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2-etil-4-metil-1,3-tiyazol-5-karboksilik Asitin Korozyona Karşı İnhibisyon Etkisinin İncelenmesi
(2022) Mert, Mehmet Erman
Bu çalışmada, 2-etil-4-metil-1,3-tiyazol-5-karboksilik asitin (2E4MT5C) 0,5 M HCl çözeltisinde yumuşak çeliğin (MS) korozyon davranışına karşı inhibitör özellikleri elektrokimyasal ve teorik yöntemlerle araştırılmıştır. 7 günlük daldırma süresi boyunca 2E4MT5C içermeyen ve 5 mM 2E4MT5C içeren HCl çözeltilerinde elektrokimyasal impedans spektroskopi (EIS) ölçümleri ve polarizasyon eğrileri elde edildi. Farklı derişimlerde (0,5; 1; 3 ve 5 mM) 2E4MT5C içeren HCl çözeltilerinde 1 saatlik daldırma süresi için gerçekleştirilen EIS ölçümlerinden elde edilen veriler vasıtasıyla adsorpsiyon izotermi çizilerek, adsorpsiyon denge sabiti ve adsorpsiyon serbest enerjisi belirlendi. Moleküler yapı ile elektrokimyasal davranış arasında ilişki kurmak ve adsorpsiyon mekanizmasını araştırmak için deneysel sonuçlar teorik parametrelerle karşılaştırıldı. 1 saatlik daldırma süresi için elde edilen sonuçlara göre, MS için polarizasyon direnci değerleri 2E4MT5C yokluğunda 39 ?.cm2 ve mevcudiyetinde ise 195,3 ?.cm2 dir. 7 günlük daldırma süresi için elde edilen sonuçlara göre, MS için direnç değerleri 2E4MT5C yokluğunda 9,8 ?.cm2 ve mevcudiyetinde ise 38,3 ?.cm2 dir. Teorik olarak hesaplanan HOMO ve LUMO değerleri -6,89 eV ve -1,78 eV dir. Dipol moment 5,96 Debye olarak belirlenmiştir. Elde edilen sonuçlara göre 2E4MT5C'nin yumuşak çelik korozyonuna karşı etkin koruma sağladığı görülmüştür.
3D printed honeycomb transition metal decorated electrodes for hydrogen production
(Elsevier Sci Ltd, 2024) Mert, Mehmet Erman; Nazligul, Huseyin; Aydin, Emine Avsar; Mert, Basak Dogru
In this study, a PV-wind hybrid system was proposed as a power source for hydrogen production by alkaline electrolysis and it was examined MATLAB simulation for Adana region. In the alkaline electrolysis cell, lab-made 3D printed cathode substrates were used and its electrocatalytic activity was enhanced via electrodeposition of Ni, Cu and NiCu. The characterization was achieved via scanning electron microscopy, energy-dispersive X-ray, transmission electron microscopy, contact angle measurement and X-Ray diffraction analysis. The electrochemical performance was determined via linear sweep voltammetry, cyclic voltammetry, Tafel polarization measurements, electrochemical impedance spectroscopy, chronoamperometry. Results showed that 3DNiCu electrode exhibited nodular shaped homogeneous surface characteristics and NiCu (111) and (200) crystalline morphology; it also demonstrated lower polarization resistance and higher current density during alkaline electrolysis procedure.
3D-Printed Antenna Design Using Graphene Filament and Copper Tape for High-Tech Air Components
(Sae Int, 2023) Aydin, Emine Avsar; Bicer, Mustafa Berkan; Mert, Mehmet Erman; Ozgur, Ceyla; Mert, Basak Dogru
Additive manufacturing (AM) technologies can produce lighter parts; reduce manual assembly processes; reduce the number of production steps; shorten the production cycle; significantly reduce material consumption; enable the production of prostheses, implants, and artificial organs; and produce end-user products since it is used in many sectors for many reasons; it has also started to be used widely, especially in the field of aerospace. In this study, polylactic acid (PLA) was preferred for the antenna substrate because it is environmentally friendly, easy to recycle, provides convenience in production design with a three-dimensional (3D) printer, and is less expensive compared to other available materials. Copper (Cu) tape and graphene filament were employed for the antenna patch component due to their benefits. The comprehensive comparative analysis between a full-wave model and a 3D-printed prototype of the antenna via the CST Microwave Studio program was demonstrated here. The surface characterization was achieved with scanning electron microscope and energy dispersive X-ray (SEM-EDX) and X-ray diffractometer (XRD) analysis. The homogeneous Cu and oxidized graphene (GO) were detected. The weight percent of carbon (C) and oxygen (O) on the graphene surface was 59.82% and 40.18%, respectively. The Cu (111), Cu (200), and Cu (220) peaks were determined on the Cu tape. The GO (011) peak was seen in the XRD spectra of the graphene sheet. The simulation and measurement comparisons are quite satisfactory. The antennas, produced using a conventional 3D printer, will be beneficial for various applications in aeronautics and astronautics.
Ag Decorated NiCo Catalyst on Ni Foam Electrodes for Electrocatalytic Oxidation of Methanol
(Maik Nauka/Interperiodica/Springer, 2022) Mert, Mehmet Erman; Mert, Basak Dogru
In this study, nickel (Ni) and cobalt (Co) with various compositions were galvanostatically deposited on a nickel-based substrate (NiF); the convenient NiCo-electrode was decorated with silver nanoparticles (AgNPs), and was symbolized as NiF-NiCo(II)-Ag. For this purpose, chronopotentiometry technique was used. The prepared electrodes were examined as an anode for methanol electrooxidation in an alkaline solution containing 1 M methanol. The electrode characterization was carried out with field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray (EDX) and X-ray diffraction (XRD) techniques. The catalyst efficiency was determined by cyclic voltammetry (CV) and chronoamperometry (CA) analysis. The surface mapping revealed that Ag nanoparticles had a uniform surface dispersion and the lattice plane of the face-centered cubic (fcc) Ag peak was detected in XRD spectra. The electrochemical results revealed that Ni and Co deposition on NiF considerably improved the electrooxidation of methanol, and that the efficiency was further increased by enlarging the catalytic area and enhancing the charge transfer rate with the assistance of AgNPs decorating. The determined & UGamma; was 40.72 x 10(-6) mol g(-1) and D values were varied between 1.89 x 10(-12) and 2.96 x 10(-14) cm(2) s(-1). Furthermore, the current densities of NiF-NiCo(II)-Ag were almost equal for initial and final operation times of CA test for 50 000 s, almost 1.35 and 1.15 A g(-1), respectively. Before and after CA tests, CV results proved the long-term stability via repetitive cycles.
Analytical study on mild steel corrosion inhibition in acidic environment: DFT modeling and RSM optimization
(Elsevier Sci Ltd, 2025) Mert, Mehmet Erman; Gungor, Ceyla; Mert, Basak Dogru
This study investigates the corrosion inhibition potential of various heterocyclic compounds, including 1,3-Thiazole-4-carbothioamide, 4-aminopyrazolo[3,4-d]pyrimidine, pyrimidine-2-thiocarboxamide, 1,2,4-oxadiazole-3carbothioamide, 1H-imidazole-4-carbothioamide, 2-methyl-1,3-thiazole-4-carbothioamide, 4-aminothieno[2,3d]pyrimidine-2-thiol, and 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid, selected for their structural characteristics that make them effective in fuel applications. The presence of functional groups such as thiol, amide, carboxylic acid, imidazole, and thiazole in these compounds enhances their ability to adsorb onto metal surfaces, forming protective layers that significantly inhibit corrosion. These compounds were chosen not only for their strong interaction with metal substrates but also for their stability and durability under various environmental conditions, which are important for fuel systems. Density Functional Theory (DFT) calculations were performed to give structural insights, which are essential for understanding the corrosion inhibition mechanism of the examined compounds. The inhibition performance of these molecules were investigated in 0.5 M HCl via electrochemical impedance spectroscopy technique for mild steel (MS) containing various inhibitor concentrations (1;3 and 5 mM) and exposure times (1; 24 and 48 h). Particularly, the higher inhibition efficiency of compounds; 2-methyl-1,3-thiazole-4-carbothioamide and 4-aminothieno[2,3-d]pyrimidine-2-thiol from their structural and electronic properties. The variable inhibition efficiency observed among different compounds investigates the importance of methods Response Surface Methodology (RSM) for systematically analyzing concentration, time, and molecular structure interactions. The experimental results indicated that 2-methyl-1,3thiazole-4-carbothioamide and 4-aminothieno[2,3-d]pyrimidine-2-thiol exhibited significantly higher inhibition efficiency at a concentration of 5 mM and an exposure duration of 48 h, with inhibition efficiencies of 98.96 % and 98.66 % respectively.
Catalytic insights into methanol electrooxidation on Ni foam modified with Bi 2 O 3-Acetylene black-rGO: Synthesis, characterization, and performance evaluation
(Pergamon-Elsevier Science Ltd, 2024) Aksaray, Goncagul; Mert, Mehmet Erman; Mert, Basak Dogru; Karda, Gulfeza
The aim of this study was to develop efficient anode materials for direct methanol fuel cell applications. The Ni foam was modified with Bi 2 O 3 - acetylene black-rGO to increase catalytic activity toward methanol oxidation. The Bi 2 O 3 was synthesized via a straightforward green technique. The characterization was achieved by using Fourier transform infrared spectroscopy and X -Ray diffraction analysis. The transmission electron microscope and field emission scanning electron microscope was utilized to evaluate the surface properties of catalysts, and energy-dispersive X-ray spectroscopy were employed to determine the chemical composition. Bi 2 O 3 particles with diameters ranging from 15 to 75 nm were crystal structures in the (111), (220), (311), and (342) crystal planes. The performance of methanol electrooxidation in an alkaline medium was investigated using cyclic voltammetry, electrochemical impedance spectroscopy and chronoamperometry techniques. The surface coverage of the redox species was 2.04 x 10 -5 mol g -1 , and the diffusion coefficient ranged between 8.02 x 10 -12 and 1.25 x 10 -13 cm 2 s - 1 . According to the obtained results, the Bi 2 O 3 - acetylene black-rGO modification enhanced the electrocatalytic activity of Ni foam against methanol oxidation in an alkaline medium.
Corrosion prevention of mild steel in acidic medium by 2-Pyrrolidi-n-1-yl-1,3-thiazole-5-carboxylic acid: Theoretical and experimental approach
(Elsevier, 2022) Karazehir, Tolga; Mert, Mehmet Erman; Mert, Basak Dogru
The inhibition efficiency of 2-Pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid (PTCA) against mild steel (MS) corrosion was investigated in acidic solution by using quantum chemical calculations based on Density Functional Theory (DFT) method and electrochemical measurements. The electrochemical impedance spectroscopy (EIS), potentiodynamic, potential zero charge (pzc) analysis and electrochemical noise (EN) measurements at various concentrations (from 0.1 to 10 mM) and immersion times were utilized in experimental part. The surface analysis was achieved scanning electron microscope (SEM) and contact angle measurements in the absence and presence of 10 mM PTCA. According to DFT results, PTCA exhibited 3.737 eV band gap and 8.130 Debye dipole moment which were a signal of potentially convenient corrosion inhibitor properties. PTCA has a remarkable corrosion inhibition capability to mild steel, which inhibited both anodic and cathodic corrosion rates, relying on it's physically adsorption on the metal solution interface and protection ability was increased with increasing PTCA concentration. The obtained adsorption equilibrium constant was 11.11 x 103 M-1 and calculated standard free energy of adsorption was -33.03 kJ mol-1. The determined activation energy values were 55.58 kJ mol-1 and 96.86 kJ mol-1 in 0.5 M HCl in the absence and presence of 10 mM PTCA, respectively. PTCA demonstrated a strong inhibition efficiency of 98.3%, after 168 h immersion, according to the EIS results. As a consequently, we recommend that PTCA is a convenient inhibitor in 0.1 M HCl for mild steel protection against corrosion.
Design and performance analysis of a PV-assisted alkaline electrolysis for hydrogen production: An experimental and theoretical study
(Elsevier Sci Ltd, 2024) Mert, Mehmet Erman; Edis, Cansu; Akyildiz, Senay; Demir, Beyza Nur; Nazligul, Huseyin; Gurdal, Yeliz; Mert, Basak Dogru
The PV assisted alkaline electrolysis cell was established for hydrogen generation. Lab-made AgNiCu modified nickel foam cathodes were used in this system. The characterization was achieved using field emission scanning electron microscopy, energy-dispersive X-ray and X-Ray diffraction analysis. The electrochemical performance was investigated via linear sweep voltammetry, cyclic voltammetry, Tafel polarization measurements and electrochemical impedance spectroscopy. The electrolysis potential and time depended efficiency was monitored. The structural theoretical analysis of the electrode surface and hydrogen evolution characteristics were also determined applying Density Functional Theory and Ab-initio Molecular Dynamics simulations which identified the role of Ag decoration and Cu incorporation on the surface against water and proton adsorptions. The modified cathode (AgNiCuF) improved the hydrogen production performance owing to lower hydrogen onset potential (-1.1 V) and charge transfer resistance (0.362 ohm at -1.5 V).
Detonation Parameters of the Pentaerythritol Tetranitrate and Some Structures Descriptors in Different Solvents - Computational Study
(2021) Hilal, Cihat; Önal, Müşerref; Mert, Mehmet Erman
Pentaerythritol tetranitrate (PETN, C5H8N4O12) is a relatively stable explosive nitrate ester molecule. It has been widely used in various military and public industrial productions. In this study, the solubility tendency of PETN in different organic solvents was investigated theoretically. Several physicochemical parameters of PETN such as density, detonation pressure, temperature, rate and products of detonation reaction were investigated using the B3LYP functional and basic set of polarization functions (d, p) containing 6-31G**. The obtained results have been compared with the literature values. Furthermore, the stability and reactivity of PETN in acetone, diethyl ether, ethanol, tetrahydrofuran, toluene and methylene chloride were examined. Results revealed toluene is a good solvent to increase the explosive properties of PETN.
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.
Electromagnetic and Chemical Analysis and Performance Comparison of Inset-fed Rectangular Microstrip Antennas
(Wiley-V C H Verlag Gmbh, 2023) Aydin, Emine Avsar; Bicer, Mustafa Berkan; Mert, Mehmet Erman; Mert, Basak Dogru
A simple method for creating lightweight and inexpensive microstrip patch antennas using reduced graphene oxide or acetylene black added epoxy resin was developed. The biggest goal in the method is optimizing the appropriate chemicals and production processes for producing the materials with the designed properties. Five examples of an inset-fed microstrip patch antenna operating at approximately 2.0-12.0 GHz were designed based on the antenna's basic analytical formula. Their models were created in a 3D electromagnetic simulation environment. After examining the performance results of the design, the appropriate design models were produced with both 3D printer technology and wet-chemical methods, and the experimental results were compared with the simulation results. The produced reduced graphene oxide or acetylene black added samples ' structure was illuminated with scanning electron microscope images, FTIR and Raman spectroscopy analysis. The measured S-11 characteristics of the antennas provide better performance as compared to the simulated results. The measured S-11 parameters for the two and three frequency bands fell substantially below -10 dB. As a result of the dielectric constants of the materials and the fabrication of the radiation plane, horizontal shifts were detected in the measurement outcomes.
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.
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.
Investigation of Pseudo-residue Existence Obtained from the Hands of Employees in Various Business Lines
(2023) Mert, Mehmet Erman; Hilal, Cihat
Handswap analysis is carried out in criminal laboratories in order to illuminate the crime scenes in which firearms are used. The reliability of the results obtained from the analyzes is the subject of the chemistry department and is based on sample reliability. In this study, the hand swabs of people working in fifteen various business lines were obtained using transfer kit in order to acquire a scientific response to the issue of whether there would be shot residues in the hands of people in everyday life. Collected samples were first examined by Scanning Electron Microscopy (SEM-EDS). The elements of Sb&Ba&Pb, as well as their combinations, were investigated in the samples. After SEM-EDS analysis, all samples were analyzed using graphite furnace atomic absorption spectrometry (GFAAS) method to determine the amount of antimony element. According to the results, antimony element was detected on the surface of the caliper used in the printing house via GFAAS. Sb&Ba&Pb particles were also detected by SEM-EDS analysis in the swabs taken from the hands of the automobile battery repairman and the market cashier.
Optimization of hydrogen production via electrocatalysis using NiCoMo-modified electrodes: An RSM approach
(Taylor & Francis Inc, 2024) Esmerli, Sekip Caner; Gungor, Ceyla; Mert, Mehmet Erman
The depletion of fossil fuels and the environmental impact of their combustion have increased the demand for sustainable energy alternatives, with hydrogen appearing as an appropriate option due to its clean energy potential. This study focuses on developing a laboratory-scale alkaline electrolysis system for hydrogen production. Platinum, known for its high catalytic activity and durability, was employed as the anode, while graphite was selected as the cathode for its cost-effectiveness. To enhance catalytic performance, the graphite electrodes were modified with nickel-cobalt-molybdenum (NiCoMo) using a galvanostatic method. The electrode voltage and molarity were chosen as independent variables to evaluate their effect on hydrogen production. Using the Design-Expert software, the optimal conditions were identified at 3 V and 1.5 mol/l, yielding 10.67 ml of hydrogen. The coefficient of determination (R2) values 98.81% for R2, 97.96% for adjusted R2, and 91.63% for predicted R2 indicate suitable model accuracy. The error margin between experimental and optimized results was only 1.7%, confirming the reliability of the method. This study highlights the potential of NiCoMo-modified electrodes to enhance hydrogen production efficiency. Future research could explore scaling up the system and integrating it with renewable energy sources, positioning this method as a viable pathway toward sustainable hydrogen production.
Prediction and optimization of the process of generating green hydrogen by electrocatalysis: A study using response surface methodology
(Elsevier Sci Ltd, 2022) Ozgur, Ceyla; Mert, Mehmet Erman
Nowadays, the interest in alternative fuels is increasing from day to day. Therefore, various studies are carried out on the production of hydrogen, which is considered as a clean energy source. The aim of this work is to investigate the hydrogen production efficiency of Ni and Cu deposited Ni foam electrodes with various amounts of compositions and the experimental studies for acquiring the maximum hydrogen efficiency were examined. Electrolysis time, electric voltage, and catalyst amount were chosen as the independent variables. The impacts of these independent variables on hydrogen production were interpreted statistically using the Design-Expert software. One of the significant advantages of this method is that it is possible to analyse more than one parameter by doing a small number of experimental studies. The created model identified the ideal parameters for obtaining optimum hydrogen generation as 30 min electrolysis time, 3 V electric voltage, and 11.35 mu g catalyst quantities.
Production of NF/NiCo/Ag catalyst for hydrogen generation in alkaline medium
(Wiley, 2022) Mert, Mehmet Erman
The nickel foam (NF) precursors were doped with nickel, cobalt particles with various chemical compositions; the most convenient one was decorated with silver nano-domes and investigated for hydrogen production efficiency (HPE) in 1 M KOH. The X-ray diffraction, field emission scanning electron microscopy, and energy-dispersive X-ray techniques were used to characterize the catalysts. Linear sweep voltammetry, cyclic voltammetry, Tafel polarization measurements, electrochemical impedance spectroscopy, and chronoamperometry were used to determine the electrochemical efficiency. The rough structured Ni- and Co-deposited NF significantly increased the HPE achieved with silver nano-domes particles decoration (NF/NiCo-2/Ag). The results showed that NF/NiCo-2/Ag was the most efficient catalyst, as it has lower hydrogen overpotential and a higher HPE, which was detected in polarization curves, as well as being stable during the 1 x 10(4) s electrolysis period and having a good response during electrochemical analysis. The produced hydrogen gas volume was 108.1 mL by using NF/NiCo-2/Ag, at the end of 30-minute electrolysis in 1 M KOH.
Production of NiCoMo-Supported Ni Foam for Electrocatalytic Oxidation of Methanol: Experimental and RSM Analysis
(Springer Heidelberg, 2024) Mert, Basak Dogru; Demir, Beyza Nur; Edis, Cansu; Akyildiz, Senay; Ozgur, Ceyla; Mert, Mehmet Erman
The Ni-, Co-, and Mo-supported Ni foam (NiF-NiCoMo) was produced via galvanostatic method, and electrooxidation of methanol in alkaline medium was examined. The characterization was achieved using field emission scanning electron microscopy, energy-dispersive X-ray, and X-ray diffraction analysis. The electrochemical behavior was determined via cyclic voltammetry and chronoamperometry analysis. The contribution of each transition metal to electrocatalytic performance of NiF was monitored via mono, binary, and ternary modifications of each transition metal (Ni, Co, and Mo) for several amounts (5, 10, and 15 mu g). Experiments were performed to determine the influence of catalyst amounts, methanol concentration, and scan rate parameters. The impacts of independent parameters on methanol electrooxidation were statistically investigated using Design-Expert software. The ability to analyze multiple parameters with a limited number of experimental performances is one of the method's key benefits. The developed model showed that 9.41 and 14.03 mu g catalyst amounts were the appropriate values for NiF-NiMo and NiF-NiCoMo achieving optimal circumstances, respectively.
Production of Pt decorated poly(3,4-ethylenedioxythiophene)/ERGO/GCE as an efficient catalyst for methanol oxidation reaction
(Wiley, 2023) Mert, Basak Dogru; Karazehir, Tolga; Mert, Mehmet Erman; Kardas, Gulfeza
In this study, Pt-decorated poly(3,4-ethylenedioxythiophene) (PEDOT) electrocatalyst was uniformly coated electrochemically reduced graphene oxide (ERGO) layer on glassy carbon electrode (GCE) has been created using appropriate procedures to facilitate the implementation of the methanol oxidation reaction (MOR). This multi-layer catalyst was characterized in each production step via Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, field-emission scanning electron microscopy and energy-dispersive x-ray analysis (FESEM-EDX) morphological analysis beside the electrochemical tests. The favorable structures of both ERGO and PEDOT increase conductivity and electrocatalytic activity toward methanol oxidation, which may create a suitable matrix for Pt loading thanks to the formation of much more active centers for methanol electrooxidation. The results demonstrate that the electrochemical surface area (ECSA) of Pt/PEDOT/ERGO/GCE was 39.1 m(2) g(-1), and it has a convenient mass activity (MA with 467 mA mg Pt-1) compared to that of commercial Pt/C. According to chronoamperometric analysis, the current density of Pt/PEDOT/ERGO/GCE was stable during the 1200 s of operation. It demonstrated remarkable stability with a final current density of 4.36 mA cm(-2).
The Effects of BTTN, TMETN and DEGDN Molecules on the Explosion Properties of PETN Molecule
(2022) Hilal, Cihat; Varıs, Serhat; Mert, Mehmet Erman; Önal, Müşerref; Sarıkaya, Yüksel
Molecular modelling is an appreciated tool that brings valuable data on physical and chemical characteristics of materials that eliminates the necessity of conducting any experiment. This method allows to calculate the performance of energetic molecules to be synthesized. In the work, the detonation parameters of the energetic organic compounds Pentaerythritol tetranitrate(PETN), Butanetriol trinitrate (BTTN), Trimetylolethane trinitrate (TMETN) and Diethyleneglycol dinitrate (DEGDN) has theoretically been calculated and some values compared with the literature values. Moreover, three hypothetical molecules combining PETN with other explosive molecules have been designed. The detonation properties have been calculated using density functional theory (DFT) with B3LYP/6-31G (d,p) basis set. It has been concluded that all molecules have the effect of increasing the explosion parameters of PETN.

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