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Search results for: Electron%20collision%20spectroscopy%20of%20atoms%20and%20molecules
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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XPS data of MXene catalyst
Open Research DataData contain results from XPS measurement of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using 48% HF etching agent (MXene HF). The X-ray spectroscopy (XPS) measurements were conducted using Mg Ka (hn = 1253.6 eV) radiation in a Prevac (Poland) system equipped with a Scienta SES 2002 (Sweden) electron...
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The XAS spectra of O-K edges, Fe-L edges in pristine, La-, and Nb-doped SFM in 3 states: as-prepared, reduced and reoxidized
Open Research DataThis dataset contains the normalized and exported to *.txt spectra for x-ray absorption spectroscopy. The samples analyzed were strontium ferrite molybdate based, doped with lanthanum and niobium. The powders were measured in as-prepared state (denoted in filename as AP), reduced (red) and reoxidized (reox). The filenames are written accordingly: Edge_(optional:...
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Mechanical durability and electroanalytical performance of 3D-printed multi-material sensors
Open Research DataThe data set consists tensile strength, electric resistance, electrochemical characteristics and physicochemical studies of multi-material 3D printed systems, including their sensing performance during detection of antibiotics in an industrial sewage. Additionally, contact angle measurements and SEM micrographs of the electrode surfaces were included.
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Open Research DataThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The effect of cobalt addition on the corrosion behavior of near equiatomic NiTi shape memory alloy in normal saline solution, impedance and microscopic studies
Open Research DataThe electrochemical and corrosion (uniform and localized) behavior of a binary Ni52Ti48 shape memory alloy (SMA) and two ternary Ni52Ti48-xCox (x = 1.5 and 4.0 wt.%) SMAs were studied. Measurements were conducted in 0.9% NaCl solution at 37 oC. This dataset contains the results of electrochemical impedance spectroscopy (EIS) studies done on daily basis...
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SEM images of Solid Oxide Fuel Cell interface with La0.6Sr0.4Co0.2Fe0.8O3-δ oxygen electrodes sintered at 1050 °C before and after test
Open Research DataThis dataset contains cross section SEM images of Solid Oxide Fuel Cell interface with La0.6Sr0.4Co0.2Fe0.8O3-δ oxygen electrode sintered at 1050 °C before and after test. The cell was tested using Open Flanges™ test Set-up at 700 °C. During the test, the cell was aged for approximately 120 hours at a load of 0.5 A/cm^2. Images were obtained using...
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SEM images of Solid Oxide Fuel Cell interface with Sr0.95Ti0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C before and after test
Open Research DataThis dataset contains cross section SEM images of Solid Oxide Fuel Cell interface with Sr0.95Ti0.30Fe0.70O3-d oxygen electrode sintered at 800 °C before and after test. The cell was tested using Open Flanges™ test Set-up at 700 °C. During the test, the cell was aged for approximately 120 hours at a load of 0.5 A/cm^2. Images were obtained using a FEI...
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X-ray Photoelectron Spectroscopy studies of ammonium vanadate
Open Research DataThe DataSet contains the high-resolution XPS studies of the ammonium vanadate nanostructures obtained by the hydrothermal method. XPS analyses were carried out with an X-ray photoelectron spectrometer (Omicron NanoTechnology) with a 128-channel collector. The measurements were performed at room temperature in an ultra-high vacuum condition (below 1.1x10-8...
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Electrochemical impedance spectroscopy spectra measured at 700 °C on porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains results electrochemica impedance spectroscopy (EIS) of symmetrical cells with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at different temperaturs (800 °C, 900 °C and 1000 °C). EIS spectra were measured at 700 °C with synthetic air flow (21% O2, 40 ml min-1). Results converted to electrode surfaces area and dived by two...
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Electrochemical impedance spectroscopy spectra measured at 700 °C on porous SrTi0.65Fe0.35O3-d oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains results electrochemica impedance spectroscopy (EIS) of symmetrical cells with porous SrTi0.65Fe0.35O3-d oxygen electrodes sintered at different temperaturs (800 °C, 900 °C and 1000 °C). EIS spectra were measured at 700 °C with synthetic air flow (21% O2, 40 ml min-1). Results converted to electrode surfaces area and dived by two...
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Electrochemical impedance spectroscopy spectra measured at 700 °C on porous SrTi0.50Fe0.50O3-d oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains results electrochemica impedance spectroscopy (EIS) of symmetrical cells with porous SrTi0.50Fe0.50O3-d oxygen electrodes sintered at different temperaturs (800 °C, 900 °C and 1000 °C). EIS spectra were measured at 700 °C with synthetic air flow (21% O2, 40 ml min-1). Results converted to electrode surfaces area and dived by two...
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Transmission electron microscope (TEM) and optical microscope images of pristine and silica-coated bismuth oxide and gadolinium oxide particles
Open Research DataCollection of raw transmission electron microscope (TEM) micrographs and optical microscope images used in the associated manuscript. All data in accessible *.tif format. Zip package contains:
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Selection of DES for biotrickling filtration of air polluted with hexane and cyclohexane
Open Research DataDataset covers selected data collected during selection of deep eutectic solvent (DES) additive to mineral salt medium (MSM) as a liquid phase during biotrickling filtration of air polluted with hexane and cyclohexane.
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The corrosion studies of 3,4,5-trihydroxybenzoic acid as an effective corrosion inhibitor of low alloy steel
Open Research DataThe dataset contains the electrochemical studies evaluating if gallic acid is a corrosion inhibitor for low alloy steel. Three measurements were carried out each case; corrosion potential (label ecorr), electrochemical impedance spectroscopy (label eis) and cyclic polarization (label cp). The measurements were carried out in sodium chloride, acidified...
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Laser microscope profilometry of SrTi0.3Fe0.7O3-d electrode surface after quickly drying
Open Research DataThe dataset consists of a surface image, topography and profilometry obtained using a Keyence VK-X1000 confocal laser microscope for SrTi0.3Fe0.7O3-d electrode (STF70). Imaging was performed to determine surface roughness. The Keyence VK-X1000 uses a 404 nm laser to map and measure the surface of samples via confocal scanning or a wide-field variable...
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The influence of chitosan hydrogel coating on different redox probes kinetics
Open Research DataThis dataset contains cyclic voltammetry studies of three redox probes: 1 mM K3[Fe(CN)6], [K4Fe(CN)6], C12H14FeO2, and [Ru(NH3)6]Cl2 dissolved in 0.1 M KCl or PBS as the primary electrolyte. The studies are made for glassy carbon electrode (GC) and glassy carbon electrode covered with thin chitosan hydrogel membrane (C2A2). Cyclic voltammograms were...
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SEM micrographs of 3D printed CB-PLA samples topography after microwave treatment
Open Research DataThis dataset contains the electrochemical studies on microwave-activated carbon-black doped polylactic acid 3D printed electrodes.
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Open Research DataThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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AFM images of the platinum (111) single crystal surface as delivered, without the polishing treatment
Open Research DataPlatinum (111) single crystal surface images as delivered, without polishing treatment. Topographic measurements in contact mode. NTEGRA Prima (NT-MDT) device. CSG probe 10.
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Laser microscope profilometry of SrTi0.3Fe0.7O3-d electrode surface after slowly drying
Open Research DataThe dataset consists of a surface image, topography and profilometry obtained using a Keyence VK-X1000 confocal laser microscope for SrTi0.3Fe0.7O3-d electrode (STF70). Imaging was performed to determine surface roughness. The Keyence VK-X1000 uses a 404 nm laser to map and measure the surface of samples via confocal scanning or a wide-field variable...
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Partial PLA composite surface activation by femtosecond laser ablation
Open Research DataThe dataset contains the studies on electrochemical activity of PLA composite (commercially available CB-PLA Protopasta), which was 3D printed in a form of 1x1cm electrodes. The electrodes were submitted to femtosecond laser ablation operating with different parameters. These were: gas atmosphere (He or air, data in different subfolders), the percentage...
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Raman spectroscopy analysis of synthesized sol-gel silica coatings
Open Research DataThese data contains Raman spectra of silica coatings synthesized using sol-gel method A and B, which were described with publication associated with this dataset. Raman scattering was measured with a Renishaw microRaman spectrometer (830 nm).
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Electrochemical Impedance Spectroscopy data of PDA-modified TiO2 nanotubes
Open Research DataThis dataset contains Electrochemical Impedance Spectroscopy data of the samples from TiO2 nanotubes modified with polydopamine. The studies were presented as a part of the research on "Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine" (DOI: 10.1021/acs.jpcc.2c08804).
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UV/VIS Spectroscopy of titanium dioxide coated nickel foams
Open Research DataThe data includes UV-Vis spectra of titanium dioxide coated nickel foams heated at 400, 500 and 600 C in Ar. Jasco V-650 Spectrophotometer was used and Spectra Measurement software.
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X-ray Photoelectron Spectroscopy studies of salivary gland stones
Open Research DataThis dataset contains the high-resolution XPS studies for 23 cross-sections of salivary gland stones. The sialoliths were cut to determine the differences in composition between various regions: core (labeled as R), interlayer (labeled as P) and sialolith surface (labeled as Z).
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Impedance spectroscopy of the lithium titanate doped by copper thin films
Open Research DataLithium titanate doped by copper thin films were derived by sol-gel method. Prepared gel was deposited by spin-coating technique. Samples with various content of Cu were measured by impedance spectroscopy method in a wide range of temperature, from -120 up to 150 deg.
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Topography and microstructure of phosphate-iron glasses containing niobium and titanium
Open Research DataThe topography and microstructure of phosphate-iron glasses containing niobium and titanium were investigated by the means of X-ray diffraction (XRD), scanning electron microscopy (SEM). Glass samples of the composition of 35P2O5-30Fe2O3-(35-x)Nb2O5-xTiO2 where x= 0; 7.5 and 15 (in %mol) were prepared by the conventional melt quenching technique. Appropriate...
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Chemical composition of La-Sr-Ce-Ni-Ti ceramics material measured by XPS method
Open Research DataLa-Sr-Ce-Ni-Ti (LSCNT) based ceramics sample was manufactured by standard solid state reaction.Prepared powder was pressed into pilled and sintered in a furnace in air atmosphere for 10h. Annealing temperature was 1200 Celsius degree. To calculate chemical composition and determine valence states of the elements, X-Ray photoemission spectroscopy (XPS)...
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Images revealing the effect of local femtosecond laser ablation of conductive poly(lactic acid) 3D printed electrodes
Open Research DataThe dataset reveals the images of the femtosecond laser (FSL) ablation at the surface of commercially available carbon black-filled poly(lactic acid) 3D printed electrode. The process is used for the increase of the charge transfer of this electrode in electrochemical studies.
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Study of the chemical state of Gd in a Ba-La-Gd-Co based ceramic
Open Research DataBarium, Lanthanum, Gadolinium and Cobaltium precursors were used for production of ceramic materials. Samples were produced by standard solid state reaction. Samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing on a Gadolinum were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology....
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X-ray Photoelectron Spectroscopy studies of laser-induced titania nanotubes
Open Research DataThis dataset contains the results of high-resolution XPS studies obtained during the formation of the hollow nanopillar arrays through the laser-induced transformation of titania nanotubes.
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The electrochemical impedance spectroscopy studies of cataphoretic-grown epoxy-based coatings
Open Research DataThe dataset contains electrochemical impedance spectroscopy spectra collected for epoxy-based cataphoretic coatings in order to determine the offered anti-corrosion protection. Particular spectra pertain to the coatings applied for the different magnitude of polarization potential imposed, namely 10V, 20V and 30V. The results were obtained within the...
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Morphological and electrochemical characterization of ceramic carbon foam electrodes water treatment applications
Open Research DataThis dataset contains morphological and electrochemical characterization of ceramic carbon foam employed as an electrode (CFFE) for the oxidation of a target pollutant. The dataset includes:
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Rhetoric at school - a selection of the syllabi from the Academic Gymnasium in Gdańsk - transcription and photographs
Open Research DataThe following data set comprises a transcription (in txt and docx formats) and photographs (in jpg format) of the selected records from the Latin-language teaching syllabi termed 'Typus' or 'Catalogus lectionum' (an abbreviated title). Rhetoric is the main thematic criterion behind this choice. Various topics related to rhetoric have been taught not...
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SEM and Raman studies B:CNWs and BDD electrode used for electrochemical paraquat determination
Open Research DataThe dataset contains the scanning electron micrographs (SEM) and Raman spectra of B:CNWs and BDD samples deposited by MW-PECVD. SEM was used to characterise the morphology of BDD and B:CNW. In contrast, RAMAN was used to reveal the main differences in the crystalline structure of BDD and B:CNWs.
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List of administrative and tax preferences for electric vehicles owners in selected European countries
Open Research DataCurrent mechanisms for supporting electric vehicle owners are both economic (in the form of tax reliefs and direct subsidies) as well as administrative and legal. Examples from countries that have opted for different types of incentives present that they have leaded to increased demand for such vehicles. The following dataset is a summary list, including...
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Mechanisms for supporting electric vehicle purchasers in selected European countries in 2011-2016
Open Research DataThe European authorities have not developed a single common preference model for electric car buyers within the Union. Different countries have decided on different solutions. The following dataset presents mechanisms for supporting electric vehicle purchasers in selected European countries in years 2011-2016, including both economical (in the form...
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The Mott-Schottky characteristics of microwave pulsed-plasma polymerized allylamine by DEIS analysis
Open Research DataThe dataset contains the results obtained for the Mott-Schottky analysis of the microwave pulsed-plasma polymerized allylamine using the multifrequency perturbation signal with Dynamic Electrochemical Impedance Spectroscopy (DEIS) technique. The results were obtained using the perturbation composed of the elementary signals with a frequency range between...
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XPS measurements of the Fe-Pb-Si based glass
Open Research DataGlass samples with nominal compositions of xFe2O3-(50-x)PbO–50SiO2, where x = 12.5, 15, 17.5 (mol%) were prepared. Analytical grade substrates were used: Fe2O3, SiO2, and PbO. The appropriate amounts of reagents were mixed in an agate mortar. The powders obtained were melted in porcelain un-enamelled crucibles in an electric furnace at a temperature...
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Results of EIS measuremnts and DRT analysis of SrTi0.30Fe0.70O3-d oxygen electrode at 800 °C and 1% oxygen partial pressure by using three R-CPE fiting elements
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 800 °C and 1% of oxygen partial pressure. EIS and DRT spectra of simmulated three R-CPE elements from equivalent circuit,...
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Results of EIS measuremnts and DRT analysis of SrTi0.30Fe0.70O3-d oxygen electrode at 800 °C and 1% oxygen partial pressure by using two R-CPE fiting elements
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 800 °C and 1% of oxygen partial pressure. EIS and DRT spectra of simmulated two R-CPE elements from equivalent circuit,...
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Structure and optical measurements of Eu doped tellurium oxide thin films
Open Research DataThin films were deposited by magnetron sputtering method and simultaneously heated at 200 oC. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the films was examined by X-ray diffraction method. ...
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Fourier-transform infrared spectroscopy (FTIR) spectra of bulk boron and borophene flakes
Open Research DataThese data contain Fourier-transform infrared spectroscopy (FTIR) spectra of bulk boron and borophene flakes obtained during ball milling (450 rpm, 6 h, 1 g). Spectra were acquired to investigate the chemical bonds and functional groups on the surface of the pristine boron and borophene flakes.
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X-Ray photoemission spectroscopy measurements of the Nb-V-Sr-O ceramics
Open Research DataNiobium doped strontium vanadate based perovskite SrV1-xNbxO3-δ materials were prepared via conventional solid state reaction (SSR) method. For comparison, different samples with a various amount of niobium dopant in the structure were synthesized; x = 0; 0,2; 0,5; 0,8 and 1. Samples were sintered by two-steps: first under a pure hydrogen (purity >99.999%)...
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The electrochemical studies of CB-PLA electrode after surface activation by proteinase K digestion
Open Research DataThe dataset contains the electrochemical studies performed to evaluate surface activation of the CB-PLA 3D printed electrodes by enzymatic hydrolysis in a solution containing proteinase K (72h digestion period). Different enzyme concentrations were evaluated: 0.2, 0.4, 0.6 and 0.8 mg/ml. The studies were performed before surface activation, during and...
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The electrochemical response to Au electrode modification steps towards viral electrochemical immunosensor preparation
Open Research DataThe dataset contains the electrochemical measurements (CV/EIS) carried out for the consecutive steps of the Au electrode functionalization, in separate subfolders, as described. The cyclic voltammetry (CV) was conducted using a Palmsens 4 potentiostat/galvanostat system (Methrom, Autolab, Netherlands) in the standard three-electrode configuration, with...