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Search results for: electrochemical simulation
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Electrochemical simulation of enzymatic transformations studied for the selected antitumor acridine derivatives
PublicationThe elucidation of the metabolic pathways and the biotransformation mechanisms of potential drugs is a crucial point in drug development. It allows to know the activation routes of the new biologically active compounds, especially in respect to their possible toxicity. Generally, in vivo or in vitro experiments with liver microsomes or hepatocytes are performed. However, these testing schemes are tedious, time consuming and of...
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublicationThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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Electrochemistry meets enzymes: Investigation of the biotransformation pathway of C-1311 based on electrochemical simulation in comparison to in vitro methods.
PublicationThe knowledge of the metabolic pathways and the biotransformation of new drugs is one of the major challenges in pharmaceutical research. It is crucial for elucidation of degradation routes of the new biologically active compounds, especially in the area of possible toxicity. Conventional in vitro drug metabolism studies are based on incubating drug candidate with e.g. hepatocytes or, most importantly, liver cell microsomes and...
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Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053
PublicationElectrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...
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Phase I and phase II metabolism simulation of antitumor-active 2-hydroxyacridinone with electrochemistry coupled on-line with mass spectrometry.
PublicationHere, we report the metabolic profile and the results of associated metabolic studies of 2-hydroxyacridinone (2-OH-AC), the reference compound for antitumor-active imidazo- and triazoloacridinones. Electrochemistry coupled with mass spectrometry was applied to simulate the general oxidative metabolism of 2-OH-AC for the first time. The reactivity of 2-OH-AC products to biomolecules was also examined. The usefulness of the electrochemistry...
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A novel hierarchically-porous diamondized polyacrylonitrile sponge-like electrodes for acetaminophen electrochemical detection
PublicationA novel composite electrode material consisting of tangled fibrous polyacrylonitrile-based hierarchically-struc- tured nanocomposites has been produced by wet-spinning, carbonized and decorated with a carbon nano- architecture by microwave plasma-enhanced chemical vapor deposition and investigated as a metal-free electrode for the enhanced electrochemical detection of acetaminophen. Surprisingly, the hierarchical fiber ar- chitecture...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublicationA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Electrochemistry/mass spectrometry (EC/MS) for fast generation and identification of novel reactive metabolites of two unsymmetrical bisacridines with anticancer activity.
PublicationThe development of a new drug requires knowledge about its metabolic fate in a living organism, regarding the comprehensive assessment of both drug therapeutic activity and toxicity profiles. Electrochemistry (EC) coupled with mass spectrometry (MS) is an efficient tool for predicting the phase I metabolism of redox-sensitive drugs. In particular, EC/MS represents a clear advantage for the generation of reactive drug transformation...
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Enhanced photocatalytic properties of lanthanide-TiO2 nanotubes: An experimental and theoretical study
PublicationA series of Er-, Yb-, Ho-, Tb-, Gd-, Pr-TiO2 nanotubes (RE-NTs) was prepared via an electrochemical method. The as-prepared photocatalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV–vis absorption, scanning electron microscopy (SEM) and luminescent spectroscopy. The experiments demonstrated that toluene in the gas phase was successfully degraded under visible light (LEDs λmax = 465...
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AC-DC-DC Converter for Small Power Energy Storage Systems
PublicationThe energy transformation driven by the development of renewable energy sources has become a reality for all power grid users. Prosumer energy, primarily utilizing photovoltaic installations, is one of the fastest-growing market segments. The advancement of technology, a decrease in electrochemical energy storage prices, and changes in the legal framework governing energy billing for grid-fed power have led to a growing interest...
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Status report on high temperature fuel cells in Poland – Recent advances and achievements
PublicationThe paper presents recent advances in Poland in the field of high temperature fuel cells. The achievements in the materials development, manufacturing of advanced cells, new fabrication techniques, modified electrodes and electrolytes and applications are presented. The work of the Polish teams active in the field of solid oxide fuel cells (SOFC) and molten carbonate fuel cell (MCFC) is presented and discussed. The review is oriented...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Low-coherence photonic method of electrochemical processes monitoring
PublicationWe present an advanced multimodality characterization platform for simultaneous optical and electrochemical measurements of ferrocyanides. Specifcally, we combined a fber-optic Fabry– Perot interferometer with a three-electrode electrochemical setup to demonstrate a proof-ofprinciple of this hybrid characterization approach, and obtained feasibility data in its monitoring of electrochemical reactions in a boron-doped diamond flm...
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Application of electrochemical sensors and sensor matrixes for measurement of odorous chemical compounds
PublicationIn this paper describes the principle of operation of the electrochemical sensors and the sensor matrixes comprised of electrochemical sensors intended for measurement of odorous compounds. Critical comparison of these sensors’ advantages and disadvantages has been made. The fields of economy contributing to release of odours and the potential sources of their emission have been identified. Commercially available electrochemical...
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Annealing of indium tin oxide (ITO) coated optical fibers for optical and electrochemical sensing purposes
PublicationGlass and fiber structures with Indium Tin Oxide (ITO) coating were subjected to annealing in order to identify impact of the thermal treatment on their optical and electrochemical properties. It is shown that the annealing process significantly modifies optical properties and thickness of the films, which are crucial for performance of optical fiber sensors. Moreover, it visibly improves electrochemical activity of ITO on glass...
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Electrochemical Evaluation of Sustainable Corrosion Inhibitors via Dynamic Electrochemical Impedance Spectroscopy
PublicationFinding suitable measurement methods for the effective management of electrochemical problems is of paramount importance, particularly for improving efficiency in corrosion protection. The need for accurate measurement techniques specific to nonstationary conditions has long been recognized, and promising approaches have emerged. This chapter introduces dynamic electrochemical impedance spectroscopy as a novel advancement in electrochemistry...
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A comprehensive evaluation of mimosa extract as a corrosion inhibitor on AA6060 alloy in acid rain solution: part I. Electrochemical AC methods
PublicationThe inhibition effect of mimosa extract on the corrosion of AA6060 aluminum alloy in acid rain solution was investigated by electrochemical impedance spectroscopy and dynamic electrochemical impedance spectroscopy (DEIS). All the studied electrochemical parameters showed good corrosion inhibitive characteristics with respect to the aluminum alloy in the tested solution. Inhibitor efficiency increased with the concentration and...
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Application of galvanodynamic impedance spectroscopy for studying passive film cracking under mechanical strain
PublicationThe paper reports the results of simultaneous mechanical and electrochemical investigations on austenitic (18/8) stainless steel in a 2 % solution of sulphuric acid. The measurements were performed using Galvanodynamic Electrochemical Impedance Spectroscopy (GDEIS). Electrochemical analysis of mechanical passive layer cracking and repassivation conditions during a tensile test was carried out. Application of this methodology allowed...
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Optical Detection of Ketoprofen by Its Electropolymerization on an Indium Tin Oxide-Coated Optical Fiber Probe
PublicationIn this work an application of optical fiber sensors for real-time optical monitoring of electrochemical deposition of ketoprofen during its anodic oxidation is discussed. The sensors were fabricated by reactive magnetron sputtering of indium tin oxide (ITO) on a 2.5 cm-long core of polymer-clad silica fibers. ITO tuned in optical properties and thickness allows for achieving a lossy-mode resonance (LMR) phenomenon and it can be...
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Binder-induced surface structure evolution effects on Li-ion battery performance
PublicationA comparative investigation on binder induced chemical and morphological evolution of Li4Ti5O12 electrodes was performed via X-ray photoemission spectroscopy, scanning electron microscopy, and electrochemical measurements. Composite electrodes were obtained using three different binders (PAA, PVdF, and CMC) with 80:10:10 ratio of active material:carbon:binder. The electrochemical performances of the electrodes, were found to be...
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Evidence for solid state electrochemical degradation within a small molecule OLED
PublicationAcridone derivative have been synthesised and used as OLED (Organic Light Emitting Diode) emitters which were found to be electroactive. Electrochemical investigations showed a side reaction takes place inside an active layer which diminished the overall device efficiency. By using a dopant and host active layer architecture, the formation of the by product was removed. The by-product was identified as a σ-dimer formed inside an...
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Polynomial description of dynamic impedance spectrogram—introduction to a new impedance analysis method
PublicationThis paper presents a polynomial description of spectrograms obtained using Dynamic Electrochemical Impedance Spectroscopy. A method to fit the polynomial degree correctly is discussed. A simple electrical system of a diode connected in parallel with a capacitor was used for testing. Dynamic impedance measurements during potentiodynamic polarization were conducted. This paper presents an alternative analysis method that allows...
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Phospholipid-functionalized gold electrode for cellular membrane interface studies - interactions between DMPC bilayer and human cystatin C
PublicationThis work describes the electrochemical studies on the interactions between V57G mutant of human cystatin C (hCC V57G) and membrane bilayer immobilized on the surface of a gold electrode. The electrode was modified with 6-mercaptohexan-1-ol (MCH) and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC). DMPC was used as a membrane mimetic for monitoring electrochemical changes resulting from the interactions between the functionalized...
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Electroactive polymer/graphene oxide nanostructured composites; evidence for direct chemical interactions between PEDOT and GOx
PublicationThis work concerns electrochemical synthesis of nanocomposites consisting of conducting polymer and reduced graphene oxide (rGOx) as electrode materials for supercapacitors. The electrosynthesis was performed in an aqueous solution of the 3,4-ethylenedioxytiophene (EDOT) monomer and graphene oxide (GOx) without supporting electrolyte. The amount of GOx was optimized to obtain the best electrochemical performance of the nanocomposite...
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Optical investigations of electrochemical processes using a long-period fiber grating functionalized by indium tin oxide
Publicationhe growing needs for fast and reliable sensing devices stimulate development of new technological solutions. In this work a new multi-domain sensing method is demonstrated where optical sensing device has been applied to enhance amount of data received during electrochemical analysis. Thin, optically transparent, high-refractive-index, and electrically conductive indium tin oxide (ITO) film was deposited using magnetron sputtering...
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Study on Combined Optical and Electrochemical Analysis Using Indium-tin-oxide-coated Optical Fiber Sensor
PublicationThe growing needs for fast and reliable sensing devices stimulate development of new technological solutions. In this work a new multi-domain sensing method is demonstrated where optical sensing device has been applied to enhance amount of data received during electrochemical analysis. Thin, optically transparent, high-refractive-index, and electrically conductive indium tin oxide (ITO) film was deposited using magnetron sputtering...
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Enhanced electrochemical kinetics of highly-oriented (111)-textured boron-doped diamond electrodes induced by deuterium plasma chemistry
PublicationNovel highly-oriented (111)-textured boron-doped diamond electrodes (BDDD) featuring high electrochemical activity and electrode stability toward electrochemical analytics were fabricated by deuterium-rich microwave plasma CVD. The high flux deuterium plasma-induced preferential formation of (111)-faceted diamond as revealed by XRD. The highly-oriented diamond surface exhibited improved boron dopant incorporation and activation,...
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In-situ monitoring of electropolymerization processes at boron-doped diamond electrodes by Mach-Zehnder interferometer
PublicationIn this work, the Mach-Zehnder interferometer was designed to monitor the electrochemical processes conducted at boron-doped diamond electrode surface. The diamond electrodes were synthesized via Microwave Plasma-Assisted Chemical Vapor Deposition on optical grade quartz glass. The achieved transmittance in working are of diamond electrodes reached 55 %. A cage system-based Mach-Zehnder interferometer was used which allowed the...
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A Comprehensive Analysis of Impedance of the Electrochemical Cell
PublicationA comprehensive impedance characteristics of two electrodes electrochemical cell has been pre sented. In this method a multisinusoidal current excitation signal is used. The change of potential of both the electrodes are all registered as a function of time. The proposed method gives the possibility of determining the impedance of both electrodes individually as well as the impedance of a twoelectrode system. Additional application...
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Diamond protection for reusable ZnO coated fiber-optic measurement head in optoelectrochemical investigation of bisphenol A
PublicationDue to the global problem with plastic contaminating the environment, with bisphenol A (BPA) being one of the highest demand, effective monitoring and purification of the pollutants are required. The electrochemical methods constitute a good solution but, due to polymerization of electrochemical oxidation bisphenol A products and their adsorption to the surfaces, measurement head elements are clogged by the formed film. In this...
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Heterogeneous oxidation of highly boron-doped diamond electrodes and its influence on the surface distribution of electrochemical activity
PublicationThe electrochemical active surface area (EASA) of polycrystalline boron-doped diamond (BDD) electrodes is heterogeneous and can be affected by numerous factors. There is a strong need for proper consideration of BDD heterogeneity in order to improve this material's range of application in electrochemistry. Localized changes in surface termination due to the influence of oxidation agent result in increased surface resistance. The...
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Electrochemical and in silico approaches for liver metabolic oxidation of antitumor-active triazoloacridinone C -1305
Publication5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) is a promising antitumor compound developed in our laboratory. A better understanding of its metabolic transformations is still needed to explain the multidirectional mechanism of pharmacological action of triazoloacridinone derivatives at all. Thus, the aim of the current work was to predict oxidative pathways of C-1305 that would reflect its phase I metabolism. The...
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Evaluation of cathode materials for electrochemical photocatalyst deposition
PublicationElectrochemical deposition of photocatalyst, especially TiO2, onto several cathode materials was investigated and evaluated. The deposited films were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectrometer (EDX) and electrochemical measurements. Photocatalytic activity was determined by the decomposition of cyclohexane in air by irradiation with ultraviolet light emitting diodes. It was found that...
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Low cost electrochemical sensor module for measurement of gas concentration
PublicationThis paper describes a low cost electrochemical sensor module for gas concentration measurement. A module is universal and can be used for many types of electrochemical gas sensors. Device is based on AVR ATmega8 microcontroller. As signal processing circuit a specialized integrated circuit LMP9l000 is used. The proposed equipment will be used as a component of electronic nose system employed for classifying and distinguishing...
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Chestnut-Derived Activated Carbon as a Prospective Material for Energy Storage
PublicationIn this work, we present the preparation and characterization of biomass-derived activatedcarbon (AC) in view of its application as electrode material for electrochemical capacitors. Porouscarbons are prepared by pyrolysis of chestnut seeds and subsequent activation of the obtainedbiochar. We investigate here two activation methods, namely, physical by CO2and chemical usingKOH. Morphology, structure and specific surface area (SSA)...
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Effect of dendrimer-based interlayers for enzyme immobilization on a model electrochemical sensing system for glutamate
PublicationIn this paper, we discuss dendrimer usage in enzyme-based electrochemical biosensors, particularly with respect to biomolecule loading on the sensing surface. A novel approach to design bioactive layers with immobilized enzymes for electrochemical biosensors using the surface plasmon resonance (SPR) method in combination with electrochemical impedance spectroscopy was presented. The gold surface was modified with linear linkers...
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Electrochemical degradation of textile dyes in a flow reactor: effect of operating conditions and dyes chemical structure
PublicationIn this study, electrochemical oxidation of five azo dyestuffs (Yellow D-5GN, Red D-B8, Ruby F-2B, Blue D-5RN, Black DN), that are widely used in the textile industry, was investigated in a flow reactor. BDD electrode with a high boron doping level (C/B = 10 000) was prepared and used. Two configurations of reactor were considered, i.e., one with the undivided cell, and the other with the cell divided by anodic and cathodic compartments....
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Enhanced photoelectrochemical and photocatalytic performance of iodine-doped titania nanotube arrays
PublicationThe paper discusses the synthesis and performance of iodine doped titania nanotube arrays exhibited under irradiation. The doping procedure was performed as an additional, electrochemical process carried out after formation of nanotube arrays via anodization of Ti substrate. The optical and structural properties were characterized using Raman, UV-vis, photoluminescence and X-ray photoelectron spectroscopy. The surface morphology...
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Electrochemical capacitor temperature fluctuations during charging/discharging processes
PublicationThepaperpresentsaproposalofusingadditionalstatisticalparameterssuchas:standarddeviation,variance, maximum and minimum increases of the observed value that were determined during measurements of temperature fields created on the surface of the tested electrochemical capacitor. The measurements were carriedoutusingthermographicmethodsinordertosupportassessmentoftheconditionofelectrochemical capacitorunderclassicdurabilitytestsbasedonmethodsofdeterminationofcapacityandequivalentseries...
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Simultaneous impedance and volumetric studies and additionally potentiodynamic polarization measurements of molasses as a carbon steel corrosion inhibitor in 1M hydrochloric acid solution
PublicationThe inhibition effect of molasses on the corrosion of low carbon steel in 1M hydrochloric acid solution was investigated by volumetric and electrochemical measurements. Potentiodynamic polarization and dynamic electrochemical impedance spectroscopy (DEIS) results were obtained and compared with to those, obtained with the hydrogen evolution technique. All results indicate that molasses functioned as a good inhibitor in 1M hydrochloric...
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The influence of thermal treatment on electrocatalytic properties of Mn-Co nanofilms on nickel foam toward oxygen evolution reaction activity
PublicationThis work evaluates electrodeposited and differently treated Mn-Co catalysts for their oxygen evolution reaction activity. Catalysts are evaluated in the as-deposited and heat treated state: after 350 C and 600 C. Results show that the highest electrochemical activity is obtained for the as-deposited Mn-Co oxyhydroxide, which possibly possess a layered double hydroxide structure. After the heat treatment process, especially after...
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Conducting polymers for biodegradable metallic implants
PublicationNowadays permanent metallic cardiovascular stents are long-term implants. The long-time presence of such an implant in human body can cause overgrowth of tissue within the treated portion of the vessel, blockage of the circulatory system and many other clinical complications, such as thrombosis, prolonged physical irritations or chronic inflammation. Therefore, in recent years, there is an interest to create biodegradable metallic...
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Electrochemical Stability of Few-Layered Phosphorene Flakes on Boron-Doped Diamond: A Wide Potential Range of Studies in Aqueous Solutions
PublicationTwo-dimensional phosphorene has attracted great interest since its discovery as a result of its extraordinary properties. Two-dimensional single crystals of phosphorene can be useful for electrochemical (EC) sensing applications due to their enhanced surface-to-volume ratio. We proposed to investigate the electrochemical performance of phosphorene deposited directly on boron-doped diamond (BDD) electrodes. Noncovalent interaction...
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Optimization of boron-doping process of titania nanotubes via electrochemical method toward enhanced photoactivity
PublicationIn this work, we were focused on the development of the electrochemical approach resulting in a stable boron doping of titania nanotubes. The doping procedure concerns anodic polarization of as-anodized titania in a H3BO3 solution acting as n boron precursor. The series of attempts were taken in order to elaborate the most beneficial doping conditions. The parameters of electrochemical doping allowing to obtain boron-doped titania...
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Investigation of the electrochemical behaviour of AA1050 aluminium alloy in aqueous alkaline solutions using Dynamic Electrochemical Impedance Spectroscopy
PublicationThe paper presents the electrochemical behaviour of aluminium alloy AA1050 in aqueous alkaline media in the pH range 14–8.5. Electrochemical study was applied in order to obtain comprehensive information on the mechanism and kinetics of the process of anodic dissolution of aluminium, supplemented by monitoring of surface topography using an electron microscope. The corrosion rate of AA1050 increases with increasing concentration...
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Differential analysis of dynamic immittance spectra
PublicationThis work presents a new approach to the analysis of immittance spectrograms of systems characterised by non-stationarity. The possibility of linking the evolution of the immittance response with changes in the parameters describing the system is achieved by introducing a spectrum in differential form. By using the above procedure, it becomes possible to separate elements with a dependence (or lack thereof) from an independent...
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Optical monitoring of electrochemical processes with ITO-based lossy-mode resonance optical fiber sensor applied as an electrode
PublicationIn this work we discuss the application of optical fiber sensors based on lossy-mode resonance (LMR) phenomenon for real-time optical monitoring of electrochemical processes. The sensors were obtained by a reactive high power impulse magnetron sputtering of indium tin oxide (ITO) on a 2.5 cm-long core of polymer-clad silica fibers. The LMR effect made monitoring of changes in optical properties of both ITO and its surrounding medium...
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Time evolution of Electrochemical Impedance spectra of cathodically protected steel in artificial seawater
PublicationUsability of Electrochemical Impedance Spectroscopy data for better cathodic protection control was investigated. Carbon steel – S235JR2 grade specimen were exposed in artificial seawater environment. Samples were polarized and their potentials corresponded to four different cathodic protection degrees. Time evolution of Electrochemical Impedance spectra was investigated. Goodness of fit function (X2) was analysed in terms of proper...
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A negative effect of carbon phase on specific capacity of electrode material consisted of nanosized bismuth vanadate embedded in carbonaceous matrix
PublicationLithium-ion batteries (LIBs) are widely used all over the world. The LIBs belong to a renewable energy source and energy storage devices. The increase in energy demand causes that new materials of higher energy and higher power densities are still under investigation. Herein, we compare electrochemical properties of bismuth vanadate (BiVO4) embedded and not embedded into carbonaceous matrix as an anode material along with structural...
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Hydrothermal Cobalt Doping of Titanium Dioxide Nanotubes towards Photoanode Activity Enhancement
PublicationDoping and modification of TiO2 nanotubes were carried out using the hydrothermal method. The introduction of small amounts of cobalt (0.1 at %) into the structure of anatase caused an increase in the absorption of light in the visible spectrum, changes in the position of the flat band potential, a decrease in the threshold potential of water oxidation in the dark, and a significant increase in the anode photocurrent. The material...