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Praseodymium oxide (Pr6O11) was embedded in the polyvinyl alcohol (PVA) matrix with different contents for the first time, using the casting method for preparation. Combining rare earth oxides with a polymer matrix has gained a lot of interest in optical applications lately. The impact of Pr6O11 on the PVA’s morphology and bandgap energy was our interest in the present study. PVA’s structure and morphology were determined via X-ray diffraction (XRD), Raman, Fourier transform infrared (FTIR), and scanning electron microscope (SEM) techniques. The XRD showed the influence of Pr6O11 on the characteristic peak of the PVA, indicating the change in the PVA’s structure and producing a new one. FTIR and Raman analyses demonstrated the combination and interaction between the Pr6O11 nanoparticles and the functional groups of the PVA. The optical constants were investigated through the absorbance data recorded from the UV–Visible spectrophotometer. The PVA’s bandgap energy (direct/indirect) was reduced to 4.51/2.13 eV, and the refractive index increased to 2.0902 after adding 4 wt.% Pr6O11 nanoparticles. Other optical parameters were determined and showed an improvement with the additive of Pr6O11 to the PVA matrix. The obtained matrix showed promising characteristics for optical materials applications. [ABSTRACT FROM AUTHOR]

The CaTiO3 has been extensively investigated as a highly promising optical material mostly for its optoelectronic properties and its function as a host for transition metals doped in the CaTiO3. Electronic and optical properties of CaTi1−xCuxO3 (2‐D and 3‐D) have been thoroughly analyzed using first‐principles calculations based on Density Functional Theory (DFT). The calculations of these properties in both 2‐D and 3‐D configurations have performed by the use of generalized gradient approximation plus Hubbard (GGA + U). The electronic characteristics including the electronic band structure, partial density of states, and total density of states have been meticulously computed for CaTi1−xCuxO3 in both 2‐D and 3‐D. Upon analyzing the obtained results, we investigated that conduction and valence bands overlapped for both 2‐D and 3‐D structures revealing the metallic nature. We observed transitions mainly attributed to Cu‐d, Ti‐d, Ti‐p, and O‐p orbitals in both 2‐D and 3‐D configurations. Discussion delves into the significance of electronic band structure calculations in understanding optical properties. Peaks in the energy loss function are observed at 13 eV in both cases referred to the plasmon energy. Static values of the dielectric functions, extinction coefficient, reflectivity, and refraction are also computed. Our obtained results showed that the CaTi1−xCuxO3 compound in 3‐D form is more apt for optoelectronic devices and UV‐LED applications. [ABSTRACT FROM AUTHOR]

The scourge of water pollution due to organic matter is a well-known fact. In order to address this issue, we employed a highly facile method of solid state reaction for the synthesis of bismuth potassium titanate, Bi0.5K0.5TiO3 (BKT) photocatalyst. Furthermore, the bandgap tailoring of the BKT is performed by photo-reduction of Ag onto the BKT, which results in the formation of hetero-structure junctions at the surface of the BKT. The as-prepared BKT and BKT-Ag photocatalysts are systematically characterized by x-ray diffraction, scanning electron microscopy, and high resolution transmission electron spectroscopy. Furthermore, the photocatalyst activity of the BKT and BKT-Ag was analyzed against the target organic pollutants by using UV–Vis spectroscopy. Three organic dyes such as methylene blue, eriochrome Black T, and methylene orange (MO) were used as target organic pollutants. The anchoring of Ag for the formation of hetero-structure junctions at the surface of BKT rendered it to be an ideal photo-catalyst with a bandgap reduction from 3.37 to 2.08 eV. Therefore, lowering the bandgap resulted in enhanced photocatalytic activity of the BKT-Ag. Among the three target dyes, BKT-Ag showed remarkable photo-degradation of MO and Erb T by degrading ≥90% of MO and Erb T in 120 min at neutral pH values. It is believed that BKT based photocatalysts can provide a unique platform for the removal of organic pollutants from wastewater. [ABSTRACT FROM AUTHOR]

A new biomimetic sensor (BS) has been prepared by modifying the carbon paste electrode (CPE) based on [Fe(NTB)Cl2]Cl·EtOH (FeC) {NTB = tris(2‐benzimidazolylmethyl)amine} for the electrochemical detection of acrylamide (AA). The development of the reported BS was focused on the creation of an AA with α‐NH2 group of N‐terminal valine of hemoglobin (HG), which reduces the peak current of HG‐Fe+3 reduction. The fabricated BS was characterized by scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV), as well as square wave voltammetry (SWV) for studying the electrochemical properties of AA on its surface. Under optimized conditions, the BS was applied for the direct determination of AA in two linear concentration ranges: 1.0 × 10−6 and 1.0 × 10−4 M. The first linear was observed from 1.0 × 10−6 to 1 × 10−5 M with a limit of detection (LOD) of 1.465 × 10−7 M, while the second linear part was detected from 1.0 × 10−5 to 1 × 10−4 M with LOD of 5.67 × 10−6 M. Finally, the constructed BS was successfully applied for the evaluation of AA in various potato chips, and the results were comparable to those obtained from other electrochemical methods. The density functional theory (DFT) could successfully explain the recognition process of acrylamide, that is, the hydroamination of the alkene group of acrylamide by imidazole moiety of the iron complex. [ABSTRACT FROM AUTHOR]