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Wyniki wyszukiwania dla: Ex-situ XRD (X-ray Diffraction
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublikacjaThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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Evaluation of adhesive forces and the specific surface energy of zirconia stabilized by yttria with alumina additions ceramic by AFM method
PublikacjaThe adhesive forces and the specific surface energy of ceramic material surfaces are very important for further tribological and biomedical applications of ceramics. Partially stabilized zirconia (zirconium oxide) is popular for manufacturing various medical products. ZrO2 stabilized by Y2O3 with additions of 5 wt% alumina was produced by slip casting method with a subsequent sintering. Structure and chemical composition of ceramic...
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1,3,4-Thiadiazole-based diamides: Synthesis and complexation properties
PublikacjaAromatic diamides, derivative of 2,6-pyridinedicarboxylic acid and isophthalic acid, bearing 1,3,4-thiadiazole residue were prepared with satisfactory yields in conventional procedures and microwave stimulated reactions. X-ray structure of N,N-bis (1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide (2) DMSO solvate (2DMSO) was described. Selective zinc(II), lanthanum(III), terbium(III) and L-tyrosine recognition was found for N,N-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide...
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Use of radiography images and gray level co-occurrence matrix to investigate gravitational granular flow
PublikacjaThe paper presents analysis of granular gravitational flow based on radiography images processing. The investigations were conducted for silo model geometry with concentric/eccentric discharging modes. The continuous X-ray radiography scans of granular material distribution, acquired during flow, were obtained by means of an especially designed model silo with rectangular bin and different settings of hopper angles. Image processing...
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CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublikacjaWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
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Corrosion Inhibition of Aluminium Alloy AA6063-T5 by Vanadates: Local Surface Chemical Events Elucidated by Confocal Raman Micro-Spectroscopy
PublikacjaChemical interactions between aqueous vanadium species and aluminium alloy AA6063-T5 were investigated in vanadate-containing NaCl solutions. Confocal Raman and X-ray photoelectron spectroscopy experiments were utilised to gain insight into the mechanism of corrosion inhibition by vanadates. A greenish-grey coloured surface layer, consisting of V+4 and V+5 polymerized species, was seen to form on the alloy surface, especially on...
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublikacjaSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Ordered titania nanotubes layer selectively annealed by laser beam for high contrast electrochromic switching
PublikacjaThe phase conversion from amorphous into crystalline one in the selected area of as-anodized titania nanotubes was achieved via laser treatment. The optimized processing parameters enable fast, one-minute crystallization of titania within an area limited by a shadow mask and without any morphology damage of ordered TiO2 tubular film. The laser annealed titania nanotubes could be easily overgrown by a conducting polymer without...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublikacjaNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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Internal imaging of concrete fracture based on elastic waves and ultrasound computed tomography
PublikacjaThe condition assessment of concrete structures belongs to the greatest challenges of non-destructive testing. Monitoring the fracture process of concrete and detecting cracks at the earliest possible stage is a vital aspect to ensure the safety of civil engineering objects. The use of ultrasound tomography enables imaging the internal structure of a tested element. This study aims at the visualization of fracture damage in concrete...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublikacjaMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Binder-induced surface structure evolution effects on Li-ion battery performance
PublikacjaA 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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Novel tetrahedral cobalt(II) silanethiolates: structures and magnetism
PublikacjaThree heteroleptic complexes of Co(II) tri-tert-butoxysilanethiolates have been synthesized with piperidine [Co{SSi(OtBu)3}2(ppd)2] 1, piperazine [Co{SSi(OtBu)3}2(NH3)]2(μ-ppz)·2CH3CN 2, and N-ethylimidazole [Co{SSi(OtBu)3}2(etim)2] 3. The complexes have been characterized by a single-crystal X-ray, revealing their tetrahedral geometry on Co(II) coordinated by two nitrogen and two sulfur atoms. Complexes 1 and 3 are mononuclear,...
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Hydration of Oxometallate Ions in Aqueous Solution
PublikacjaThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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XPS data of MXene catalyst
Dane BadawczeData 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
Dane BadawczeThis 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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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublikacjaThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Modelling of acoustic backscattering by southern Baltic herring
PublikacjaAssessment of Baltic herring abundance can be carried out using acoustic techniques. Analysis of the relationship between the Baltic herring individual target strength, TS, and the total fish length, L, important for the acoustic assessment, showed the relationship to be dependent on the location of the study area. This finding motivated a detailed analysis of the relationship for the herring occurring in the southern Baltic...
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Bis(ammonium) Zoledronate Dihydrate
PublikacjaNeutralization of 2-(1-imidazole)-1-hydroxyl-1,1`-ethylidenediphosphonic acid (zoledronic acid) by an excess of ammonia yielded bis(ammonium) zoledronate dihydrate, {C5H8N2O7P2 2−, 2(H4N+), 2(H2O)}. The product is readily soluble in water and forms monocrystals for which the X-ray structural analysis was carried out. The zoledronic anion is of double negative charge due to deprotonation of three P–OH groups and protonation of the...
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Radiosensitization of DNA in presence of Pt(II)-based compounds
PublikacjaX-ray irradiation of plasmid DNA in presence of platinum (II)-based compounds was carried out in order to assess the radiosensitization capabilities of these drugs. In present investigations pBR322 plasmid DNA was used to monitor the effectiveness of chosen compounds in inducing strand breaks. Samples were incubated in the presence of potential radiosensitisers: platinum (II) bromide and cis-diamminedibromoplatinum (II). The results...
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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublikacjaThe Ge0.77Ag0.1Sb0.13Te1alloy was fabricated by a novel two step route. For that purpose firstly the oxide reagents were melted at high temperature and quenched into pellets. After that pellets were milled to the powder and then reduced in hydrogen at various temperatures and for various periods of time. Energy dispersive X-ray analysis indicated the possibility of successful fabrication of stoichiometric thermoelectric materials...
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Surprising Radiolytic Stability of 8‑Thiomethyladenine in an Aqueous Solution
Publikacja8-Thiomethyladenine (ASCH3), a potentially radiosensitizing modified nucleobase, has been synthesized in a reaction between 8-thioadenine and methyl iodide. Despite favorable dissociative electron attachment (DEA) characteristics, the radiolysis of an aqueous solution of ASCH3 with a dose of X-ray amounting to as much as 300 Gy leads to no effects. Nevertheless, crossed electron-molecule beam experiments in the gas phase on ASCH3...
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Advances in mass spectrometry for iron speciation in plants
PublikacjaIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublikacjaA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
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Synthesis of Phosphonated Carbon Nanotubes: New Insight into Carbon Nanotubes Functionalization
PublikacjaCarbon nanotubes were successfully functionalized for the first time in a free radical phosphonylation reaction. Three synthetic protocols were proposed. Carbon nanotubes and diethylphosphite reacted in the presence of known radical initiator, such as azobisisobutyronitrile, single electron oxidant—Mn(OAc)3, or under UV radiation. The functionalized material was fully characterized by means of spectroscopic methods, together with...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublikacjaHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Structural, electrical, and magnetic study of La-, Eu-, and Er- doped bismuth ferrite nanomaterials obtained by solution combustion synthesis
PublikacjaIn this work, the multiferroic bismuth ferrite materials Bi0.9RE0.1FeO3 doped by rare-earth (RE = La, Eu, and Er) elements were obtained by the solution combustion synthesis. Structure, electrical, and magnetic properties of prepared samples were investigated by X-ray photoelectron spectroscopy, Mössbauer spectroscopy, electrical hysteresis measurement, broadband dielectric spectroscopy, and SQUID magnetometry. All obtained nanomaterials...
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Effects of V2O5 Additive on Structure and Dielectric Properties of BiNbO4 Ceramics
PublikacjaGoal of the present research was to investigate the influence of V2O5 additive on the structure and dielectric properties of BiNbO4 ceramics. To fabricate BiNbO4 ceramics with V2O5 added the solid state reaction route and pressureless sintering was utilized. Thus obtained ceramics was characterized in terms of its microstructure (SEM), chemical composition (EDS), phase composition and crystalline structure (X-ray phase and structural...
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SEM image and EDS map of SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C
Dane BadawczeThis dataset contains image of the SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C with EDS map analysis results. This study were performed for better understanding the chemical composition of flat like structures that occurs in electrode. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope...
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Analysis of the chemical composition of MnO-B2O3 glass
Dane BadawczeStructural and thermal properties of xMnO−(100−x)B2O3 (where x = 40, 50 and 60 mol%) glass samples have been investigated with the employment of various techniques. Fourier transform infrared spectroscopy results revealed the influence of MnO on glass matrix. Decrease of B–O bond-related band intensities has been observed. MnO addition was found to...
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Controlling the size and morphology of precipitated calcite particles by the selection of solvent composition
PublikacjaCalcium carbonate particles were obtained in the reaction of calcium hydroxide with carbon dioxide at 65°C. Initial Ca(OH)2 suspensions were prepared in pure water and aqueous solutions of ethylene glycol or glycerol of the concentration range up to 20% (vol.). The course of reaction was monitored by conductivity measurements. Precipitated solids were analyzed by FTIR, XRD, SEM and the particles size distribution was determined...
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Petrophysical analyses of rock construction materials from the Roman rural settlement in Podšilo bay on Rab island (NE Adriatic, Croatia)
PublikacjaThis article presents the results of petrophysical analyses of limestones and sandstones used for the construction of the wall structures of a Roman rural settlement located in Podšilo Bay on Rab Island (Croatia). An on-site analysis of the walls indicated the use of different lithotypes, which is an uncommon case in the area. So far, no petrophysical properties of the applied materials have been tested, and their provenance...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Impact damage in SiO2 nanoparticle enhanced epoxy – Carbon fibre composites
PublikacjaLow velocity impact behaviour of nano-SiO2 enhanced carbon fibre/epoxy composites for naval applications is reported. Epoxy resin matrix was enhanced by 1- 8 wt% SiO2 nanoparticles, based on industrial surface-modified nanosilica. Impact parameters: force, deformation, energy, damage size were recorded. The most pronounced effect was damage size decrease; e.g. ∼28% recorded by infrared thermography and X-ray computed radiography...
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Properties of Composite Oxide Layers on The Ti13Nb13Zr Alloy
PublikacjaThe development of composite oxide layers on the Ti13Nb13Zr alloy, their structure and properties have been demonstrated. Two subsequent methods were applied to prepare the composite layers. During the first stage gas oxidation produced a solid oxide layer, and subsequently oxide nanotubes were produced by using an electrochemical method. Scanning electron microscopy (SEM), chemical analysis, energy dispersive X-ray spectroscopy...
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Solid-State Modification of Poly(butylene terephthalate) with a Bio-Based Fatty Acid Dimer Diol Furnishing Copolyesters with Unique Morphologies
PublikacjaCopolyesters based on poly(butylene terephthalate) (PBT) and a bio-based fatty acid dimer diol (FADD) were prepared by solid-state modification (SSM). The chemical incorporation of the FADD into the backbone of the PBT was proven using various techniques. It was clear that the incorporation rate was diffusion-limited rather than reaction-limited. From quantitative 13C NMR a nonrandom chemical microstructure was obtained at all...
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Laser induced formation of copper species over TiO2 nanotubes towards enhanced water splitting performance
PublikacjaWe proposed fast and scalable route where the ordered TiO2 nanotubes coated with thin copper layers were annealed by the laser beam of 355 nm wavelength at different fluencies in the range of 15–120 mJ/cm2. As a result, copper species are integrated with the titania substrate and the formed material exhibits unique optical absorption bands in the visible range. Moreover, X-ray photoelectron spectroscopy analysis reveals the formation...
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MgPd2Sb : A Mg-based Heusler-type superconductor
PublikacjaWe report the synthesis and physical properties of a full Heusler compound, MgPd2Sb, which we found toshow superconductivity belowTc=2.2K. MgPd2Sb was obtained by a two-step solid-state reaction methodand its purity and cubic crystal structure [Fm-3m,a=6.4523(1) Å] were confirmed by powder x-ray diffrac-tion. Normal and superconducting states were studied by electrical resistivity, magnetic susceptibility, andheat...
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Mechanical Behavior of Bi-Layer and Dispersion Coatings Composed of Several Nanostructures on Ti Substrate
PublikacjaThree coatings suitable for biomedical applications, including the dispersion coating composed of multi-wall carbon nanotubes (MWCNTs), MWCNTs/TiO2 bi-layer coating, and MWCNTs-Cu dispersion coating, were fabricated by electrophoretic deposition (EPD) on Ti Grade II substrate. Optical microscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and nanoindentation were applied to study topography, chemical, and...
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The Effect of C45 Carbon Black-Phosphomolybdic Acid Nanocomposite on Hydrogenation and Corrosion Resistance of La2Ni9Co Hydrogen Storage Alloy
PublikacjaIn this paper, we analysed the influence of corrosion processes and the addition of a carbon black-heteropoly phosphomolybdic acid (C45-MPA) nanocomposite on the operating parameters of a hydride electrode obtained on the basis of the intermetallic compound La2Ni9Co. The electrochemical properties of negative electrodes for NiMH batteries were studied using galvanostatic charge/discharge curves, the potentiostatic method, and electrochemical...
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Numerical investigations of discrete crack propagation in Montevideo splitting test using cohesive elements and real concrete micro-structure
PublikacjaThe paper is aimed at accurately predicting the discrete fracture process in concrete specimens under complex stress states in two dimensional (2D) simulations. Plain concrete specimens subjected to Montevideo splitting test (MVD) were used for consideration due to non-negligible shear stresses impact in this type of test. In order to reflect the heterogeneous nature of the concrete, the meso-structure of the samples was included...
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The XPS studies revealing the surface chemistry of Cu-Sn-TiO2 nanocomposite coatings
Dane BadawczeThe dataset contains the X-Ray Photoelectron Spectroscopy (XPS) data of nanocomposite Cu-Sn-TiO2 coatings electrodeposited from oxalic acid bath containing Cu and Sn salts as well as TiO2 nanoparticles under various treatments: mechanical stirring, ultrasonic or none. The details of the electrodeposition process are presented in the descriptor file...
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at low temperature region
Dane BadawczeThe nonlinear electrcial properties of 50(Bi2VO5.5)-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 annealed glass at 593 K measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 50Bi2VO5.5-50SrB4O7 annealed glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 35Bi2VO5.5-65SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 35Bi2VO5.5-65SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of as-quenched 40Bi2VO5.5-60SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrical properties of as-quenched 40Bi2VO5.5-60SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 30Bi2VO5.5-70SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 30Bi2VO5.5-70SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 50(Bi2VO5.5)-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 45Bi2VO5.5-55SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 45Bi2VO5.5-55SrB4O7 glass was measured by impedance spectroscopy method.
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Dane BadawczeThe 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...