Modeling sustainable photocatalytic degradation of acidic dyes using Jordanian nano-Kaolin-TiO2 and solar energy: Synergetic mechanistic insights.

The abstract highlights the global issue of environmental contamination caused by organic compounds and the exploration of various methods for its resolution. One such approach involves the utilization of titanium dioxide (TiO2) as a photocatalyst in conjunction with natural adsorption materials like kaolin. The study employed a modeling-based approach to investigate the sustainable photocatalytic degradation of acidic dyes using a Jordanian nano-kaolin-TiO2 composite material and solar energy. Mechanistic insights were gained through the identification of the dominant reactive oxygen species (ROS) involved in the degradation process, as well as the synergetic effect between adsorption and photocatalysis. The Jordanian nano-kaolin-TiO2 composite was synthesized using the sol-gel method and characterized. The nanocomposite photocatalyst exhibited particle sizes ranging from 27 to 41 nm, with the TiO2 nanoparticles well-dispersed within the kaolin matrix. The efficacy of this nanocomposite in removing Congo-red dye was investigated under various conditions, including pH, initial dye concentration, and photocatalyst amount. The optimal conditions for dye removal were found to be at pH 5, with an initial dye concentration of 20 ppm, and using 0.1 g of photocatalyst, resulting in a 95 % removal efficiency. The mechanistic insights gained from this study indicate that the hydroxyl radicals (•OH) generated during the photocatalytic process play a dominant role in the degradation of the acidic dye. Furthermore, the synergetic effect between the adsorption of the dye molecules onto the photocatalyst surface and the subsequent photocatalytic degradation by the ROS was found to enhance the overall removal efficiency. These findings contribute to the fundamental understanding of the photodegradation mechanisms and guide the development of more efficient photocatalytic systems for the treatment of acidic dye-containing wastewater. The use of solar power during the purification procedure also leads to cost reduction and strengthens sustainability efforts.

Impact of Mo+2 addition and thermal annealing on the surface morphology, electrical transport properties and Mott's parameters of WO3 films for potential photonic devices.

This work investigates the compositional dependence and thermal annealing of the morphological properties, electrical conductivity mechanisms and Mott's parameters of sprayed MoxW1-xO3 (x = 0, 0.05, 0.10 and 0,20) thin films. The prepared thin films were examined using field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray analysis (EDX) and Fourier transform infrared spectroscopy (FTIR) techniques. In addition, the two-point probe method was used to calculate the electrical properties of MoxW1-xO3 thin films. The FTIR results revealed that; the tungsten hydroxyl bond (W-OH) and the surface hydroxyl group vibrated within the ranges of 1558.62-1645.56 cm-1 and, 3296.76 and 3424.34 cm-1, respectively. Furthermore, a prominent band in the spectrum spanning from 850 to 650 cm-1 represents the W-O-W bridge mode. The FE-SEM investigations found that the molybdenum (Mo) dopant caused significant changes in the surface morphology of the films. The EDX results showed that the percentages of the isotropic elements MoxW1-xO3 agreed well with those obtained by atomic weight. Studies of the conduction mechanism indicate that the transition temperature was approximately 393K. Corresponding to Mott's model, the conduction mechanism below this temperature was across the variable hopping conduction band near the Fermi level. The mechanism exhibited a cycle of localised states through activated thermionic emission above 393K. Mott parameters were also estimated in addition to barrier potential energies, trapping state energies, local state densities, and other variables. The results revealed that both temperature areas had a rise in ρo and ρ1 values during and after annealing. The ΔEo and ΔE1 values in each temperature area decreased as the Mo-ion concentration increased. Furthermore, the conversion temperature gradually reduced as Mo was added. Based on these properties, the study's overall findings indicate that MoxW1-xO3 is suitable for future photonic devices and optoelectronic applications.

The Hydrothermal-Assisted Approach Improves the Photocatalytic and Energy Storage Performance of Novel CuSe-TiO2-GO Composite.

This study reports a novel CuSe-TiO2-GO composite, synthesized by a facile hydrothermal method at a controlled temperature, and investigates its electrochemical performance for supercapacitors (SCs) and photocatalytic behavior for degrading methylene blue (MB) dye. The compositional phase structure and chemical bond interaction were thoroughly investigated. The as-fabricated pristine, binary, and ternary composites underwent comprehensive characterization employing spectroscopic techniques and electrochemical analysis. Compared with pure and binary compounds (CuSe, TiO2, and binary CuSe-TiO2 composites), the ternary CuSe-TiO2-GO composites demonstrated a high degradation efficiency while degrading MB in less than just 80 min (240 min, 100 min, and 140 min, respectively). The photocatalytic activity of the ternary CuSe-TiO2-GO composites is enhanced due to the highly positive conduction band of CuSe, leading to the quick excitation of electrons to the conduction band of CuSe. Subsequently, graphene oxide (GO) left holes on the photocatalyst surface for MB, as GO assisted the photoexcited electron-hole pairs, resulting in enhanced photocatalytic performance. The CuSe-TiO2-GO electrode for the supercapacitor indicates a 310.6 F/g and 135.2 F/g capacitance when the discharge current upsurges from 1 to 12 A/g. The good photocatalytic and energy storage performance is due to the smaller charge transfer resistance, which promotes efficient separation of electron-hole pairs.

Density Functional Theory Unveils the Secrets of SiAuF3 and SiCuF3: Exploring Their Striking Structural, Electronic, Elastic, and Optical Properties.

In the quest for advanced materials with diverse applications in optoelectronics and energy storage, we delve into the fascinating world of halide perovskites, focusing on SiAuF3 and SiCuF3. Employing density functional theory (DFT) as our guiding light, we conduct a comprehensive comparative study of these two compounds, unearthing their unique structural, electronic, elastic, and optical attributes. Structurally, SiAuF3 and SiCuF3 reveal their cubic nature, with SiCuF3 demonstrating superior stability and a higher bulk modulus. Electronic investigations shed light on their metallic behavior, with Fermi energy levels marking the boundary between valence and conduction bands. The band structures and density of states provide deeper insights into the contributions of electronic states in both compounds. Elastic properties unveil the mechanical stability of these materials, with SiCuF3 exhibiting increased anisotropy compared to SiAuF3. Our analysis of optical properties unravels distinct characteristics. SiCuF3 boasts a higher refractive index at lower energies, indicating enhanced transparency in specific ranges, while SiAuF3 exhibits heightened reflectivity in select energy intervals. Further, both compounds exhibit remarkable absorption coefficients, showcasing their ability to absorb light at defined energy thresholds. The energy loss function (ELF) analysis uncovers differential absorption behavior, with SiAuF3 absorbing maximum energy at 6.9 eV and SiCuF3 at 7.2 eV. Our study not only enriches the fundamental understanding of SiAuF3 and SiCuF3 but also illuminates their potential in optoelectronic applications. These findings open doors to innovative technologies harnessing the distinctive qualities of these halide perovskite materials. As researchers seek materials that push the boundaries of optoelectronics and energy storage, SiAuF3 and SiCuF3 stand out as promising candidates, ready to shape the future of these fields.

Structural, Electronic, Elastic, and Optical Characteristics of AgZF3 (Z = Sb and Bi) Fluoro-Perovskites: Using a Computational Approach for Energy Generation.

This research is being conducted to learn more about various compounds and their potential uses in various fields such as renewable energy, electrical conductivity, the study of optoelectronic properties, the use of light-absorbing materials in photovoltaic device thin-film LEDs, and field effect transistors (FETs). AgZF3 (Z = Sb, Bi) compounds, which are simple, cubic, ternary fluoro-perovskites, are studied using the FP-LAPW and low orbital algorithm, both of which are based on DFT. Structure, elasticity and electrical and optical properties are only some of the many features that can be predicted. The TB-mBJ method is used to analyze several property types. An important finding of this study is an increase in the bulk modulus value after switching Sb to Bi as the metallic cation designated as "Z" demonstrates the stiffness characteristic of a material. The anisotropy and mechanical balance of the underexplored compounds are also revealed. Our compounds are ductile, as evidenced by the calculated Poisson ratio, Cauchy pressure, and Pugh ratio values. Both compounds exhibit indirect band gaps (X-M), with the lowest points of the conduction bands located at the evenness point X and the highest points of the valence bands located at the symmetry point M. The principal peaks in the optical spectrum can be understood in light of the observed electronic structure.

Reduced Graphene Oxide-Silver Nanoparticles for Optical Pulse Generation in Ytterbium- and Erbium-Doped Fiber Lasers.

This work has demonstrated the potential of a reduced graphene oxide silver/polyvinyl alcohol (rGO-Ag/PVA) film as a saturable absorber (SA) in ytterbium and erbium based Q-switched optical fiber lasers. The facile hydrothermal method was used to synthesize the nanocomposite between rGO and Ag nanoparticles. This was followed by a simple solution method to form the rGO-Ag film using PVA as the host polymer. From nonlinear absorption characterization, the rGO-Ag/PVA SA was determined to have a modulation depth of 30%, a nonsaturable loss of 70%, and a saturable intensity of 0.63 kW/cm2. Stable self-starting Q-switched pulses were obtained at the threshold pump power of 72.76 mW and 18.63 mW in the ytterbium-doped (YDFL) and erbium-doped fiber laser (EDFL) cavities respectively. The center operating wavelengths were observed at 1044.4 nm and 1560 nm for the two cavities. The shortest pulse width and maximum repetition rate of the YDFL and EDFL were 1.10 µs and 62.10 kHz and 1.38 µs and 76.63 kHz respectively. This work has demonstrated that the rGO-Ag/PVA film is suitable as an SA for pulse generation in the 1.0 and 1.5 µm regions and would have many potential photonics applications.

56 nm Wide-Band Tunable Q-Switched Erbium Doped Fiber Laser with Tungsten Ditelluride (WTe2) Saturable Absorber.

A wide-band and tunable Q-switched erbium-doped fiber (EDF) laser operating at 1560.5 nm with a tungsten ditelluride (WTe2) saturable absorber (SA) is demonstrated. The semi-metallic nature of WTe2 as well as its small band gap and excellent nonlinear optical properties make it an excellent SA material. The laser cavity uses an 89.5 cm long EDF, pumped by a 980 nm laser diode as the linear gain while the WTe2 based SA generates the pulsed output. The WTe2 based SA has a modulation depth, non-saturable loss and saturation intensity of about 21.4%, 78.6%, and 0.35 kW/cm2 respectively. Stable pulses with a maximum repetition rate of 55.56 kHz, narrowest pulse width of 1.77 µs and highest pulse energy of 18.09 nJ are obtained at the maximum pump power of 244.5 mW. A 56 nm tuning range is obtained in the laser cavity, and the output is observed having a signal to noise ratio (SNR) of 48.5 dB. The demonstrated laser has potential for use in a large number of photonics applications.