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    DFT analysis of salicylideneaniline derivatives as corrosion inhibitors for mild steel
    (2024) Mert, Mehmet Erman; Mert, Başak Doğru
    Schiff bases are important in corrosion inhibition due to their ability to form stable complexes with metal ions and create protective layers on metal surfaces, thereby extending the lifespan of structural materials in various industrial applications. In this study the Salicylideneaniline and its derivatives were analyzed as corrosion inhibitor versus mild steel corrosion via DFT analysis. The eight molecules were chosen; salicylideneaniline, 2-(benzylideneamino)phenol, 4-(benzylideneamino)phenol, 2-phenyldiazenylphenol, 2-Phenylazo-4-methylphenol, 3-methyl-2-phenyldiazenyl phenol, 2-[(2-methylphenyl)diazenyl]phenol, 4-phenyldiazenylbenzene-1,3-diol), for this purpose. The Gaussian 03 program and the 6-311++G (d, p) basis set was used. Electronic properties such as the energy of the highest occupied molecular orbital (EHOMO), energy of the lowest unoccupied molecular orbital (ELUMO), energy gap (?E) between LUMO and HOMO, dipole moment, and charges on the backbone atoms, ESP were determined.
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    Electrochemical Production of Transition Metal-Based Electrocatalysts for Hydrogen Production
    (2022) Ergen, Eren; Nazlıgül, Hüseyin; Mert, Başak Doğru
    Energy demand increases with increasing population and industrial developments. Unfortunately, non-renewable sources are used to meet a large portion of the demand. As a result of the negative effects, researchers have begun to investigate renewable sources by working in a variety of fields in order to ensure the energy and humanity's long-term sustainability. Renewable energy sources are very important for the future of the world. In this regard, we can claim that the convenient solution is “hydrogen” which is as promising energy carrier. In this study, alkaline electrolysis system was preferred due to the advantage of being easily integrated with renewable energy sources to meet the power requirements of the system. The platinum (Pt) and stainless steel (SS) electrodes were used as anodes. Graphite (G) and ternary transition metals (nickel, copper, cobalt) modified graphite (G/NiCoCu) electrodes were used as cathode. The modified electrodes were prepared by using galvanostatic method. The various operation voltages were applied that varied from 2,3V to 3V in order to realize water splitting reaction. The amount of produced hydrogen gas was increased with increasing operation voltage. According to the experimental results, at 3V for 15 minutes of electrolysis time, the produced H2 gas values were 15 mL, 11,13 mL and 13,12 mL for Pt - G (Cell-1), SS - G (Cell-2) and SS - G/ NiCoCu (Cell-3), respectively.
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    Energy Storage Performance and Investigation of Usage Potential a PV Combined-Alkaline Electrolysis Hydrogen Production System
    (2022) Demirdelen, Tuğçe; Mert, Başak Doğru; Ekinci, Fırat; Yavuzdeğer, Abdurrahman; Esenboğa, Burak; Nazlıgül, Hüseyin; Tümay, Mehmet
    Hydrogen fuel has the potential to reduce CO2 emissions significantly. In this study, PV-alkaline electrolysis cell was combined and during day time it was harvested energy. Some of the deposited energy was used on-grid alkaline electrolysis cell and hydrogen was produced also was stored. In the electrolysis system, Ni-based coatings were operated on steel mesh with the help of the electrodeposition method. It was used re-cycled steel mesh substrates in order to decrease operational costs and also in order to encourage metal-cycling in our country. The relevancy of cathodes was investigated using bulk electrolysis. The characterization was achieved via scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX). Results define both effects of \"lab-made cathodes performance comparison\" and \"the trend of PV panel under different climate and weather conditions\". This system reflects the real-time measurements for Adana, Sarıcam region of Turkey.
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    Environmentally Friendly Route for Synthesis of CuO Nanoparticles
    (2023) Mert, Mehmet Erman; Mert, Başak Doğru
    This study's objective is to synthesize copper (II) oxide (CuO) nanoparticles (NPs), which have numerous applications via eco-friendly route. In the study, employing curcuma herbal’s ethanolic extract in the synthesis route was thought to be a good alternative for the environmentally friendly synthesis of nanoparticles because there are many benefits associated with performing so. These advantages include being affordable, conveniently accessible, easy to extract, and less susceptible to contamination. The scanning electron microscopy (SEM), energy dispersive analysis (EDX), and transmission electron microscopy (TEM) analysis were used to examine the generated particles. Additionally, UV analysis and the determination of the zeta potential of CuO NPs were performed.
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    Green Synthesis and Characterization of Fe2O3 Nanoparticles
    (2023) Mert, Başak Doğru
    The aim of this study is to produce iron III oxide (Fe2O3) nanoparticles due to their wide application area. The ethanolic extract of curcuma was used in the synthesis method due to number of advantages. These benefits include being inexpensive, widely accessible, simple to extract, and less prone to contamination. The produced particles were analyzed via scanning electron microscope (SEM), energy dispersive analysis (EDX), and transmission electron microscope (TEM). Furthermore, the zeta potential of Fe2O3 particles was determined, ultraviolet–visible spectroscopy (UV) analysis and fourier transform infrared spectroscopy (FTIR) analysis were done. According to the results obtained, granular nanoparticles with particle sizes ranging from 30 to 80 nm were synthesized and it was determined that they were sufficiently stable.
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    Investigation of Inhibition Performance of Phenytoin for Mild Steel Protection in HCl Solution: Electrochemical and Quantum Theoretical Approaches
    (2022) Nazlıgül, Hüseyin; Gullu, Emre; Mert, Mehmet Erman; Mert, Başak Doğru
    In this study, the application potential of the expired \"Epdantoin\" drug which includes phenytoin (EP) as the corrosion inhibitor was investigated. For this purpose, the electrochemical impedance spectroscopy measurements and polarization curves were obtained for 168 hours immersion period in 0.5 M HCl in the absence and presence of various concentration of EP. The experimental results were compared with quantum theoretical parameters in order to present adsorption behavior of EP. The adsorption equilibrium constant and Gibbs free energy were calculated as 5000 M-1 and -31,05 kj mol-1, respectively. The calculated HOMO and LUMO values were -6.67 eV and -0.72 eV, respectively. Results indicated that EP is a convenient candidate of corrosion inhibitor for mild steel in HCl medium.
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    The Investigation of Corrosion Performance and Durability of Hydroxyapatite-Coated Titanium Implants and the Effect of Antibiotic Additives
    (2021) Yazıcı, Demet; Alpay, Nilgün; Mert, Başak Doğru
    In this study, amoxicillin and potassium clavulanate were loaded as antibiotic additives to hydroxyapatitecoating (L-HAP) and were used to enhance biocompatibility and corrosion resistance of titanium (Ti) in- vitroconditions. Coating was achieved using the Successive Ionic Layer Adsorption and Reaction (SILAR) process.Scanning electron microscopy (SEM) images, energy dispersive X-ray (EDX) analysis, atomic forcemicroscopy (AFM) images, X-ray diffraction (XRD) analysis, and attenuated total reflectance-Fouriertransform infrared spectroscopy (ATR-FTIR) were used to determine the surface morphology. The corrosiontest was performed using electrochemical impedance spectroscopy (EIS) and polarization curves in artificialsaliva at 310 K. Furthermore the quantum chemical parameters of amoxicillin and potassium clavulanate wereinvestigated and associated with the adsorption ability of these molecules. Results revealed that the corrosionperformance of Ti was improved by L-HAP, which had a lower anodic current density and better corrosionresistance. This situation dealt with the more durable, compact film that had been produced on the surface.