This work describes the hydroxyapatite nanoparticle (HAP) preparation from eggshell waste and their application as an adsorbent for Cephalexin (Ceph) antibiotic removal from aqueous solutions. Chemical precipitation with phosphoric acid was used to evaluate the feasibility of calcium oxide for HAP preparation. The structural properties of HAP were characterized by X-ray diffraction, which revealed the formation of the hydroxyapatite crystalline phase formation. In addition, transmitting electron spectroscopy showed an irregular shape with a variation in size. The impact of various experimental conditions on the removal efficiency such as the solution’s pH, contact time, HAP mass, solution temperature, and Ceph concentration were studied. Experimental data showed that HAP could remove most Ceph species from aqueous solutions within 1 h at pH = 7 with 70.70% adsorption efficiency utilizing 50 mg of the HAP. The removal process of Ceph species by HAP was kinetically investigated using various kinetic models, and the results showed the suitability of the pseudo-second-order kinetic model for the adsorption process description. Moreover, the removal process was thermodynamically investigated; the results showed that the removal was spontaneous endothermic and related to the randomness increase. The data confirmed that HAP had high efficiency in removing Ceph antibiotics from an aqueous solution.
A new approach for the modification of the Li-ion battery cathode by titanium (Ti 3+ ) and rhenium(Re 3+ ) monolayers using a square wave potential regime has been established. Cyclic voltammetry (CV), Energy-dispersive X-ray spectroscopy (EDX) and Chronoamperometric (CA) were used to analyze the electrochemical properties of these cathodes. The EDX indicates that the active material's powder parts have been fully coated with a thick and homogenous coating from titanium and rhenium after the application of square wave potential. The lower/upper limit potential allowing spontaneous monolayer coating of the lithium surface. This fundamental change has a significant impact on charge-discharge efficiency. Information about local Ti/Re and Li-ions arrangements was obtained from EDX spectra. The CV studies confirm the presence of the coating process in the studied samples and rule out the possibility of Ti +3 /Re +3 ion diffusion through the structure. Our research also reveals that while coating layers cannot help achieve optimal electrochemical characteristics, they can help to hinder power retention depending on the coating system and conditions. The constructed surfaces were exposed to 1x10 -3 M of Ti 3+ /Re 3+ solution, causing Ti/Re atoms to be permanently adsorbed at the lithium surfaces, resulting in Lisur-Tiad/Lisur-Read surfaces.The lithium-ion surface modified by titanium and rhenium adatoms had greater capacity powerthan the lithium-ion surface pure. This demonstrates the synergistic effects of Ti 3+ and Re 3+ adatoms in imparting higher electrochemistry properties to lithium-ion batteries. .
This paper reports on the development of liquid crystal for the electrochemical study of photo-induced electron transfer. This study covers the following studies: the description of the laminar liquid crystals (LLCs) system by using CPZ.HCl material, examining the lyotropic liquid crystal system of CPZ.HCl compound and its application in the photogalvanic cell. Chlorpromazine hydrochloride (CPZ.HCl) was first shown to form a lyotropic liquid crystal (LLC) when the concentrations reached > 10 M in an aqueous solution. This self-assembly was revealed through the birefringence observed through cross-polarisers and the characteristic X-ray scattering. The electrochemistry of the CPZ.HCl- LLC system was probed through the use of cyclic voltammetry using different micro-electrode materials, diameters and CPZ.HCl concentrations. Following this, this system was fabricated into a photogalvanic cell that produced a power conversion efficiency (PCE) of 0.58 %.
In this study, we used density functional theory (DFT) and natural bond orbital (NBO) analysis to determine the structural, electronic, reactivity, and conformational features of 2,5,5-trimethyl-1,3,2-di-heteroatom (X) phosphinane-2-sulfide derivatives (X = O (compound 1), S (compound 2), and Se (compound 3)). We discovered that the features improve dramatically at 6-31G** and B3LYP/6-311+G** levels. The level of theory for the molecular structure was optimized first, followed by the frontier molecular orbital theory development to assess molecular stability and reactivity. Molecular orbital calculations, such as the HOMO–LUMO energy gap and the mapping of molecular electrostatic potential surfaces (MEP), were performed similarly to DFT calculations. In addition, the electrostatic potential of the molecule was used to map the electron density on a surface. In addition to revealing molecules’ size and shape distribution, this study also shows the sites on the surface where molecules are most chemically reactive.
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