Wyniki wyszukiwania dla: spectra
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The luminescence study of (C10H16N)2MnBr4 Organic–Inorganic Hybrid
Dane BadawczeOrganic–inorganic hybrid metal halides have recently attracted attention in the global research field for their bright light emission, tunable photoluminescence wavelength, and convenient synthesis method. This study reports the detailed properties of (C10H16N)2MnBr4, which emits bright green light with a high photoluminescence quantum yield. Results...
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Molecular level interpretation of excess infrared spectroscopy
PublikacjaInfrared (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
PublikacjaThe 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
PublikacjaWe 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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Raman studies of 3D printed CB-PLA samples after microwave treatment
Dane BadawczeThis dataset contains Raman spectroscopy analyses of microwave-activated carbon-black doped polylactic acid 3D printed electrodes.
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Surface Plasmon-Coupled Emission of Rhodamine 110 Aggregates in a Silica Nanolayer
PublikacjaFirst analysis of strong directional surface plasmon-coupled emission(SPCE) of ground-state formed intermolecular aggregates of Rhodamine 110 (R110) insilica nanofilms deposited on silver nanolayers is reported. Until now, the processes ofenergy transport and its trapping due to aggregate formation have not been studied in the presence of SPCE. A new approach to multicomponent systems with weakly and strongly fluorescent centers...
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Dane BadawczeAnalytical 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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Luminescence properties of TeOx-Dy gels
Dane BadawczeThe 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
Dane BadawczeThe 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
Dane BadawczeThe 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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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity 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
PublikacjaImpedance 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
Dane BadawczeThis 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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Influence of vacuum sublimation deposited metal layer thickness on metrological parameters of the amperometric gas sensor with Nafion membrane
PublikacjaThe 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 fragmentation of furan molecules by electron collisions
PublikacjaCation 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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Ionization and ionic fragmentation of tetrahydrofuran molecules by electron collisions
PublikacjaElectron 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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Comment on "Quantitative comparison of analysis methods for spectroscopic optical coherence tomography"
PublikacjaIn 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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Tunable emission and energy transfer of B2O3–Bi2O3–AlF3 glass system doped with Eu3+/Dy3+
PublikacjaThe structure and luminescent properties of the B2O3–Bi2O–AlF3 glass system doped with Eu3+/Dy3+ ions in different molar ratios were studied. A series of glasses were synthesized by the conventional melt quenching technique. Glass transition and crystallization temperatures were examined by Differential Thermal Analysis (DTA) measurements. The amorphous character of the prepared samples was confirmed by the X-ray diffraction (XRD)...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublikacjaDimethyl 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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Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublikacjaSyntheses 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
PublikacjaThe 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
PublikacjaX-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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Luminescence and FTIR measurements of B2O3-Bi2O3-SrF2 glass and glass-ceramics doped with Eu3+ ions
Dane BadawczeLuminescence 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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Selection of the lambda parameter for DRT analysis of SrTi0.30Fe0.70O3-d oxygen electrode at 800 °C and 1% oxygen partial pressure
Dane BadawczeThis 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
PublikacjaThe 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
Dane BadawczeThe 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
Dane BadawczeData 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.
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Enhancement of self-trapped excitons and near-infrared emission in Bi3+/Er3+ co-doped Cs2Ag0.4Na0.6InCl6 double perovskite
Dane BadawczeErbium (Er) complexes are used as optical gain materials for signal generation in the telecom C-band at 1540 nm, but they need a sensitizer to enhance absorption. Na+ substitution for Ag+ and Bi3+ doping at the In3+ site is a possible strategy to enhance the broadband emission of Cs2AgInCl6, which could be used as a sensitizer for energy transfer to...
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Sensing of anesthetic drugs in blood with Raman spectroscopy
PublikacjaA proof-of-concept study of a Raman spectroscopy-based approach for measuring the content of anesthesia drugs in blood is presented. Spectra of spiked blood from several patients exhibit prominent changes in regions associated with the drug.
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Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublikacjaThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
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XPS-TiO2 heated in H2
Dane BadawczeThese XPS spectra were recorded for TiO2 heat-treated at 450-600oC in H2. Surface oxygen groups were determined. Deconvolution of Ti 2p peak allowed to determine Ti3+ on the titania surface.
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Detection of propofol concentrations in blood by Raman spectroscopy
PublikacjaIn this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically–sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublikacjaThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Luminescence properties of TeOx thin films annealing under an oxidizing atmosphere
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx thin films. 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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SWM for porous hierarchical nanocarbons composites
Dane BadawczeRaw Raman spectra and XRD diffractograms (background subtracted) of 13 among which carbon-derived secondary waste and reference materials.
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Ambiphilic phosphorous compounds
Dane BadawczeResults of theoretical and experimental studies on ambiphilic phosphorous compounds:
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The control software of the portable raman spectrometer
PublikacjaThe paper contains a description of the control software of a portable Raman spectrometer which was built in the Department of Optoelectronics and Electronic Systems Faculty of Electronics, Telecommunications and Informatics Gdansk University of Technology. The software has modular structure, which includes the laser control module and the spectrum acquisition module (laser power selection, working mode and data acquisition time)...
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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublikacjaElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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Dielectric Spectroscopy Studies and Modelling of Piezoelectric Properties of Multiferroic Ceramics
PublikacjaCompounds and solid solutions of bismuth ferrite (BiFeO3)—barium titanate (BaTiO3) system are of great scientific and engineering interest as multiferroic and potential high-temperature lead-free piezoelectric materials. In the present paper, the results of research on the synthesis and characterisation of 0.67Bi1.02FeO3–0.33BaTiO3 (67BFBT) ceramics in terms of crystal structure and dielectric and piezoelectric properties are reported....
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublikacjaTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Luminescence properties of TeOx-Eu thin films
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx-Eu thin films. 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...
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Luminescence properties of TeOx-Tb thin films
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx-Tb thin films. 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...
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Luminescence properties of TeOx-Dy thin films
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx-Dy thin films. 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....
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FTIR-TiO2 heated at 400-600oC in Ar or H2
Dane BadawczeData contain FTIR diffuse eflectance spectra of TiO2, which was heat-treated at 400-600oC in Ar or H2. Hydrogen reduced TiO2 revealed new bands due to the adsorption of some species on the titania oxygen vacancy sites.
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Studies on the influence of β-cyclodextrin derivatives on the physical stability of famotidine
PublikacjaThe usage of Fourier transform infrared spectroscopy, near infrared spectroscopy, differential scanning calorimetry and microscopy is presented in this work focused on the exploration of the effect of CD on the physical stability of famotidine (FAM). The most significant information was achieved by analysis of the second derivatives ofnear infrared (NIR) spectra recorded. Changes in the shape of spectra derivatives allow...
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Multispectral impedance quality testing of coil-coating system using principal component analysis
PublikacjaThe task of quality checking of the coil-coated system was undertaken using impedance spectroscopy. In order to properly characterize the system the new impedance spectrum was calculated as an averaged result of 12 experimental spectra obtained from 12 different places of the sample at the same time of immersion in 3% of NaCl. The experimental spectra were recorded for a 24-h period at 1 h intervals between starting points of each...
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Novel inorganic xerogels doped with CaWO 4 :xDy: Synthesis, characterization and luminescence properties
PublikacjaA series of novel phosphors based on silica xerogel doped with CaWO4:xDy(III) with various concentration of dysprosium ion was synthesized over a temperature of 800 C. The thermal analysis, XRD measurement and spectroscopic investigations of these materials are presented in this study. Steady state luminescence, luminescence excitation spectra as well as emission spectra have been measured. Under the ultraviolet light, the prepared...
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Luminescence properties of Eu3+ and Tb3+ doped silica-based xerogels
PublikacjaPure SiO2 xerogels and SiO2 xerogels containing SrF2: Eu3+/: Tb3+ crystals were prepared using sol-gel method. Luminescent spectra showed excitation and emission peaks characteristic to Eu3+ and Tb3+ 4f - 4f transitions. ET Tb3+→Eu3+ has been observed. XRD pattern of SiO2 matrix confirmed lack of long range order. Patterns of SiO2-SrF2:Eu3+ and SiO2-SrF2:Tb3+ showed peaks corresponding to SrF2. SEM images have shown agglomerates...