorption amount. The analysis of the adsorption energies shows that the adsorption of CO2 on ZSM-5 zeolite is a physisorption phenomenon that could be controlled thanks to the energy parameters obtained via the numerical findings using the multilayer statistical model. Finally, the distribution of site energy was determined to confirm the physical character of the interactions between adsorbate/adsorbent and the heterogeneity of the zeolite surface.
26 October 2022 in International Journal of Biological Macromolecules
Environmental sustainability is the cornerstone of the development of nanotechnology in today’s time. The synthesis of nanoparticles (NPs) based on green chemistry widely promotes this concept by minimizing the use of toxic precursors. Herein, the synthesis of titanium dioxide (TiO2) NPs is reported using Origanum majorana extract. The mode of synthesis is facile, eco-friendly, economically, applicable, and rapid. The constituent phytochemicals of the extract responsible for the formation of the nanocatalysts were identified using FTIR spectroscopy. In addition, X-ray diffraction, particle size measurements, and transmission electron microscopy were used to characterize the nanocatalysts. Moreover, the ability of TiO2 NPs to degrade rhodamine B dye under UV irradiation was also investigated. The key findings showed the marked photocatalytic property of the synthesized green TiO2 NPs, which could be potentially incorporated as a nanoscale technique in the process of water purification for human use.