A comparative study of bismuth-based photocatalysts with titanium dioxide for perfluorooctanoic acid degradation

Bismuth-based material has been broadly studied due to their potential applications in various areas, especially used as promising photocatalysts for the removal of persistent organic pollutants (POPs) and several approaches have been adopted to tailor their features. Herein, the bismuth-based photocatalysts (BiOCl, BiPO₄, BiOPO₄/BiOCl) were synthesized by hydrothermal method and advanced characterization techniques (XRD, SEM, EDS elemental mapping, Raman and UV–vis DRS) were employed to analyze their morphology, crystal structure, and purity of the prepared photocatalysts. These synthesized photocatalysts offered a praiseworthy activity as compared to commercial TiO₂ (P25) for the degradation of model pollutant perfluorooctanoic acid (PFOA) under 254 nm UV light. It was interesting to observe that all synthesized photocatalysts show significant degradation of PFOA and their photocatalytic activity follows the order: bismuth-based catalysts > TiO₂ (P25) > without catalyst. Bismuth-based catalysts degraded the PFOA by almost 99.99% within 45 min while this degradation efficiency was 66.05% with TiO₂ under the same reaction condition. Our work shows that the bismuth-based photocatalysts are promising in PFOA treatment.     

Carbofuran: analytical methods and its determination in natural water samples by flow injection DPA(III)–H2SO4 chemiluminescence

This study proposes, a simple, rapid and sensitive chemiluminescent (CL) method for determination of carbofuran based on diperiodatoargentate(III) (DPA)-sulfuric acid (H₂SO₄) reaction coupled with flow injection (FI) methodology. Under optimum conditions, a linear standard curve is achieved in the range of 0.001–8.0 mg L^–1 (R²= 0.9994 (n = 11) with relative standard deviation (RSD) of 1.4–3.7% (n = 4)), a limit of detection (LOD) 5.0 × 10^–4 mg L^–1 (S/N = 3) and injection throughput 180 h^–1. The proposed method was applied satisfactorily for the analysis of carbofuran in freshwater samples using solid phase extraction (SPE) technique with the recoveries of 94–110% (% RSD = 1.7–3.8, n = 4). A possible CL reaction mechanism has also been discussed briefly.     

Viscosities and ultrasonic speeds of binary mixtures of benzene with triethylamine and tributylamine at different temperatures: An experimental and theoretical study

The viscosities, η, and ultrasonic speeds, u, of pure benzene, triethylamine, （TEA） tributylamine, （TBA）, and those of their binary mixtures, with benzene as common component, covering the whole composition range have been measured at 278.15 K, 283.15 K, 288.15 K, 293.15 K, 298.15 K, 303.15 K, 308.15 K, 313.15 K, and 318.15 K. From the experimental data the deviations in viscosity, △η, deviations in Gibbs free energy, AG, deviations in ultrasonic speed, △u, deviations in entropies, △S^＊, and deviations in enthalpies, △H^＊, of activation of viscous flow have been determined. The sign and magnitude of these parameters were found to be sensitive towards interactions prevailing in the studied systems. Further, the excess molar volumes, VE, were calculated using data for the binary mixtures. Moreover, theoretical values of viscosities and ultrasonic speeds of the binary mixtures were calculated using different empirical relations and theories. The results were in experimental and theoretical values. discussed in terms of average deviations （AD）     

Interplay of the Staggered and Three-Body Interaction Potentials on the Quantum Phases of a Spin-1 Ultracold Atom in an Optical Lattice

The interplay of the staggered and the three-body interaction potentials on the quantum phases of a spin-1 Bose Hubbard model using a mean field approximation (MFA) is studied. In the antiferromagnetic (AF) case, a smaller value of the staggered potential (SP) results in the charge and the spin density wave ordering along with the Mott insulator (MI) and the staggered superfluid (SSF) phases. While the competition between two types of the potential leads to the stabilization of the higher order MI and charge density wave (CDW) phases with increasing three-body interaction strength. Further, the spin eigenvalue and nematic order parameters are calculated to scrutinize the spin singlet-nematic formation in the MI and the CDW phases and spin population fractions to analyze the nature of the SSF phase. A signature of the spin density wave (SDW) pattern is also observed in the gapped phase lobes. In case of a purely three-body interaction, the third and higher order insulating lobes become dominant with increasing staggered potential strength. Subsequently, all MFA phase diagrams are then nicely corroborated with the analytical results obtained using a perturbative expansion corresponding to the AF and ferromagnetic cases.     

Fine-grid calculations for stellar electron and positron capture rates on Fe isotopes

The acquisition of precise and reliable nuclear data is a prerequisite to success for stellar evolution and nucleosynthesis studies. Core-collapse simulators find it challenging to generate an explosion from the collapse of the core of massive stars. It is believed that a better understanding of the microphysics of core-collapse can lead to successful results. The weak interaction processes are able to trigger the collapse and control the lepton-to-baryon ratio (Y _e ) of the corematerial. It is suggested that the temporal variation of Y _e within the core of a massive star has a pivotal role to play in the stellar evolution and a fine-tuning of this parameter at various stages of presupernova evolution is the key to generate an explosion. During the presupernova evolution of massive stars, isotopes of iron, mainly ^54–56Fe, are considered to be key players in controlling Y _e ratio via electron capture on these nuclides. Recently an improved microscopic calculation of weak-interaction-mediated rates for iron isotopes was introduced using the proton-neutron quasiparticle random-phase-approximation (pn-QRPA) theory. The pn-QRPA theory allows a microscopic state-by-state calculation of stellar capture rates which greatly increases the reliability of calculated rates. The results were suggestive of some fine-tuning of the Y _e ratio during various phases of stellar evolution. Here we present for the first time the fine-grid calculation of the electron and positron capture rates on ^54–56Fe. The sensitivity of the pn-QRPA calculated capture rates to the deformation parameter is also studied in this work. Core-collapse simulators may find this calculation suitable for interpolation purposes and for necessary incorporation in the stellar evolution codes.     

Thermal analysis and SANS characterisation of hybrid materials for biomedical applications

Silicate hybrid materials were prepared by the sol?Cgel process with the addition of x mass% of zirconium propoxide (x?=?0 and 1). The thermal behaviour as well as the influence of Zr addition was studied by thermal gravimetric analysis and differential thermal analysis. The microstructure evolution with temperature was investigated by X-ray diffraction and small-angle neutron scattering. It was found that the beginning of polymer degradation occurs at a higher temperature in the material prepared with addition of Zr than in the one prepared without. At the nanometric scale, the materials prepared without Zr show smooth interfaces, whereas those with Zr present a mass fractal structure. This structure is also observed in the material without Zr after thermal treatment at 200?°C. The results showed that bioactivity is favoured by mass fractal structures in comparison with one consisting of smooth surfaces.     

Ti3C2Tx-Modified PEDOT:PSS Hole-Transport Layer for Inverted Perovskite Solar Cells

PEDOT:PSS is a commonly used hole-transport layer (HTL) in inverted perovskite solar cells (PSCs) due to its compatibility with low-temperature solution processing. However, it possesses lower conductivity than other conductive polymers and metal oxides, along with surface defects, limiting its photovoltaic performance. In this study, we introduced two-dimensional Ti₃C₂T_x (MXene) as an additive in the PEDOT:PSS HTL with varying doping concentrations (i.e., 0, 0.03, 0.05, and 0.1 wt.%) to tune the electrical conductivity of PEDOT:PSS and to modify the properties of the perovskite film atop it. We noted that the grain size of the CH₃NH₃PbI₃ (MAPI₃) perovskite layer grown over an optimal concentration of MXene (0.03 wt.%)-doped PEDOT:PSS increased from 250 nm to 400 nm, reducing charge recombination due to fewer grain boundaries. Ultraviolet photoelectron spectroscopy (UPS) revealed increased work function (WF) from 4.43 eV to 4.99 eV with 0.03 wt.% MXene doping, making the extraction of holes easier due to a more favorable energy level alignment with the perovskite. Quantum chemical investigations based on density functional theory (DFT) were conducted at the ωB97XD/6-311++G(d,p) level of theory to provide more insight into the stability, bonding nature, and optoelectronic properties of the PEDOT:PSS–MXene system. The theoretical investigations revealed that the doping of PEDOT:PSS with Ti₃C₂T_x could cause a significant effect on the electronic properties of the HTL, as experimentally demonstrated by an increase in the electrical conductivity. Finally, the inverted PSCs employing 0.03 wt.% MXene-doped PEDOT:PSS showed an average power conversion efficiency (PCE) of 15.1%, up from 12.5% for a reference PSC employing a pristine PEDOT:PSS HTL. The champion device with a 0.03 wt.% MXene–PEDOT:PSS HTL achieved 15.5% PCE.     

Copper nanoparticles supported on 2‐methoxy‐1‐phenylethanone‐functionalized MCM‐41: An efficient and recyclable catalyst for one‐pot three‐component C–S coupling reaction of aryl halides with benzyl bromide and thiourea

An environmentally friendly copper‐based catalyst supported on 2‐methoxy‐1‐phenylethanone‐functionalized MCM‐41 was prepared and characterized by Fourier transform‐infrared, transmission electron microscopy, field emission‐scanning electron microscopy, X‐ray diffraction and inductively coupled plasma techniques. The catalyst was applied for the one‐pot three‐component C–S coupling reactions of aryl halides with benzyl bromide and thiourea under aerobic conditions to afford the corresponding coupled products in good yields in water. The catalyst could be recovered and recycled five times. These results prove 2‐methoxy‐1‐phenylethanone‐functionalized MCM‐41 supported Cu (II) complex was not leached during the reaction. Also it shows the correct heterogeneous nature of the catalyst.