Modified NiFe2O4-Supported Graphene Oxide for Effective Urea Electrochemical Oxidation and Water Splitting Applications.

The production of green hydrogen using water electrolysis is widely regarded as one of the most promising technologies. On the other hand, the oxygen evolution reaction (OER) is thermodynamically unfavorable and needs significant overpotential to proceed at a sufficient rate. Here, we outline important structural and chemical factors that affect how well a representative nickel ferrite-modified graphene oxide electrocatalyst performs in efficient water splitting applications. The activities of the modified pristine and graphene oxide-supported nickel ferrite were thoroughly characterized in terms of their structural, morphological, and electrochemical properties. This research shows that the NiFe2O4@GO electrode has an impact on both the urea oxidation reaction (UOR) and water splitting applications. NiFe2O4@GO was observed to have a current density of 26.6 mA cm-2 in 1.0 M urea and 1.0 M KOH at a scan rate of 20 mV s-1. The Tafel slope provided for UOR was 39 mV dec-1, whereas the GC/NiFe2O4@GO electrode reached a current of 10 mA cm-2 at potentials of +1.5 and -0.21 V (vs. RHE) for the OER and hydrogen evolution reaction (HER), respectively. Furthermore, charge transfer resistances were estimated for OER and HER as 133 and 347 Ω cm2, respectively.

First mesomorphic and DFT characterizations for 3- (or 4-) n-alkanoyloxy benzoic acids and their optical applications.

New liquid crystalline hydrogen bonded 3- (or 4)-n-alkanoyloxy benzoic acids were synthesized and probed theoretically and experimentally. The molecular structures of these compounds were elucidated by proton NMR, carbon-13 NMR and elemental analyses. Differential scanning calorimetry (DSC) was used to investigate the thermal and mesomorphic properties of all the symmetrical dimers that bearing identical alkanoyloxy chains. Moreover, polarized optical microscopy (POM) was used to determine their mesophases. The findings show that all the designed symmetrical dimers exhibit the smectic mesophase with relative thermal stability that depends on the length of their terminal side chain. Additionally, the experimental findings of the mesomorphic behavior are further supported by DFT calculations. The alkanoyloxy benzoic acid para-derivatives (In) were shown to be more stable than their meta-substituted (IIn) analogues due to stronger hydrogen bonding interactions. The computed reactivity parameters showed that the position of ester moiety has a significant impact on the acids reactivity. The absorbance spectra of both the 3- (or 4)-n-alkanoyloxy benzoic acids revealed a blue shift with the increment of the of alkyl chain size; however, the energy band gaps of 3-n-alkanoyloxy benzoic derivatives were found to be slightly higher than those of the 4-n-alkanoyloxy benzoic acids. Moreover, the photoluminescence spectrum of the prepared materials is rather broad, and exhibited a red shift as the alkyl chain length increases. The fluorescence lifetime shown to rise as alkyl chain length grows longer, and 3-n-alkanoyloxy benzoic acids have slightly longer lifetime compared to their 4-n-alkanoyloxy benzoic analogues.

Chitosan Supports Boosting NiCo2O4 for Catalyzed Urea Electrochemical Removal Application.

Currently, wastewater containing high urea levels poses a significant risk to human health. Else, electrocatalytic methodologies have the potential to transform urea present in urea-rich wastewater into hydrogen, thereby contributing towards environmental conservation and facilitating the production of sustainable energy. The characterization of the NiCo2O4@chitosan catalyst was performed by various analytical techniques, including scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Furthermore, the activity of electrodes toward urea removal was investigated by several electrochemical techniques. As a function of current density, the performance of the modified NiCo2O4@chitosan surface was employed to remove urea using electrochemical oxidation. Consequently, the current density measurement was 43 mA cm-2 in a solution of 1.0 M urea and 1.0 M KOH. Different kinetic characteristics were investigated, including charge transfer coefficient (α), Tafel slope (29 mV dec-1), diffusion coefficient (1.87 × 10-5 cm2 s-1), and surface coverage 4.29 × 10-9 mol cm-2. The electrode showed high stability whereas it lost 10.4% of its initial current after 5 h of urea oxidation.

Physical and Thermal Characterizations of Newly Synthesized Liquid Crystals Based on Benzotrifluoride Moiety.

The mesomorphic stability and optical activity of new group-based benzotrifluoride liquid crystals, (E)-4-(((4-(trifluoromethyl) phenyl) imino) methyl) phenyl 4-(alkyloxy)benzoate, or In, were investigated. The end of the molecules connected to the benzotrifluoride moiety and the end of the phenylazo benzoate moiety have terminal alkoxy groups which can range in chain length from 6 to 12 carbons. The synthesized compounds' molecular structures were verified using FT-IR, 1H NMR, mass spectroscopy, and elemental analysis. Mesomorphic characteristics were verified using differential scanning calorimetry (DSC) and a polarized optical microscope (POM). All of the homologous series that have been developed display great thermal stability across a broad temperature range. Density functional theory (DFT) determined the examined compounds' geometrical and thermal properties. The findings showed that every compound is entirely planar. Additionally, by using the DFT approach, it was possible to link the experimentally found values of the investigated compounds' investigated compounds' mesophase thermal stability, mesophase temperature ranges, and mesophase type to the predicted quantum chemical parameters.

Zinc Nanocomposite Supported Chitosan for Nitrite Sensing and Hydrogen Evolution Applications.

Nanoparticles of ZnO-Chitosan (Zn-Chit) composite were prepared using precipitation methods. Several analytical techniques, such as scanning electron microscope (SEM), transmitted electron microscope (TEM), powder X-ray diffraction (XRD), infrared spectroscopy (IR), and thermal analysis, were used to characterize the prepared composite. The activity of the modified composite was investigated for nitrite sensing and hydrogen production applications using various electrochemical techniques. A comparative study was performed for pristine ZnO and ZnO loaded on chitosan. The modified Zn-Chit has a linear range of detection 1-150 µM and a limit of detection (LOD) = 0.402 µM (response time ~3 s). The activity of the modified electrode was investigated in a real sample (milk). Furthermore, the anti-interference capability of the surface was utilized in the presence of several inorganic salts and organic additives. Additionally, Zn-Chit composite was employed as an efficient catalyst for hydrogen production in an acidic medium. Thus, the electrode showed long-term stability toward fuel production and enhanced energy security. The electrode reached a current density of 50 mA cm-2 at an overpotential equal to -0.31 and -0.2 V (vs. RHE) for GC/ZnO and GC/Zn-Chit, respectively. Electrode durability was studied for long-time constant potential chronoamperometry for 5 h. The electrodes lost 8% and 9% of the initial current for GC/ZnO and GC/Zn-Chit, respectively.

Polyaniline-Supported Nickel Oxide Flower for Efficient Nitrite Electrochemical Detection in Water.

A modified electrode with conducting polymer (Polyaniline) and NiO nanoflowers was prepared to detect nitrite ions in drinking water. A simple method was used to prepare the NiO nanoflower (NiOnF). Several techniques characterized the as-prepared NiOnF to determine the chemical structure and surface morphology of the NiO, such as XRD, XPS, FT-IR, and TGA. The activity of the electrode toward nitrite sensing was investigated over a wide range of pH (i.e., 2 to 10). The amperometry method was used to determine the linear detection range and limit. Accordingly, the modified electrode GC/PANI/NiOnf showed a linear range of detection at 0.1-1 µM and 1-500 µM. At the same time, the limit of detection (LOD) was 9.7 and 64 nM for low and high concentrations, respectively. Furthermore, the kinetic characteristics of nitrite, such as diffusion and transport coefficients, were investigated in various media. Moreover, the charge transfer resistance was utilized for nitrite electrooxidation in different pH values by the electrochemical impedance technique (EIS). The anti-interfering criteria of the modified surfaces were utilized in the existence of many interfering cations in water (e.g., K+, Na+, Cu2+, Zn2+, Ba2+, Ca2+, Cr2+, Cd2+, Pd2+). A real sample of the Nile River was spiked with nitrite to study the activity of the electrode in a real case sample (response time ~4 s). The interaction between nitrite ions and NiO{100} surface was studied using DFT calculations as a function of adsorption energy.

Mesomorphic, Computational Investigations and Dyeing Applications of Laterally Substituted Dyes.

Two groups of laterally substituted non-mesomorphic and liquid crystalline materials bearing monoazo group were prepared and investigated via experimental and theoretical techniques. The molecular structures of the designed dyes were evaluated by FT-IR and NMR spectroscopic analyses. Mesomorphic examinations for all synthesized dyes were investigated by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). Results revealed that, the thermal and optical properties of investigated compounds are mainly dependent on their molecular geometry. The optimized geometries of the azo derivatives and their electronic absorption of the dyes were carried out using the B3LYP/6-311G level of the DFT method. The azo dyes were measured for their dyeing performance on polyester fabrics. The dyed fabrics have excellent fastness properties with a color strength of 1.49-3.43 and an exhaustion rate of 82-64%. The chemical descriptor parameters of disperse azo dyes in gas phase were calculated and correlated with dyeing parameters.

Novel Imidazole Liquid Crystals; Experimental and Computational Approaches.

The liquid crystalline materials named (E)-4-(2-(4-oxo-5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazineylidene)methyl)phenyl and 4-(alkoxy)benzoate, In, were synthesized and their mesomorphic behaviors were examined. The chemical structures of the produced compounds were confirmed by Fourier-transform infrared spectroscopy (FT-IR), NMR, and elemental analysis. Differential scanning calorimetry (DSC) and polarized optical microscopy were used to investigate the mesomorphic properties of designed heterocyclic derivatives. All the compounds tested had suitable thermal stability and enantiotropic behavior of smectogenic temperature ranges. Furthermore, the enantiotropic smectic C phases were observed to cover all the homologues. Moreover, computational investigations corroborated the experimental findings of the mesomorphic behavior. The reactivity parameters were computed for the derivatives and linked with the experimental data. Theoretical calculations revealed that the polarizability of the studied series increases with the chain length, whereas the HOMO-LUMO energy gap or other reactivity descriptors were less sensitive to the size of the system. On the other hand, the predicted thermodynamic parameters revealed the size dependence of thermal stability of the compounds.

Wide Nematogenic Azomethine/Ester Liquid Crystals Based on New Biphenyl Derivatives: Mesomorphic and Computational Studies.

The thermal stability and mesomorphic behavior of a new biphenyl azomethine liquid crystal homologues series, (E)-4-(([1,1'-biphenyl]-4-ylmethylene)amino)phenyl 4-(alkoxy)benzoate, In, were investigated. The chemical structures of the synthesized compounds were characterized using FT-IR, NMR, and elemental analyses. Differential scanning calorimetry (DSC) and polarized optical microscopy were employed to evaluate the mesomorphic characteristics of the designed homologues. The examined homologues possessed high thermal stability and broad nematogenic temperature ranges. Furthermore, the homologues were covered by enantiotropic nematic phases. The experimental measurements of the mesomorphic behavior were substantiated by computational studies using the density functional theory (DFT) approach. The reactivity parameters, dipole moments, and polarizability of the studied molecules are discussed. The theoretical calculations demonstrated that as the chain length increased, the polarizability of the studied series increased; while it did not significantly affect the HOMO-LUMO energy gap and other reactivity descriptors, the biphenyl moiety had an essential impact on the stability of the possible geometries and their thermal as well as physical parameters.

Experimental and Theoretical Investigations of Three-Ring Ester/Azomethine Materials.

New three-ring ester/azomethine homologues series, (E)-4-((4-hydroxybenzylidene)amino)phenyl 4-(alkoxy)benzoate In, were prepared and their properties were investigated experimentally and theoretically. FT-IR, NMR, and elemental analyses were used to confirm the chemical structures of the synthesized compounds. The mesomorphic activities of the planned homologues were evaluated using differential scanning calorimetry (DSC) and polarized optical microscopy. All of the homologous examined were found to have non-mesomorphic properties. Theoretical calculations using the density functional theory (DFT) were used to validate the experimental data and determine the most stable conformation of the synthesized compounds. All calculated conformers' thermal properties, dipole moments, and polarizability were discussed. The results show that the terminal alkoxy chain length affects the thermal parameters of the conformers. The correlations between these parameters' values and the conformer type were demonstrated. The base component was expected to be in two conformers according to the orientation of the N atom of imine-linkage. DFT calculations revealed the more probable of the two possible conformers, and the incorporation of the alkoxy terminal chain in one position affect its geometrical and mesomerphic characteristics.

New Advanced Liquid Crystalline Materials Bearing Bis-Azomethine as Central Spacer.

In this study, a homologous series of novel liquid crystalline compounds bearing the bis-azomethine central linkage (-CH=N-N=CH-), namely ((1E,1'E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(4,1-phenylene) dialkanoate (In), was synthesized, and the mesophase and thermal properties were investigated theoretically and experimentally. The molecular structures of the prepared compounds were determined using elemental analysis, NMR, and FT-IR spectroscopy. The mesophase transitions were detected by differential scanning calorimetry (DSC), and the mesophases were identified using polarized optical microscopy (POM). The results indicated that the derivative with the shortest length (I5) was purely nematogenic, while the other homologues (I9 and I15) possessed SmC mesophases. The optimal geometrical structures of the investigated group were derived theoretically. The estimated results demonstrated that all homologues were mesomorphic, and their type depended on the length of the terminal chains. Computations based on density functional theory (DFT) were used to explain the experimental data. The calculated dipole moment, polarizability, thermal energy, and molecular electrostatic potential all showed that it was possible to predict the mesophase type and stability, which varied according to the size of the molecule.

Multifunctional leather surface embedded with zinc oxide nanoparticles by pulsed laser ablation method.

A simple procedure was used to generate and decorate leather structures with different amounts from zinc oxide (ZnO) nanoparticles to produce multifunctional leather structure by pulsed laser ablation method in liquid media based on changing the ablation time in just one-pot method. The impact of varying concentrations of ZnO nanoparticles embedded on the surface of leather on water resistance, water vapor permeability, mechanical characteristics, and UV-shielding efficiency was examined by different characterization techniques like X-ray diffraction, surface area, UV-visible spectroscopy, scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. The results showed that the combination between the external functional groups of leather with ZnO nanoparticles was discovered. ZnO nanoparticles effectively coated the surface of leather tissue, as seen by SEM images, and their form a spherical morphology. Leather with ZnO nanoparticles added had the highest capacity to kill Escherichia coli bacteria, exceeding leather without modification and ZnO nanoparticles alone in 50-hr incubation. In addition, the incubation period had a substantial impact on the suppression of Staphylococcus aureus bacteria growth by leather samples.

Polymorphic Phases of Supramolecular Liquid Crystal Complexes Laterally Substituted with Chlorine.

New supramolecular complexes, based on H-bonding interactions between 4-(pyridin-4-yl) azo-(2-chlorophenyl) 4-alkoxybenzoates (Bn) and 4-[(4-(n-hexyloxy)phenylimino)methyl]benzoic acid (A6), were prepared and their thermal and mesomorphic properties investigated via differential scanning calorimetry (DSC) and Fourier-transform infrared spectroscopy (FT-IR) in order to confirm their H-bonding interactions. The mesophase behavior of each mixture was examined by DSC and polarized optical microscopy (POM). According to the findings of the study, in all of the designed mixtures, the introduction of laterally polar chlorine atom to the supramolecular complexes produces polymorphic compounds possessing smectic A, smectic C and nematic mesophases, in addition, all products have low melting transitions. Thermal stabilities of the associated phases depend on the position and orientation of the lateral polar Cl- atom as well as the length of terminal flexible alkoxy chain. Comparisons were made between the present lateral Cl- complexes and previously investigated laterally-neat complexes in order to investigate the impact of the addition, nature and orientation of polar substituent on the mesomorphic behavior. The investigations revealed that, the polarity and mesomeric nature of inserted lateral substituent into the base component play an essential role in affecting their mesomorphic properties. Furthermore, for current complexes, induced polymorphic phases have been found by introducing the chlorine atom.

Synthesis, Phase Behavior and Computational Simulations of a Pyridyl-Based Liquid Crystal System.

A homologous set of liquid crystalline materials (Tn) bearing Schiff base/ester linkages were prepared and investigated via experimental and theoretical techniques. Terminal flexible groups of different chain lengths were connected to the end of phenylbenzoate unit while the other end of molecules was attached to the heterocyclic pyridine moiety. The molecular structures of the designed molecules were evaluated by FT-IR, NMR spectroscopic analyses, whereas their mesomorphic properties were investigated by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). They all exhibited dimorphic properties with the exception of the members having the shortest and longest terminal flexible chains (n = 6 and 16), which were monomorphic. The T16 derivative was further found possessing purely smectic A (SmA) mesophase while others have their lengths covered by nematic (N) phase. Moreover, the computational evaluation of the azomethine derivatives was carried out using a DFT approach. The polarity of the investigated derivatives was predicted to be appreciably sensitive to the size of the system. Furthermore, the Frontier molecular orbitals analysis revealed various distributions of electron clouds at HOMO and LUMO levels.

Synthesis, Mesomorphic, and Solar Energy Characterizations of New Non-Symmetrical Schiff Base Systems.

New asymmetrical Schiff base series based on lateral methoxy group in a central core, (E)-3-methoxy-4-(((4-methoxyphenyl)imino)methyl)phenyl 4-alkoxybenzoate (An), were synthesized and their optical and mesomorphic characteristics were investigated. The lateral OCH3group was inserted in the central ring in ortho position with respect to the azomethine linkage. FT-IR, and NMR spectroscopy as well as elemental analyses were used to elucidate their molecular structures. Their mesomorphic behaviors were characterized by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). These examinations indicated that all the designed series were monomorphic and possessed nematic (N) mesophase enantiotropically, except A12 derivative which exhibited monotropic N phase. A comparative study was made between the present investigated series (An) and their corresponding isomers (Bn). The results revealed that the kind and stability of the mesophase as well as its temperature range are affected by the location and special orientation of the lateral methoxy group electric-resistance, conductance, energy-gap, and Urbach-energy were also reported for the present investigated An series. These results revealed that all electrodes exhibit Ohmic properties and electric-resistances in the GΩ range, whereas the electric resistance was decreased from 221.04 to 44.83 GΩ by lengthening the terminal alkoxy-chain to n = 12. The band gap of the An series was reduced from 3.43 to 2.89 eV by increasing the terminal chain length from n = 6 to n = 12 carbons. Therefore, controlling the length of the terminal chain can be used to improve the An series' electric conductivity and optical absorption, making it suitable for solar energy applications.

Induced Nematic Phase of New Synthesized Laterally Fluorinated Azo/Ester Derivatives.

A new series of laterally fluorinated mesomorphic compounds, namely 2-fluoro-4-((4-(alkyloxy)phenyl)diazenyl)phenyl 4-substitutedbenzoate (Inx) were prepared and evaluated for their mesophase behavior. The synthesized series constitutes five members that possess different terminally attached polar groups (X). Their molecular structures were confirmed by elemental analyses and both FT-IR and NMR spectroscopy. Examination of the prepared derivatives was conducted via experimental and theoretical tools. Mesomorphic investigations were carried by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). DSC and POM measurements indicated that except for the un-substituted analogue, all other derivatives were purely nematogenic, possessing their nematic (N) mesophase enantiotropically. This is to say that insertions of terminal polar substituents on their mesogenic structures induced the N phase. In addition, the location of lateral and terminal polar moieties played a considerable role in achieving good thermal N stability. Computational calculations were investigated to determine the deduced optimized molecular structures. Theoretical data indicated that both size and polarity of the terminal substituent (X) have essential impact on the thermal parameters and optical properties of possible geometries.

Synthesis of Ag Nanoparticles-Decorated CNTs via Laser Ablation Method for the Enhancement the Photocatalytic Removal of Naphthalene from Water.

Silver nanoparticles (Ag NPs) were decorated with different amounts on the exterior walls of carbon nanotubes (CNTs) by a laser ablation assisted method, especially in liquid media to be applied as a good adsorption material against naphthalene. The laser ablation time was controlled the amount of decoration Ag NPs on CNTs. The prepared nanocomposite was analyzed via different analytical techniques. Ag NPs with a small size distribution of 29 nm are uniformly decorated with spherical shape on CNTs walls. The disorder degree of tubular structure and shifting of the vibrational characteristic peaks increase with the increase in the decoration of Ag NPs. After that, the prepared samples were investigated for the removal of naphthalene. These studies of loading Ag NPs with different amounts on the surface of CNTs act as a promising material for water treatment.

Optical investigations and photoactive solar energy applications of new synthesized Schiff base liquid crystal derivatives.

New homologues series of liquid crystalline materials namely, (E)-3-methoxy-4-[(p-tolylimino)methyl]phenyl 4-alkloxybenzoates (I-n), were designed and evaluated for their mesomorphic and optical behavior. The prepared series constitutes three members that differ from each other by the terminally attached alkoxy chain group, these vary between 6 and 12 carbons. A laterally OCH3 group is incorporated into the central benzene ring in meta position with respect to the ester moiety. Mesomorphic characterizations of the prepared derivatives are conducted using differential scanning-calorimetry (DSC), polarized optical-microscopy (POM). Molecular structures were elucidated by elemental analyses and NMR spectroscopy. DSC and POM investigations revealed that all the synthesized derivatives are purely nematogenic exhibiting only nematic (N) mesophase, except for the longest chain derivative (I-12) that is dimorphic possesses smectic A and N phases. Moreover, all members of the group have a wide mesomorphic range with high thermal nematic stability. A comparative study was established between the present derivative (I-6) and their previously prepared isomer. The results indicated that the location exchange of the polar compact group (CH3) influences the N mesophase stability and range. The electrical measurements revealed that all synthesized series I-n show Ohmic behaviors with effective electric resistances in the GΩ range. Under white light illumination, the effective electric conductivity for the compound I-8 is five times that obtained in dark conditions. This derivative also showed two direct optical band gaps in the UV and visible light range. In addition, I-6 has band energy gaps of values 1.07 and 2.79 eV, which are suitable for solar energy applications.