Sharif Digital Repository

Cu2O is an attractive material in terms of semiconducting properties and is considered a leading candidate in all-oxide photovoltaics. Electrochemical analysis of Cu2O, including Mott-Schottky (MS) and impedance spectroscopy (IS), provides a wealth of data on charge carriers, Fermi level and interface properties. MS and IS are usually measured in aqueous solutions. However, Cu2O is easily reduced or oxidized to Cu or CuO in aqueous solutions, the layer peels off after the analysis and there is a small voltage window for the tests. In some cases, an anti-corrosive n-type barrier layer is employed on top of the bare Cu2O electrode to make the measurement possible, which could result in... 

In this article, a new hydration model has been proposed to study the phase behavior of aqueous electrolyte solutions. The proposed model distinguishes between an anion and cation in the electrolyte solution. The model has three adjustable parameters which can be obtained using the experimental data of the mean ionic activity coefficients for 113 electrolyte solutions. The results of the proposed model were compared with those of obtained from the Pitzer, the E-NRTL and the E-Wilson models. The results showed that the proposed model can accurately correlate the mean ionic activity coefficients of the aqueous electrolyte solutions than the other models. Also, the proposed model was used in... 

The GV-MSA, the BMCSL-MSA and the Pitzer models were used to correlate the individual, the mean ionic activity coefficients and the osmotic coefficients of symmetric and asymmetric electrolyte solutions. In order to compare the results obtained from the GV-MSA with those obtained from the Pitzer and the BMCSL-MSA models, the same experimental data and the same minimization procedure were used and the new sets of parameters for the BMCSL-MSA and the Pitzer models were also reported. The values for the osmotic coefficients of electrolyte solutions were calculated directly using the values of the mean ionic activity coefficients obtained from the models studied in this work. The results for the... 

Deposition of barium sulfate (or BaSO4) has already been recognized as a devastating problem facing process industries and oilfield operations, mainly owing to its low solubility in aqueous solutions. Predicting and also preventing the overall damage caused by BaSO4 precipitation requires a profound knowledge of its solubility under different thermodynamic conditions. The main aim of this study is to develop a solubility prediction model based on a hybrid of least squares support vector nachines (LSSVM) and coupled simulated annealing (CSA) aiming to predict the solubility of barium sulfate over wide ranges of temperature, pressure and ionic compositions. Results indicate that predictions of... 

The preparation of composite manganese dioxide (MnO2) nanoparticles in an ordered mesoporous carbon (CMK-3) matrix and its use for constructing a new wide-potential-window supercapacitor is reported. CMK-3 is prepared using mesoporous silica as a hard template and sucrose as carbon source. The different ratios of MnO2/CMK-3 composite is synthesized by impregnating CMK-3 with a Mn(NO3)2·4H 2O solution followed by annealing in nitrogen. Physical properties, morphology, and specific surface area were characterized by X-ray diffraction, transmission electron microscopy, and nitrogen sorption measurements, respectively. The electrochemical properties of the composite were studied by cyclic... 

Surface modification of titanium implants is recently considered by several researchers. In this study, PEO was performed over commercially Ti-6Al-4V alloy pellets in an aqueous electrolyte containing calcium acetate (C.A.) and calcium glycerphosphate (Ca-GP) with a Ca/P molar ratio of 6.8, and applying current density of 0.212 A/cm2, frequency of 100 Hz and duty ratio of 60% for 4 min. In the next step, hydrothermal treatments were carried out for various durations and at different temperatures inside an autoclave chamber containing a NaOH solution with pH of 11.5. XRD and SEM results confirmed formation of needle-shaped HAp after all hydrothermal conditions. Maximum intensity of HAp peaks... 

In this study, the values of the surface tension for a number of single aqueous electrolyte solutions were measured at various temperatures and electrolyte concentrations using the well-known and computer-aided pendant-drop method. In order to conduct the experimental measurements, a high-pressure IFT-700 apparatus, equipped with a view cell and a data acquisition system, was used. The systems studied in this study were aqueous solutions of KCl, NaCl, CaCl 2, and Na 2SO 4. The pooled standard deviation and the confidence limit of the surface-tension data for a 95 % confidence level were determined to be 0.17mN · m -1 and σ̄ ± 0.19, respectively. It should be noted that while the surface... 

We fabricated a high rate capability supercapacitor based on fluorine-doped graphene-carbon nanotubes aerogel network (G-CNT-F). Based on the electrochemical impedance spectroscopy data, the fluorination decreases the charge transfer resistance of graphene sheets, while CNTs act as spacer in the 3D structure. Therefore, both treatments improved the electrochemical properties of the resulted aerogel. Based on the Fourier transform infrared spectroscopy and XPS results, these excellent performances are attributed to semi-ionic bonds between fluorine and carbon. The specific capacitance of the graphene aerogel showed 78% decrease, when discharge current increases from 2 to 40 mA, while the... 

Flexible and lightweight fiber-shaped micro-supercapacitors have attracted tremendous attention as next-generation portable electronic devices, due to their high flexibility, tiny volume, and wearability. Herein, we successfully fabricated a ternary binder-free nanocomposite of MnO2/PEDOT:PSS-rGO on a carbon fiber substrate for application in high performance fiber-shaped micro-supercapacitors. The synergistic effects of the different components in the fiber-shaped electrode help to deliver a high specific capacitance of 2.9 F cm-2 (194 F cm-3 and 550 mF cm-1) at a current density of 5 mA cm-2 and a long cycle life with 95% capacitance retention after 5000 cycles in 1 M Na2SO4 electrolyte. A... 

Formation of unstable solid electrolyte interphase (SEI) layers lacking of thermal stability in non-aqueous electrolytes of rechargeable batteries is the main bottleneck for their long-life cycling, especially at elevated temperatures. Inclusion of a small dose of functional electrolyte additives into the batteries' electrolyte can be highly beneficial to surmount this issue. Of these additives, vinylene carbonate (VC) has drawn particular attention thanks to its high ability to build protective layers at anodes showing good integrity and outstanding thermal stability. In addition to its primary roles in present-day lithium-ion batteries (LIBs), VC additive has also been examined in other... 

Saturation molality of sodium chloride in mixed aqueous electrolyte solutions containing NaCl, CaSO4 and Na2SO4 was measured at atmospheric pressure over the wide range of temperatures using an equilibrium cell equipped with an accurate temperature control system. The measurements were carried out at different CaSO4 and Na2SO4 concentrations. In order to check the repeatability of the experimental data for the saturation molality of NaCl, the experiments were replicated three times and the values reported were the average of the replicas. To model the data generated in this work, the PDH+UNIFAC-Dortmund activity coefficient model was used. The model used to predict the mean ionic activity... 

A new unbreakable solid phase microextraction (SPME) fiber coating based on aniline-silica nanocomposite was electrodeposited on a stainless steel wire. The electropolymerization process was carried out at a constant deposition potential, applied to the corresponding aqueous electrolyte containing aniline and silica nanoparticles. The scanning electron microscopy (SEM) images showed the non-smooth and the porous surface structure of the prepared nanocomposite. The applicability of the new fiber coating was examined by headspace-solid phase microextraction (HS-SPME) of some environmentally important polycyclic aromatic hydrocarbons (PAHs), as model compounds, from aqueous samples....