This paper explores the potential application of titanium dioxide ( TiO_2 ) nanoparticles (NPs) to enhance the performance of Schottky barrier diode (SBD) made from vanadyl 2, 9, 16, 23-tetraphenoxy-29H, 31H-Phthalocyanine (VOPcPhO), a small-molecule organic semiconductor. The SBD is fabricated using a facile spin coating technique at ambient conditions by casting a 1:1 vol TiO_2 NPs in chloroform on pre-deposited Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) on an indium tin oxide (ITO) substrate. To analyze the electronic properties of the fabricated device, current–voltage ( I-V ) measurements are performed at 25 ^∘ C in dark conditions. The I-V characteristics of SBD displayed asymmetrical behavior with rectification ratio (RR) of 261 at ± 2.1 V for ITO/PEDOT:PSS/VOPcPhO– TiO_2 /Ag device which indicates the formation of a depletion region. Key electronic parameters such as charge carrier mobility ( μ ), barrier height ( ϕ _b ), series resistance ( R_s ), and ideality factor (n) are derived from the I-V curves. Norde’s and Cheung’s methods are also used to verify the consistency of these parameters. Significant improvements in the values of R_s , n and RR are observed in ITO/PEDOT:PSS/VOPcPhO– TiO_2 /Ag device compared to many other Schottky barrier diodes (SBDs). This enhancement is attributed to the incorporation of TiO_2 nanoparticles which provide high surface-to-volume ratio. Additionally, the conduction mechanism in the fabricated device is analyzed by focusing on Poole–Frenkel and Richardson Schottky effects. The paper also reports Ultraviolet–Visible spectroscopy (UV–Vis) to obtain optical bandgaps (1.9 and 3.4 eV), morphology such as atomic force microscopy (AFM) and scanning electron microscopy (SEM) for high-resolution surface investigation, X-ray diffraction (XRD) for the determination of material’s crystallinity and Fourier transformed infrared (FTIR) for functional group analysis of VOPcPhO– TiO_2 nanoparticles.

The new reaction between zinc(II) chloride and glutaconic acid (C5H6O4) was studied. The results indicate the formation of zinc(II) glutaconate complex with a molar ratio of metal to organic ligand (glutaconic acid) of 2:1 with the general formula [Zn-2(C5H4O4)(Cl)(2)(H2O)(2)].4H(2)O. The infrared spectrum of the glutaconate suggested that the two carboxylate groups are bidentate chelating. The current study uses a thermal breakdown approach to synthesize zinc oxide (ZnO) nanoparticles (NPs). The synthesized ZnO NPs were characterized using X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive X-ray analysis (EDAX), and Fourier transform infrared spectroscope (FTIR). The crystallite size was calculated using Scherer's formula, which was 54 nm. The degradation of hydrogen peroxide, or H2O2, solution was used to test the produced ZnO NPs' catalytic activity performance. The results showed that ZnO NPs could efficiently break down H2O2. The ZnO NPs' photocatalytic capabilities have been assessed using methylene blue (MB) and UV light in an aqueous solution, according to the data, 77% of photocatalytic degradation towards MB in 240 min occurs.

The current study addresses the corrosion issue for aluminum metal in alkaline solution (4.0 M NaOH) by employing a novel corrosion inhibitor, 6-amino-4-(4-hydroxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3c]pyrazole-5-carbonitrile (PYPY). Analyses techniques using the FTIR, NMR, HPLC, mass spectrometry (MS) and elemental analysis confirmed that the PYPY was successfully synthesized. Chemical, electrochemical, and quantum research are used to assess (PYPY)'s anti-corrosion characteristics. The data confirms that PYPY plays a significant role in preventing aluminum from corroding in NaOH solution. At 100 ppm, the maximum levels of inhibitory efficacy (92.5 %) were attained. The primary cause of PYPY's anti-corrosion properties is the propensity of PYPY to adsorb on the aluminium surface via its hetero atoms (O, N, and it-electron conjugation). Scanning electron microscopy (SEM) test results corroborated this. The actual adsorption occurs due to the synchronization of several active centres and physical and chemical processes with the calculated quantum parameters. Furthermore, PYPY adsorption follows the Langmuir isotherm.

Halide perovskites are a class of materials with excellent potential for solar cell applications due to their excellent optical and electronic properties.

Recently advances in perovskites materials have highlighted their exceptional photoelectric properties, sparked substantial scientific interest and felled effort to identify new perovskite variants with improved stability and environment friendliness. These materials are emerging as promising candidates for efficient solar light harvesting. In our study, we utilize first principle calculations grounded in Density Functional Theory (DFT) to explore the structural, electronic, mechanical, optical and thermoelectric characteristics of Rb2YCuX6 (X = Br, I) for advance solar cell and thermoelectric applications and support the advancement of environmentally sustainable perovskites materials. Materials with stable cubic perovskite structures are found to exhibit structural stability as determined by the tolerance factor. The thermodynamic stability is verified by computing the formation energy. Phonon dispersion curve is calculated to confirm the dynamic stability. The examination of electronic properties shows that for Rb2YCuBr6 and Rb2YCuI6 have semiconducting nature. Band gaps for Rb2YCuBr6 and Rb2YCuI6 have been determined to be 2.28 eV and 2.21 eV, respectively. Elastic constants measurement confirms the mechanical stability and reveals that they are anisotropic and ductile. In the visible and near-visible wavelength range, both materials exhibit strong optical absorption. Furthermore, we calculated the thermoelectric properties of both materials. The maximum Seebeck coefficient of 1.55 x 10(-3) V/K is found for both materials at room temperature. Based on the research, these materials may make the finest choices for thermoelectric and optoelectronic applications.

Three gold(III) nanostructured complexes of nicotinamide (nta), picolinic acid (pica), and isonicotinic acid (inta) were synthesized by the reacted of AuCl3 salt with nta, pica, and inta with 1:2 stoichiometry in the alcoholic medium. The solid products obtained were formulated by comparing experimental and calculated data for microanalytical (C, H, N) and metal. Both produce 1:2 compounds with metal ions. The prepared complexes were characterized by different physico-spectroscopic techniques. The FTIR, and H-1 NMR spectral analysis, morphological analysis (scanning electron microscopy SEM, transmittance TEM, and X-ray powder diffraction XRD) of these complexes have been discussed. The conductive behavior of the complexes indicates that all of them behave as electrolytic behavior. The mononuclear gold(III) complexes have formulated as [Au(nta)(2)(Cl)(2)].Cl, [Au(pica)(2)].Cl and [Au(nta)(2 ).Cl. The shifts of the nu(N-H) amino, nu(C=N) pyridine, and nu(C=O) carboxylic stretches have been monitored to find out the donor sites of the ligands. According to the experimental data, the three complexes can be characterized in the solid state as mononuclear, with a four-coordinate stereochemistry.

Metal-organic frameworks (MOFs) have unique properties that make them important in energy storage systems. The layered structure, edge locations, wide surface area, and closeness impact of MoS2/GQDs nanostructures enhance their ability for energy storage. We are effectively utilizing the hydrothermal technique to synthesize Fe@Ir-MOF/MoS2/GQDs, a new composite electrode material for supercapattery energy storage devices. Using a three-electrode setup, we are assessing the electrochemical performance of Fe@Ir-MOF, Fe@Ir-MOF/MoS2, and Fe@Ir-MOF/MoS2/GQDs. Fe@Ir-MOF/MoS2/GQDs is showing exceptional electrochemical qualities, demonstrating an excellent specific capacity of 1104C/g in an electrolyte solution containing 1 M KOH. The Ir@Fe-MOF/MoS2/GQDs is exhibiting energy and power density of around 53 W h kg(-1) and 2652 W kg(-1), respectively. A Coulombic efficiency of 92.23 % and 96.14 % of capacity are being maintained by the Fe@Ir-MOF/MoS2/GQDs//AC material after 5000 cycles of alternative GCD measurements. The results of this work are showing that supercapattery applications can benefit from the new electrode material Fe@Ir-MOF/MoS2/GQDs. The HER is having a lower potential barrier of 32.12 mV dec(-1) with a 130 mV overpotential at -10 mA cm(-2) due to the Fe@Ir-MOF/MoS2/GQDs composite. This work is providing a way to develop effective bimetallic MOFs nanocomposite materials for use in biomedical and future energy storage systems.

Supercapacitor offers high power density and quick charge/discharge speed. Herein, a cobalt-metal organic framework (Co-MOF) is synthesized, and the chemical structure is investigated via XRD, FTIR, XPs, and SEM-EDX. Photoluminescence and diffuse reflectance spectroscopy measurements determine the optical properties and band gap. The band gap of Co-MOF is calculated and found to be 1.94 eV, indicating its capability to be applied as a supercapacitor. Carbon nanotubes (CNTs) and functionalized carbon nanotubes (FCNTs) are mixed with Co-MOF to form CNTs@Co-MOFs and FCNTs@Co-MOFs, respectively. The performance of these MOFs as supercapacitors is evaluated using electrochemical measurements. According to the analysis of the super capacitance of the synthesized compounds, FCNTs@Co-MOF shows the highest specific supercapacitance of 454 F g(-1), whereas Co-MOF and CNTs@Co-MOF have 263 F g(-1) and 338 F g(-1), respectively. Besides, the semi-empirical quantum method is used to assess the relationship between the electronic and the experimental data. Experimental and theoretical results recommended the usage of the investigated MOFs as superior supercapacitors.

The main objective of this study is to determine how effectively the ammonium ionic liquid (tris(2 hydroxyethyl) methyl ammonium methylsulfate [THMA]+[MS]- works in minimizing parasitic reactions during Al-air battery discharge. The findings obtained indicate that the use of [THMA]+[MS]- reduced the rate of hydrogen gas output during the immersion of Al substrate in the 4.0 M KOH solution. The effectiveness of the ammonium ionic liquid under comparable conditions is confirmed using the linear cathodic polarization method. The addition of [THMA]+[MS]- to a pure 4.0 KOH solution improved the anodic efficiency and capacity density of the battery. Aside from being a novel study for [THMA]+[MS]- as electrolyte battery additives, theoretical research were employed to analyze the mechanism and data interpretation. Molecular dynamics (MD) simulations of inhibitorAl interactions performed with Forcite's Materials Studio module add to the data that ammonium ionic [THMA]+[MS]- may suppress the parasite process. SEM, EDX, and X-ray Photoelectron Spectrometer (XPS) tests for Al electrodes under different circumstances following battery discharge at 20 mA cm-2 support the performance of [THMA]+[MS]-.

Perovskites are emerging as key materials for spintronic and optical applications due to their outstanding performance, stability and eco-friendliness. In this work, a first-principles approach is employed to extensively analyze the structural, optoelectronic, and elastic properties of TlTiBr3 and TlZrBr3 perovskite compounds. Structural analysis confirms thier stability in the Fm3̅m (221) space group, while dynamic stability is verified through phonon dispersion curves, showing that both materials are dynamically stable. Electronic properties reveals that TlTiBr3 and TlZrBr3 exhibits half metallic nature, further confirmed by density of states. The mechanical stability, anisotropy, and ductility of the compounds are derived from the obtained elastic constants, indicating that both materials are mechanically stable and have anisotropic nature. Moreover, the optical properties suggest weak absorption and conductivity. Whereas, they show high reflectivity in the energy range of 5 eV to 16 eV. They reflect more than 45

Current research investigated the performance of phosphor-silicate glasses as gamma-ray shields. The mass attenuation coefficients (mu/rho) of the chosen glasses were determined using the both Phy-x/PSD and WinXcom codes. From the results obtained, both approaches yield (mu/rho) values that are found to be in good agreement with each other. These values are then used to compute the half-value layer, effective atomic number, mean free path, and energy exposure buildup factors. Taken from the results, the EBFs for the current glasses were observed to be small in the low energy region (in order of unity at E 1/4 0.015 MeV) and then reach maximum value for all glasses at 40 mfp in the high-photon energy region. The obtained results have been contrasted with that of window glasses and a few common shielding concretes. It was found that the chosen glasses are highly effective in gamma shielding applications, as indicated by the lower mean free path values.

In this study, a high-density ZrN/ZrSi2 composite reinforced with ZrO2 as an inert phase was synthesized under vacuum starting with a Zr-Si4N3-ZrO2 blend using combustion-synthesis methodology accompanied by compaction. The effects of ZrO2 additions (10–30 wt%) and compression loads (117–327 MPa) on the microstructure, porosity and hardness of the samples were studied. The process was monitored using XRD, SEM, EDS, porosity, density and hardness measurements. Thermodynamic calculations of the effect of ZrO2 addition on the combustion reaction were performed including the calculation of the adiabatic temperatures and the estimation of the fractions of the liquid phase. The addition of up to 20 wt% ZrO2 improved the hardness and reduced the porosity of the samples. Using 20 wt% ZrO2, the sample porosity was reduced to 1.66 vol%, and the sample hardness was improved to 1165 ± 40.5 HV at 234 MPa.

The inhibitory mechanism of four ionic liquids (ILs) generated from imidazolium is reported in this study. The goal of the research was to see how the cation structure of ILs affected the corrosion inhibition of carbon steel in 1 M HCl. The chemical structure of ILs was verified by elements analysis, Fourier-transform-infrared (FTIR), thermo gravimetric (TGA), nuclear magnetic resonance ((HNMR)-H-1, D2O, C-13 NMR) and hetero-nuclear single-quantum correlation (HSQC). The inhibitory efficiency was measured using mass loss and electrochemical tests and varied from 62.5% to 97.2%. The Langmuir model accurately defined their adsorption on a steel substrate. Adsorption of novel ILs on steel substrates is a mixed physisorption and chemisorption method. To ensure the mechanism of adsorption of current ionic liquids, FTIR and ultraviolet (UV) spectra were employed. (C) 2022 Elsevier B.V. All rights reserved.

This paper describes the corrosion inhibiting action of four new imidazolium-derived ionic liquids (ILs). Elements analysis, Infrared, TGA, H-1-C-13 NMR, XRD and HSQC-NMR were used to confirm the molecular formula of ILs. The corrosion suppressive effectiveness was calculated using loss of mass and electrochemical experiments and ranged from 53 to 96%. Their adsorption on a steel substrate was precisely characterized using the Langmuir isotherm. Gibbs free energies vary from 35.24 kJ mol(-1) to 41.82 kJ mol(-1), indicating that ILs are adsorbing via physi-chemisorption scenario. SEM/EDX and FTIR were used to validate the process of adsorption of ionic liquids.(c) 2022 Elsevier B.V. All rights reserved.

Electrolytic hydrogen production needs heavy-duty electrocatalyst to lower the overpotential to economical values. With this respect, we scrutinized the effect of pH on the phase formation, microstructure and hydrogen production activity of ZrO2 generated under hydrothermal processing. At both low and high pHs (2.61 and 14) the products are single phase monoclinic ZrO2. However, at intermediate pHs (7.0-11.0), the produces are biphasic mixture of tetragonal and monoclinic nano crystallites. The particles size slightly increases (from 11 to 14 nm) with increasing the pH up to 11. However, at pH=14.0, the particle size abruptly increases to 98 nm. The vibration spectra demonstrated that monoclinic ZrO2 comprise intense surface hydroxyl functional groups, that enhance the electrocatalytic activity of ZrO2 nanoparticles. Thus, the hydrogen evolution activity increases with increasing the monoclinic phase contents. Zr02 produced at low pH (2.61) showed the highest electrocatalytic activity.

Nickel ferrite (NiFe2O4) is a promising material for electrochemical supercapacitors among many metal ferrites. However, the low specific capacitance of NiFe2O4 limits its application. We present a new high-performance supercapacitor based on a nanocomposite material of NiFe alloy-graphene nanosheets (NiFe-A@GNS). We prepared NiFe2O4 nanoparticles using a simple liquid fusion method and used as a catalyst substrate for the chemical vapor deposition (CVD) synthesis of NiFe-A@GNS nanocomposite material. According to the XRD, TEM, SEM and Raman results, high-quality, crystalline, and graphitized GNS was successively composited with NiFe-A nanoparticles. Therefore, both pristine NiFe2O4 and the new composite material were evaluated as electrodes for supercapcitors. In the case of NiFe-A@GNS nanocomposite, we report a 3.2-fold increase in specific capacitance (845 F g 1) when compared to the pristine NiFe2O4 (264 F g (1)). Furthermore, after 5000 cycles, the NiFe-A@GNS electrode retains 94.3% of its capacity, making it more stable than the NiFe2O4 electrode (62% after 2000 cycles). At 1.0 A g(-1) current density, the NiFe-A@GNS device has a high energy density (30.8 Wh kg(-1)) and a high power density (620 W kg(-1)). The synergistic effects of NiFe-A and graphene nanosheets, as well as the excellent surface characteristics, are the keys to the high performance of NiFe-A@GNS electrodes. Our design offers a promising method for developing high-performance supercapacitor devices.

This study set out to determine the effectiveness of birch leaves extract (BLE) as a corrosion inhibitor against X52 pipeline steel in the pickling solution. Chemical and electrochemical techniques, as well as scanning electron microscope (SEM), Fourier-transform infrared (FT-IR), and adsorption isotherms were used in the research. Various triterpenoids, including betulin, betulinic acid, oleanolic acid, sitosterol, and kaempferol, are unquestionably involved in the corrosion inhibition mechanism, according to the high-performance-liquid-chromatography (HPLC) analysis. The 95% efficiency of the produced BLE extract (at optimum concentration 400 mg L-1) significantly reduced the corrosion rate of X52 pipeline steel in the pickling solution. The adsorption of BLE extract molecules on the X52-steel surface was demonstrated by SEM and FT-IR analysis. The adsorption activity follows the Langmuir adsorption theory.

The new group of ionic liquids based on imidazole molecule has been considered as promising anti-corrosion additives (admixed additives) to protect the steel rebars in the cement pore solution. In this paper, four new ionic liquids based on imidazole molecule are synthesized and characterized. Herein, the corrosion prevention properties of new ionic liquids are explored by chemical and electrochemical tests. The electrochemical tests proved that the new ionic liquids hinder both the cathodic and anodic processes and increase the corrosion resistance. The mass loss tests indicated that the performance capabilities of the synthesized ionic liquids are between 76% and 95%. Here, the new compounds reduce the corrosion of the steel rebars in the cement pore solution. This situation depends on the type of cation and the concentrations of ionic liquids. The responsibility of ionic liquids as anti-corrosion additives is centered on their adsorption ability. Langmuir isotherm is the best isotherm for the adsorption process. The obtained Gibbs free energies point to chemi-physisorption of ionic liquids.

In electrochemical energy storage systems, Li-ion batteries have drawn considerable interest. However, the corrosion of the aluminum current collector in the LiN(SO2CF3)2 electrolyte has a major effect on battery efficiency. To protect the current collector from the corrosive action of the LiN(SO2CF3)2 electrolyte, new nanocomposites based on Ni(II)tetrakis[4-(2,4-bis-(1,1-dimethyl-propyl)-phenoxy)]phthalocyanine (Ni-Pc) and polyaniline matrix (PANI) (i.e. PANI@Ni-Pc composites) are coated on the aluminum current. SEM, XRD, and EDS were used to characterize the PANI@Ni-Pc composite. This method represents a novel approach to the production of Li-ion batteries. Electrochemical tests show that the PANI@Ni-Pc composites can protect aluminum from corrosion in LiN(SO2CF3)2. The output of PANI@Ni-Pc composites is influenced by the Ni-Pc concentration. The composite PANI@Ni-Pc is a promising way forward to build high-stability Li-Ion batteries.

Epoxy nanocomposite coatings are an essential way to protect petroleum storage tanks from corrosion. For this purpose, the new nanocomposite epoxy coatings (P-M/epoxy composites) have been successfully designed. The P-M/epoxy composites are based on the metal vanadium oxy-phosphate M0.5VOPO4 (where M=Mg, Ni, and Zn). The function of P-M/epoxy composites as anti-corrosion coatings was explored using electrochemical and mechanical tests. Using electrochemical impedance spectroscopy (EIS), it has been noticed that the pore resistance and polarization resistance of the P-M/epoxy composites remain higher as compared to the neat epoxy. The P-M/epoxy composites have the greatest impact on the cathodic dis-bonded area and water absorption. Besides, P-M/epoxy composites exhibit a very high order of mechanical properties. Further, Mg0.5VOPO4 has the greatest effect on the anti-corrosion properties of epoxy coating followed by Zn0.5VOPO4 and Ni0.5VOPO4. All these properties lead to developing effective anti-corrosion coatings. Thus, the net result from this research work is highly promising and provides a potential for future works on the anti-corrosion coating.