Sharif Digital Repository

A multiscale FD-KMC model has been developed to simulate the cyclic voltammetry test of a copper electrode in simple copper sulfate bath. In this coupled model, the FD code provides the cupric ion concentration on OHP for KMC code, while the KMC code provides the electrochemical properties of the copper electrode (surface activity and rate constants of redox reactions) as an input data for FD code. The changes in the electrode properties due to the atomistic phenomena (deposition dissolution and surface diffusion) have been studied for the present potentiodynamic system. The results showed that the CV process consists of some distinct stages, so that the electrode exhibits a specific... 

The anode materials are one of the critical components in rechargeable lithium ion batteries (LIBs). The monoclinic tungsten trioxide (mWO3) is introduced as interesting anode electrode for LIBs due to its good structure for intercalation and de-intercalation of lithium ions, high abundance and various oxidation state of tungsten and etc. In this study, we prepare and investigate the effect of various amounts of nickel dopant on characteristics and electrochemical properties of the mWO3 as the anode electrode in a rechargeable LIB. The experimental investigations confirm that the number of nickel atoms has a remarkable effect on controlling spherical particle diameter, crystallite size, and... 

Conducting polymer-based devices and scaffolds has become remarkably popular due to their properties such as conductivity, tunable electrochemical properties, and straightforward fabrication procedures. Hence, they have versatile applications and can be used as implants, biosensors, cell capture/release devices, and regenerative medicine scaffolds. This review addresses the effect of conductive polymers on cell behavior since their conductive features can be applied to simulate a cellular response. Moreover, the impact of polymer chemical and physical properties on cellular response has been discussed. Recent biomedical engineering approaches used for cell capture and release were reviewed... 

Bioactive glass is coated on implant's surface to improve corrosion resistance and osseointegration, when placed in the body. Bioactive glass particles were synthesized through a sol-gel process and deposited along with chitosan to form a composite coating on a stainless steel substrate using electrophoretic deposition technique. Stable suspensions of chitosan-bioactive glass were prepared using bioactive glass particles (<1 μm) and 0.5 g/l chitosan solution. The influence of ethanol-water ratio on deposition yield was investigated. For all process conditions, best results were achieved with suspension of 30 vol% water in ethanol-water containing 2 g/l bioactive glass. FTIR studies showed... 

Electro-oxidation of methanol in alkaline solution at a glassy carbon electrode electrochemically modified by a conductive polymeric meso-tetra(4-carboxyphenyl)porphyrinato nickel(II), abbreviated as poly-NiTCPP and also meso-tetra(4-carboxyphenyl)porphyrin with incorporated nickel(II) cations, abbreviated as, poly-TCPP/Ni, were investigated and compared. Both films were prepared by oxidative electro-polymerization of complexes by repetitive cyclic voltammetry (RCV) in 0.1 M NaOH aqueous solution. The electrochemical properties and behaviors and also kinetic values of both films have been characterized and compared using cyclic voltammetry (CV), chronoamperometry (CA) and electrochemical... 

Aggregated sub-micron size nitrogen doped TiO2 (N-TiO2) particles with superior optical and electrical features were successfully synthesized for embedding into commercial mesoporous TiO2 photoelectrode of dye sensitized solar cells (DSSCs) as the light scattering particles compared to undoped one. X-ray photoelectron spectroscopy and absorption spectra confirmed that the titanium dioxide is sufficiently doped by nitrogen in N-TiO2 sample. Employing these high-surface N-TiO2 in mesoporous photoelectrode of solar cells, the power conversion efficiency of 8% has been achieved which shows 17% improvement for the optimum embedded level of... 

Titanium nitride/graphene nanocomposite as an anode material of lithium ion batteries has been fabricated through the reaction of TiCl4 and NaN3 in supercritical benzene medium followed by ammonia treating at 1000 °C for 10 h. The synthesized TiN/G nanocomposite depicts rate-dependent behavior in such a way that it shows specific capacity of 115 mAh g−1 when is cycled at higher rate (1.6 C) while it shows 76 mAh g−1 when is cycled initially at lower rate (0.2 C) and is subsequently subjected to higher rate (1.6 C). Moreover, TiN/G anode demonstrates capacity retention of 112%, 100%, and 70% after 250 cycles at charge/discharge rates of 1.6, 0.7, and 0.2 C, respectively. This unusual behavior... 

Electrochemical activity of TiO2 nanotube arrays (NTAs) is restricted by a wide band gap of TiO2. To overcome this restriction, we considered systematic research on two effective methods of doping of TiO2 NTAs such as the N-doping and electrochemical reductive doping and predicting the proper application of them. Band gap narrowing was occurred from 3.16 eV for undoped TiO2 NTAs to 2.9 and 2.7 eV at N-doped and self-doped TiO2 ones respectively. The electrochemical responses of the TiO2 NTAs before and after doping were examined by cyclic Voltammetry (CV) curve. To understand the electrochemical behavior of the undoped and doped TiO2 NTAs, electrochemical impedance spectroscopy (EIS) was... 

Membrane separator based on the polyvinylidene fluoride (PVDF) is prepared via the non-solvent-induced phase separation (NIPS) method with water and ethanol as non-solvent and a mixture of dimethylformamide (DMF) and acetone as solvent. The effect of various acetone/DMF ratios and non-solvent material on the physical and electrochemical properties of the separator is studied by FE-SEM, tensile strength, electrochemical AC-impedance spectroscopy (EIS), thermal stability, and linear sweep voltammetry (LSV). The charge-discharge studies are carried out by fabricating a lithium foil/polymer electrolyte membrane/LiFePO4 cell. The results show that with the change of solvent and non-solvent, the... 

This work suggests a green method for synthesizing Au nanoparticles (AuNPs) using the aqueous extract of Salix aegyptiaca extract. The mechanism of green synthesized AuNPs was examined by molecular electrostatic potential (MEP) calculations. AuNPs were characterized with different techniques such as Ultraviolet–visible spectroscopy (UV–vis), Fourier-transform infrared spectroscopy (FT-IR) spectroscopy, X-ray diffraction (XRD), and Transmission electron microscopy (TEM). Electrochemical investigation of modified glassy carbon electrode using AuNPs (AuNPs/GCE) shows that the electronic transmission rate between the modified electrode and [Fe (CN)6]3−/4− increased. Process of oxidation, energy... 

Semiconducting lead sulfide film was deposited on Stainless Steel (SS) electrode by cyclic voltammetry (CV) at room temperature. Electrochemical impedance spectroscopy (EIS) and cyclic voltammetry were used to investigate the electrochemical properties of PbS film in Na2SO4 solution. The voltammetric results showed that oxidative dissolution of PbS film occurred at about 0.21 V vs. Ag/AgCl and total film detachment from the surface occurs with increasing potential. It is concluded that the electrode surface was not passivated by sulfur produced from oxidative dissolution of PbS film. Also, cathodic reduction of the film continued to beyond the hydrogen evolution at -1.35 V vs. Ag/AgCl.... 

Nitrates of lithium, cobalt and nickel are utilized to synthesize LiNi 0.8Co0.2O2 cathode material through sol-gel technique. Various synthesis parameters such as calcination time and temperature as well as chelating agent are studied to determine the optimized condition for material processing. Using TG/DTA techniques, the optimized calcination temperatures are selected. Different characterization techniques such as ICP, XRD and TEM are employed to characterize the chemical composition, crystal structure, size and morphology of the powders. Micron and nano-sized powders are produced using citric/oxalic and TEA as chelating agent, respectively. Selected powders are used as cathode material... 

In this work, V, Co-codoped TiO2(B) samples are synthesized through a hydrothermal method, and used as negative electrode materials for lithium ion batteries. The amount of dopants is varied in order to investigate their influence on electrochemical properties. The formation of V, Co-codoped TiO2(B) nanobelts with widths of 20 and 60 nm is demonstrated using X-ray diffraction, X-ray photoelectron spectroscopy, inductively coupled plasma–optical emission spectrometry and field-emission scanning electron microscopy analyses. In addition, the electrochemical properties of the samples are tested by cyclic voltammetry, charging/discharging, and cyclic performance techniques. Compared to other... 

The electrochemical behavior of lamotrigine (LMT) at the pyrolytic graphite electrode (PGE) is investigated in detail by the means of cyclic voltammetry. During the electrochemical reduction of LMT, an irreversible cathodic peak appeared. Cyclic voltammetric studies indicated that the reduction process has an irreversible and adsorption-like behavior. The observed reduction peak is attributed to a two-electron process referring to the reduction of azo group. The electrode showed an excellent electrochemical activity toward the electro-reduction of LMT, leading to a significant improvement in sensitivity as compared to the glassy carbon electrode. The results of electrochemical impedance... 

There are high attractions in the development of conducting polymer (CP) coatings to improve the electrochemical properties and biocompatibility of electrodes in the area of biosensors. A new type of the modified electrodes is prepared in a layer-by-layer process by using multi-walled carbon nanotube (MWCNT) and poly-pyrrole. In this procedure, the glassy carbon electrode is casted by a drop suspension of MWCNT, which leads to form a thin film of nanotube on its surface. In the second step, electrochemical polymerization of pyrrole in the presence of tiron (used as doping anion) is performed on the surface of the MWCNT pre-coated electrode. The modification procedure led to fabrication of a...