Optical, Dielectric, Magnetic, Photocatalytic, and Antibacterial Properties of Ga-Doped BiGaxFe1-xO3 Synthesized by the Microemulsion Approach.

The effect of Ga-substitution on bismuth ferrite BiGaxFe1-xO3 (x = 0, 0.05, 0.10, 0.15, 0.20, and 0.25) properties was investigated, which was fabricated using a microemulsion route. X-ray diffraction analysis confirmed that specimens had a single-phase rhombohedral structure with space group R3̅c. The concentration of Ga had an impact on various properties such as structural parameters, crystalline size, porosity, and unit cell volume. The samples exhibited notable values for the dielectric constant, tangent loss, and dielectric loss in the low-frequency range, which declined as the frequency increased due to different polarizations. The increment in the AC conductivity was associated with rise in frequency. The P-E loops demonstrated that the samples became more resistive as the Ga concentration increased. The retentivity (Mr) and saturation magnetization (Ms) values reduced as the Ga content increased, although all samples had Hc values within the range for electromagnetic materials. The Ga-substitution had a synergistic effect on the electrochemical characteristics of BiGaxFe1-xO3, resulting in greater conductivity than that of undoped BiFeO3. These enhanced properties contributed to their higher photocatalytic activity in the degradation of crystal violet under visible light irradiation. The doped BiGaxFe1-xO3 exhibited 79% dye degradation after 90 min of illumination compared to 54% for pure BiFeO3. Recycling experiments confirmed the stability and reusability of the synthesized nanoparticles. The antibacterial activity of the samples was certified against various microbes, and the doped BiGaxFe1-xO3 showed promising activity. Thus, doped materials are good candidates for memories, dielectric resonators, and photovoltaics because of their high dielectric constant and AC conductivity, while their higher photocatalytic activity under visible light makes them promising photocatalysts for removing noxious and harmful effluents from wastewaters.

Cobalt Ferrite Surface-Modified Carbon Nanotube Fibers as an Efficient and Flexible Electrode for Overall Electrochemical Water Splitting Reactions.

One of the most practical and environmentally friendly ways to deal with the energy crises and global warming is to produce hydrogen as clean fuel by splitting water. The central obstacle for electrochemical water splitting is the use of expensive metal-based catalysts. For electrocatalytic hydrogen production, it is essential to fabricate an efficient catalyst for the counterpart oxygen evolution reaction (OER), which is a four-electron-transfer sluggish process. Here in this study, we have successfully fabricated cobalt-based ferrite nanoparticles over the surface of carbon nanotube fiber (CNTF) that was utilized as flexible anode materials for the OER and overall electrochemical water splitting reactions. Scanning electron microscopy images with elemental mapping showed the growth of nanoparticles over CNTF, while electrochemical characterization exhibited excellent electrocatalytic performance. Linear sweep voltammetry revealed the reduced overpotential value (260 mV@η10mAcm-2) with a small Tafel slope of 149 mV dec-1. Boosted electrochemical double layer capacitance (0.87 mF cm-2) for the modified electrode also reflects the higher surface area as compared to pristine CNTF (Cdl = 0.022 mF cm-2). Charge transfer resistance for the surface-modified CNTF showed the lower diameter in the Nyquist plot and was consequently associated with the better Faradaic process at the electrode/electrolyte interface. Overall, the as-fabricated electrode could be a promising alternative for the efficient electrochemical water splitting reaction as compared to expensive metal-based electrocatalysts.

Synthesis of Oval-Shaped Bi2Al4O9 Nanoparticles and Their Applications for the Degradation of Acid Green 25 and as Fuel Additives.

The present study was designed to synthesize an oval-shaped bimetallic bismuth aluminate (Bi2Al4O9) nanoparticles through a solvothermal approach. The resulting structure and morphology of synthesized materials were characterized through X-ray diffraction and scanning electron microscopy. The catalytic performance of Bi2Al4O9 was investigated using acid green 25 (AG-25) as the model dye. The effect of various parameters like catalyst dose, H2O2 concentration, and temperature on dye degradation was studied. The Bi2Al4O9 nanocomposite exhibited the maximum removal of 95% within 50 min at 0.3 M H2O2 concentration, 0.05 mg/mL catalyst dose, and 315 K temperature. The photocatalytic removal of AG-25 followed pseudo-first-order kinetics. The thermodynamics study exposed that thermal catalytic degradation is a spontaneous, endothermic, as well as entropy-driven reaction that moves in the forward direction at the higher temperatures. The Bi2Al4O9 composite was further applied as fuel additives in order to study combustion and physical characteristics of the modified fuel. The efficacy of modified fuel was studied by investigating the fuel parameters at different Bi2Al4O9 dosages. Results revealed that synthesized NPs are excellent photocatalysts and could possibly be used for the removal of toxic pollutants.

First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications.

Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X = Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed two criteria: the Birch-Murnaghan equation of state and the negative formation energy. The evaluation of elastic constants (ECs) plays a crucial role in determining the mechanical stability of both compounds. Specifically, we ensure that the conditions C11 - C12 > 0, C11 > 0, C11 + 2C12 > 0, and B > 0 are satisfied and exhibit mechanical anisotropy and ductility. The analysis of electronic properties clearly indicates that LaPtSi displays metallic behavior in both the spin-up and spin-down states. In the spin-up state of LaPdSi, a band gap is observed, which indicates its characteristic of being a half-metal. A comprehensive investigation of optical properties revealed that these compounds display notable absorption and optical conductivity at higher energy levels. Conversely, they exhibit transparency to incident photons at lower energy levels. Based on the findings, it can be concluded that these compounds are highly suitable for application in high-frequency UV devices. The thermoelectric properties clearly indicate that both materials exhibit high power factors, electrical conductivity, and figures of merit (ZT), suggesting their potential as exceptional thermoelectric materials. The simulations conducted in this study consider the effect of on-site Coulomb interactions by incorporating the Hubbard U term within the GGA + U. Our findings contribute valuable insights that can facilitate further experimental investigations and provide comprehensive validation.