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Search results for: RESONANCE RAMAN-SPECTRA
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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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Data on hydrogen migration in cation-induced dissociation of furan molecules
Open Research DataThe data include furan luminescence spectra obtained in collisions with H3+ and C+ cations and theoretical spectra of OH and CH radicals published in [1].
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Spectral reflectance modeling of ZnO layers made with Atomic Layer Deposition for application in optical fiber Fabry-Perot interferometric sensors
PublicationSuitability of zinc oxide (ZnO) layers grown using Atomic Layer Deposition for operation in optical-fiber extrinsic Fabry-Perot sensors is investigated using a numerical model. Reflectance spectra obtained using the developed model indicate that the application of these layers in optical-fiber extrinsic Fabry-Perot sensors is difficult as it may require a source whose spectrum width is about 300 nm. A series of ZnO layers grown...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublicationThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Low energy electron mass stopping power in H2
PublicationWe present experimental mass stopping powers of electrons in gaseous H2 obtained with a newly developed electron time-of-flight spectrometer, for the incident electron energy range of 10eV to 25eV. In our procedure the average energy loss is derived from our conversion of measured electron time-of-flight spectra into equivalent electron energy loss spectra so as to obtain the values of mass stopping power for electron scattering...
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Luminescence properties of TeOx gels
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx gels. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. The sol was obtained by vigorously stirring precursor solution at 50°C for 2h, then the temperature was raised...
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Theory of valence-band and core-level photoemission from plutonium dioxide
PublicationThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
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The fast identification of explosives, natcotics and other chemicals carried on board of ships or transported in containers
PublicationThe fast identification of explosives, narcotics and other chemicals carried on board of ships or transported in containers to the harbors is an important problem of maritime security. Raman spectroscopy is an advanced technique used in state-of-the art laboratories for fast identification of chemicals. No sample preparation is required, and identification can be carried out through transparent packing, such as plastic or glass,...
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A Computational Analysis of the Aerodynamic and Aeromechanical Behavior of a Thermo-Well for Steam Temperature Measurement in a Steam Turbine
PublicationThe goal of the paper is twofold: firstly, it presents computational fluid dynamics analysis for finding maximum unsteady flow forces (and their frequencies) acting on a thermo-well for measuring steam temperature in a steam turbine control stage and secondly, it presents computational solid dynamics analysis of possibility of entry into resonance of the thermowell structure. There have been analyzed two cases of flow with changing...
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Waterborne polyesters partially based on renewable resources
PublicationA new experimental approach for preparing biobased, water-soluble polyesters via titanium(IV) n-butoxide-catalyzed bulk polycondensation is presented. In the described method polymers were obtained from isosorbide, maleic anhydride and poly(ethylene glycol). The chemical structure of the synthesized polyesters was confirmed using 2D NMR spectroscopy and by titration methods. Careful analysis of 2D NMR spectra viz. Correlation Spectra...
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Structure of ammonium vanadate synthesis by LPE-IonEx method
Open Research DataThe DataSet contains the XRD patterns, FTIR spectra of NH4VO3 crystals with different morphology obtained by the LPE-IonEx method.
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Semi-adaptive feedback active control of MRI noise
PublicationA feedback controller is proposed for cancellation of magnetic resonance imaging (MRI) noise. The design of the controller takes into account specific features of the MRI noise signal. Simulation results show that a considerable rejection rate of the MRI noise can be obtained.
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Molecular level interpretation of excess infrared spectroscopy
PublicationInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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A study of the electronic states of pyrimidine by electron energy loss spectroscopy
PublicationThe electron energy loss spectra were measured in pyrimidine at the constant electron residual energy varied from 15 meV to 10 eV and in the scattering angle range 0–180°. The spectra were analysed applying an iteration fitting procedure to resolve the energy loss bands corresponding to excitation of the electronic states of pyrimidine. The vertical excitation energies of the singlet states of pyrimidine and of a number of the...
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Experimental determination of H2 mass stopping powers for low-energy electrons
PublicationWe present experimental mass stopping powers of electrons in gaseous H2 obtained with an electron time- of-flight spectrometer, for the incident electron energy range of 11 to 25 eV. In our procedure, the average energy loss is derived from conversion of the measured electron time-of-flight spectra into equivalent electron energy-loss spectra. Our present results are compared with the only available experimental measurement and...
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Kinetic analysis of the stage for a high speed steam turbine
PublicationThis article analyzes possibilites of resonances within a control stage for a high speed steam turbine. This stage hase been based on assembling of a single blade to a rotating disk and increasing of rigidity of the system by using of a bandage. In the analysis will be nd a possiblity of resonance frequency, and mistuning by showing safety working ranges. The calculations have bean used the3D modal and harmonic analysis by the...
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Low energy electron attachment to platinum(II) bromide (PtBr2)
PublicationtDissociative electron attachment to PtBr2in the gas phase was studied in the low electron energy rangefrom zero up to 10 eV with an energy resolution of 150 meV. The experiments were carried out using ahemispherical electron monochromator coupled with a quadrupole mass spectrometer and pulse count-ing acquisition system. The only anion observed was Br−. This ion is formed at three resonance electronenergies: 0.4 eV, 1.2 eV and...
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Techniki zwiększania efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur
PublicationWspółczesna elektronika ze względu na swój szybki rozwój wymaga od nas efektywnego modelowania zjawisk polowych. Celem rozprawy jest zwiększanie efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur oraz jej hybrydyzację z użyciem technik analitycznych. Rozprawa zawiera przegląd stanu wiedzy na temat dostępnych obecnie technik modelowania jak również opis...
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Absorption spectroscopy setup for determination of whole human blood and blood–derived materials spectral characteristics
PublicationA dedicated absorption spectroscopy system was set up using tungsten-halogen broadband source, optical fibers, sample holder, and a commercial spectrometer with CCD array. Analysis of noise present in the setup was carried out. Data processing was applied to the absorption spectra to reduce spectral noise, and improve the quality of the spectra and to remove the baseline level. The absorption spectra were measured for whole blood...
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Open Research DataAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublicationWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Luminescence properties of TeOx-Dy gels
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Dy gel. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of dysprosium ions were added, the nitrates were used as a source of rare-earth ions. The sol...
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Luminescence properties of TeOx-Tb gels
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Tb gel. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of terbium ions were added, the nitrates were used as a source of rare-earth ions. The sol was...
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Luminescence properties of TeOx-Eu gels
Open Research DataThe DataSet contains the emission and excitation spectra of TeOx-Eu gels. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of europium ions were added, the nitrates were used as a source of rare-earth ions. The sol...
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Effect of Pendolino high-speed rail on the structure of buildings located the proximity of the railway tracks
PublicationThe following research focuses on the dynamic analysis of the impact of the high-speed train inducted vibrations on the structures located near railway tracks. The office complex chosen as the subject of calculations is located in the northern part of Poland, in Gdańsk, in the proximity of Pendolino, the high speed train route. The high speed trains are the response for the growing needs for more efficient railway system. However...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Distribution of relaxation times as a method of separation and identification of complex processes measured by impedance spectroscopy
PublicationImpedance spectroscopy is one of the most commonly performed measurements to characterize electronic and electrochemical systems. Impedance spectra have limited resolution and many different processes may overlap what could be the reason of obstructions in its proper later analysis. Up to date, there are three approaches to solve this problem: examining impedance spectra itself, fitting spectra with equivalent circuits, and calculating...
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XPS (X-ray photoelectron spectroscopy) of titanium dioxide coated nickel foams and heated 400,500, 600C
Open Research DataThis data set contains XPS spectra recorded for nickel foams coated with titanium dioxide and heated at 400, 500 and 600 degrees celcius.
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Spectroscopic Study of Plasma Polymerized a-C:H Films Deposited by a Dielectric Barrier Discharge
PublicationPlasma polymerized a-C:H thin films have been deposited on Si (100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using C2Hm/Ar (m = 2, 4, 6) gas mixtures. The deposited films were characterized by Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS), Raman spectroscopy, and ellipsometry. FT-IRRAS revealed the presence of sp3 and sp2 C–H stretching and...
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Ionization and fragmentation of furan molecules by electron collisions
PublicationCation mass spectra obtained by electron impact were measured to investigate the ionization and ionic fragmentation of furan, C4H4O, molecules in the gas phase. The most abundant cations, with comparable intensities in the mass spectra, were the parent, C4H4O+, cation (68 amu) and the C3H3+ fragment (39 amu). The appearance energies of most of the observed ionic fragments were determined and the possible fragmentation processes...
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Influence of vacuum sublimation deposited metal layer thickness on metrological parameters of the amperometric gas sensor with Nafion membrane
PublicationThe paper presents the results of investigation on an influence of vacuum sublimation deposited platinum layer thickness on the signal, sensitivity and response time of a prototype of sulphur dioxide sensor with Nafion membrane. The working electrode was made by vacuum sublimation deposition of platinum on a surface of Nafion membrane. Pt layers deposited changed an initial structure of Nafion membrane and that phenomenon was utilized...
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Ionization and ionic fragmentation of tetrahydrofuran molecules by electron collisions
PublicationElectron impact ionization and ionic fragmentation of tetrahydrofuran molecules in the gas phase were studied in the energy range from ionization threshold up to 150 eV using the technique of mass spectrometry. The cation mass spectra, ionization and ionic fragmentation efficiencies were measured over this energy range. Well-resolved mass peaks were detected in the mass range 10-72 amu and assigned to corresponding ionic molecular...
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Olga Ciupak mgr inż.
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Koncepcja i analiza sensora/aktuatora piezoelektrycznego do pomiaru procesu starzenia się ludzkiej skóry
PublicationNiniejszy artykuł przedstawia nową koncepcję piezoelektrycznego sensora/aktuatora przeznaczonego do pomiaru właściwości mechanicznych tkanek miękkich a w szczególności skóry ludzkiej. Wyjaśnione jest analityczne podejście z wykorzystaniem schematu zastępczego Mason’a określającego aktuator w stanie rezonansu oraz opis metody impedancji elektromechanicznej wykorzystanej w systemie pomiarowym. Analiza z użyciem metody elementów...
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Comment on "Quantitative comparison of analysis methods for spectroscopic optical coherence tomography"
PublicationIn a recent paper by Bosschaart et al. [Biomed. Opt. Express 4, 2570 (2013)] various algorithms of time-frequency signal analysis have been tested for their performance in blood analysis with spectroscopic optical coherence tomography sOCT). The measurement of hemoglobin concentration and oxygen saturation based on blood absorption spectra have been considered. Short time Fourier transform (STFT) was found as the best method for...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublicationDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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Assembling and testing of quasi-static hybrid piezoelectric motor based on electroactive lubrication principle
PublicationThe presented paper concerns a novel concept of hybrid piezoelectric motor based on electroactive lubrication principle. Its structure is combined of quasi-static and resonance piezoelectric actuators, synchronizing their work to generate the rotary movement. The hybrid motor topology is compared to the existing piezoelectric motors, regarding its field of applications in embedded systems with very high security requirements. The...
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Prediction of Ship Resonant Rolling - Related Dangerous Zones with Regard to the Equivalent Metacentric Height Governing Natural Frequency of Roll
PublicationPotentially dangerous zones corresponding to dynamical stability phenomena, possibly encountered by ships sailing in rough sea, are estimated nowadays with the use of the method recommended by IMO in the guidance coded MSC.1/Circ.1228. In this IMO method the parameter governing the natural period of roll is the initial metacentric height. Some earlier studies revealed that the initial metacentric height...
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Micro-Raman spectroscopy in the studies of multiphase separated polyurethanes. [online] W: [Proc.] UTECH Europe 2003 . The International Polyurethane Industry Conference and Exhibition. 25/26/27 March 2003, The Hague, Netherlands. London: Crain Communications Ltd. Dostępny w World Wide Web: http://UTECH-2003.com + wydruk.**2003 [s. 123-130 bibliogr. 41 poz.]Mikro-Ramanowska spektroskopia w badaniach poliuretanów wykazujących separację wielofazową.
PublicationPrzedmiotem badań były trzy próbki poliuretanowe o zawartości 30% segmentówsztywnych otrzymanych z politlenku propylenu, diizocyjanianu difenylometanui butanodiolu. Próbki te wykazują morfologię wielofazową, w której można wy-różnić globule i sferolity rozproszone w matrycy polimerowej.Za pomocą spek-troskopii mikro-Ramana przeprowadzono mikroanalizę chemiczną wszystkich ele-mentów morfologicznych. Stwierdzono odmienny skład...
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Luminescence and FTIR measurements of B2O3-Bi2O3-SrF2 glass and glass-ceramics doped with Eu3+ ions
Open Research DataLuminescence and FTIR measurements of B2O3-Bi2O3-xSrF2+2Eu (x=10,20) glass and glass-ceramics. The emission and excitation spectra of the samples depend on the composition and annealing time.
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Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublicationSyntheses of N,N'-phenyltetrazole podands link with aliphatic chains containing oxygen, nitrogen and sulphur atoms, are described. The complexing properties of these compounds towards metal cations (Fe2+, Cu2+, Zn2+, Co2+, Ni2+) were investigated by absorption and infrared spectroscopy. The UV-Vis titrations were performed to estimate the stability constant values of the respective complexes with Cu2+ ion. Changes in UV-Vis absorption...
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublicationThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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Molecular geometry and optical activity of helically chiral N-nitrosamines derived from 1,2,3,4-tetrahydro- and 1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PublicationX-ray crystallographic analysis of the title N-nitrosamines revealed that they assume helical conformations in the solid state. Nitrosamines 1b and 2b were resolved by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes 1b·3b and 2b·3b was assigned as M. The optical activity of the resolved compounds is manifested by their solid state CD spectra, which...
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New 3D printable filaments with nanodiamonds, physicochemical additives characteristics and electrochemical activity
Open Research DataThis dataset contains the physicochemical analyses (XRD, Raman spectroscopy, BET analyses) and electrochemical analyses (CV, EIS) for a new 3D-printable composite has been developed dedicated to electroanalytical applications. Two types of diamondised nanocarbons - detonation nanodiamonds (DNDs) and boron-doped carbon nanowalls (BCNWs) - were added...
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Selection of the lambda parameter for DRT analysis of SrTi0.30Fe0.70O3-d oxygen electrode at 800 °C and 1% oxygen partial pressure
Open Research DataThis dataset contains results of selection of the lambda parameter for 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. Used lambdas: 5 x 10^(-3), 1 x 10^(-3), 5 x 10^(-4) and 1 x 10^(-4)....
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Cross sections for ionization and ionic fragmentation of pyrimidine molecules by electron collisions
PublicationThe electron impact mass spectroscopy and the total ion collection measurements were used to investigate the ionization and ionic fragmentation of the pyrimidine, C4H4N2, molecules in the gasphase. The cation mass spectra were measured in the 10−85 amu range and the observed mass peaks assigned to corresponding ionic fragments. The most abundant cation in the mass spectra is the parent cation, C4H4N+2, at 80 amu. The appearance...
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THERMION-C2S_10 Ionic thermoelectri effect in the phase transition in Cu2Se
Open Research DataThe dataset contains results of measurements of the ionic thermoelectric effect in copper selenide with Cu1.99Se and Cu1.8Se compositions. X-Ray diffraction data, SEM images and EDX spectra of the samples are also in the dataset.
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EPR of TiO2 hydrogenated at 500 and 600oC
Open Research DataData contain EPR spectra of TiO2 (anatase phase) heat treated in H2 at 500 and 600oC. Sample heated at 500oC contained 4 wt% of rutile and that at 600oC 8 wt% of rutile.