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Wyniki wyszukiwania dla: POLYESTERS, SOLID STATE NMR, DFT CALCULATIONS
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X-Ray photoemission spectroscopy measurements of the Nb-V-Sr-O ceramics
Dane BadawczeNiobium 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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STRUCTURE AND MAGNETIC PROPERTIES OF Bi5Ti3FeO15 CERAMICS PREPARED BY SINTERING, MECHANICAL ACTIVATION AND EDAMM PROCESS. A COMPARATIVE STUDY
PublikacjaThree different methods were used to obtain Bi5Ti3FeO15 ceramics, i.e. solid-state sintering, mechanical activation (MA) with subsequent thermal treatment, and electrical discharge assisted mechanical milling (EDAMM). The structure and magnetic properties of produced Bi5Ti3FeO15 samples were characterized using X-ray diffraction and Mössbauer spectroscopy. The purest Bi5Ti3FeO15 ceramics was obtained by standard solid-state sintering...
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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublikacjaWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
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Silicon Oxycarbide-Graphite Electrodes for High-Power Energy Storage Devices
PublikacjaHerein we present a study on polymer-derived silicon oxycarbide (SiOC)/graphite composites for a potential application as an electrode in high power energy storage devices, such as Lithium-Ion Capacitor (LIC). The composites were processed using high power ultrasound-assisted sol-gel synthesis followed by pyrolysis. The intensive sonication enhances gelation and drying process, improving the homogenous distribution of the graphitic...
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Ab-initio study of electrical and optical properties of allylamine
PublikacjaThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between...
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Ab-initio study of electrical and optical properties of allylamine
PublikacjaThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between molecule...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublikacjaThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Fast Real-Time RDFT- and GDFT-Based Direct Fault Diagnosis of Induction Motor Drive
PublikacjaThis paper presents the theoretical analysis and experimental verification of a direct fault harmonic identification approach in a converter-fed electric drive for automated diagnosis purposes. On the basis of the analytical model of the proposed real-time direct fault diagnosis, the fault-related harmonic component is calculated using recursive DFT (RDFT) and Goertzel DFT (GDFT), applied instead of the full spectrum calculations...
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Isostructural zinc and cadmium silanethiolates with bridging biimidazole co-ligands – Enhanced luminescence of zinc complex
PublikacjaTwo dinuclear complexes of zinc and cadmium with silanethiolate and bridging biimidazole ligands are characterized by X-ray diffraction, FT-IR, UV–Vis and emission spectroscopies. The complexes 1 (Zn) and 2 (Cd) are isostructural but exhibit different electronic structures and different character of frontier HOMO orbitals as indicated by DFT calculations. Lluminescence studies prove strong emission properties of zinc complex.
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Pt-rich intermetallic APt8P2 (A = Ca and La)
PublikacjaThe combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize...
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Topological behavior mimicking ethylene–hexene copolymers using branched lactones and macrolactones
PublikacjaPolyolefins are of paramount importance in the world of polymers due to their technological and economic potential.1 However, their nonpolar character significantly restricts the compatibility and adhesion properties, which consequently limits their versatility. Moreover, an intensified demand for materials from renewable resources can also become a problematic venture for the current polyolefin industry.2 Although Braskem and...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublikacjaThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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A new type of (TiZrNbTaHf)N/MoN nanocomposite coating: Microstructure and properties depending on energy of incident ions
PublikacjaA novel (TiZrNbTaHf)N/MoN nanocomposite coatings, which consist of the nitride of the high-entropy alloy and the binary nitride, were synthesized by vacuum-arc deposition at various substrate biases. The elemental composition, chemical bonding state, phase structure, microstructure and mechanical properties of the coatings were studied by high-resolution experimental methods: SIMS, GDMS, XPS, XRD, HR-TEM and nano-indentation. It...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Cadmium complex possessing simultaneously silanethiolato- and dithiocarbamato-ligands. A novel single-source precursor of cadmium sulfide
PublikacjaThermal decomposition of suitable coordination compounds may be used as efficient route for fabrication of semiconducting layers. A new potential CdS precursor—a cadmium complex with all-sulfur Cd-coordination sphere [Cd{l-SSi(OBut)3}(S2CNC4H8)]2 (1) —has been prepared and its properties are investigated. The complex was obtained in the reaction between dimeric bis(tri-tert-butoxysilanethiolato) cadmium(II) [Cd{SSi(OBut)3}2]2 and...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublikacjaWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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New insights on lithium storage in silicon oxycarbide/carbon composites: Impact of microstructure on electrochemical properties
PublikacjaIn this work, we study the impact of the preceramic precursor vinyltriethoxysilane (VTES) on the electrochemical performance of silicon oxycarbide (SiOC) glass/graphite composites. We apply an innovative approach based on high-power ultrasounds in order to obtain highly homogenous composites with a uniform distribution of small graphitic flakes. This procedure enhances gelation and drying of VTES-based preceramic polymer/graphite...
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iMAGS Zminiaturyzowany system IoT do wykrywania gazu amoniakowego
ProjektyProjekt realizowany w Katedra Inżynierii Mikrofalowej i Antenowej zgodnie z porozumieniem WPN/4/66/i-MAGS/2022 z dnia 2022-12-08
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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The 41Σ+ electronic state of LiCs molecule
PublikacjaThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands
PublikacjaThe reactivity of an anionic phosphanylphosphinidene complex of tungsten(VI), [(2,6-i-Pr2C6H3N)2(Cl)- W(η2-t-Bu2P=P)]Li·3DME toward PMe3, halogenophosphines, and iodine was investigated. Reaction of the starting complex with Me3P led to formation of a new neutral phosphanylphosphinidene complex, [( 2,6-i-Pr2C6H3N)2(Me3P)W(η2-t-Bu2P=P)]. Reactions with halogenophosphines yielded new catena-phosphorus complexes. From reaction with...
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Superconductivity in LiGa2Ir Heusler type compound with VEC = 16
PublikacjaPolycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refnement of powder x-ray difraction data confrms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a= 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with...
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Crystal structure and electronic structure of CePt2In7
PublikacjaWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublikacjaInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Ceramics Based on BiFeO<sub>3</sub>
PublikacjaIn this work the results of investigations for (BiFeO3)x(BaTiO3)1-x and Bi1-xNdxFeO3 solid solutions are described. Samples were prepared by the conventional solid-state sintering method. X-ray diffraction, 57Fe Mössbauer spectroscopy, and magnetoelectric effect measurements were applied as complementary methods to determine the structure and magnetic properties of materials. For (BiFeO3)x(BaTiO3)1-x solid solutions Mössbauer...
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublikacjaWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublikacjaDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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The luminescence study of Ca14Zn6Ga10−xMnxO35 coumpounds.
Dane BadawczeManganese in the pentavalent state (Mn 5+) is both rare and central in materials exhibiting narrow-band near-infrared (NIR) emission and is highly sought after for phosphor-converted light-emitting diodes as promising candidates for future miniature solid-state NIR light source. We develop the Ca 14 Zn 6 Ga 10−x Mn x O 35 (x = 0.3, 0.5, 1.0, 1.25, 1.5,...
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublikacjaThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublikacjaThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublikacjaTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublikacjaTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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Fabrication and Structural Properties of LaNb 1‐x As x O 4 Ceramics
PublikacjaLanthanum niobate substituted with arsenic was synthesized by three methods: solid state reaction from binary oxides and two different methods combining co-precipitation and solidstate reaction. In the first of the combined methods LaNb1- xAsxO4 was synthesized from LaAsO4, obtained from coprecipitation method, and lanthanum and niobium oxides. In the second LaNbO4 was first synthesized from binary oxides and then mixed with LaAsO4...
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Novel, Fully Biobased Semicrystalline Polyamides
PublikacjaNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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Fabrication and structural properties of Y and Fe co-doped SrTiO3 nanoceramics for SOFC
PublikacjaYttria and iron co-doped strontium titanate perovskites, (Y0,07Sr0,93Ti1-xFexO3-δx=0,1; 0,2) samples were fabricated by two methods: solid-state synthesis (SS) and the Pechinisol-gel modified method. The morphology of samples were measured by SEM and X-raydiffraction. Results were compared and discussed. The strong relationship between fabricationprocedure and microstructure has been proven. It was also observed, that the nanoceramicsobtained...
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Copper and cobalt co-doped ceria as an anode catalyst for DIR-SOFCs fueled by biogas
PublikacjaThe nanocrystalline compounds of Co and Cu co-doped ceria (with up to 20 mol.% of dopants) were fabricated by the reverse microemulsion synthesis method. They were deposited in a form of layers on the surface of SOFC anode in an aim to act as electrochemically active materials for biogas reforming process. Fourier Transformed Infrared Spectroscopy was used to analyze a composition of outlet gases simultaneously with the tests of...
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Modelling of Ship’s Heeling and Rolling for the Purpose of Gantry Control Improvement in the Course of Cargo Handling Operations in Sea Ports
PublikacjaThe paper presents two proposals of models of interaction between a ship and cargo being loaded or discharged by a gantry in port, in terms of heeling and rolling of the vessel. The main purpose of such modelling is the need for improvement of gantry control with regard to faster operations thanks to more accurate estimation of level and moment of cargo release from a gantry hook or spreader. The study may be the contribution to...
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Synthesis and structural properties of (Y, Sr)(Ti, Fe, Nb)O3−δ perovskite nanoparticles fabricated by modified polymer precursor method
PublikacjaThe yttrium, iron and niobium doped-SrTiO3 powders have been successfully fabricated by a modified low–temperature synthesis method from a polymer complex. The usage of strontium hydroxide precursor instead of conventional strontium nitrate or strontium carbonate provides to the possibility of significant decrease of annealing temperature. It allows to prepare a material with sphere-shape grains of nanometric size (15–70 nm). The...
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Identification of Kinematic Excitation Function by the Modal Coordinates Estimation of the System's Dynamics
PublikacjaThe paper presents a method of the kinematic excitation courses’ identification in excitation points, based on the car road test acceleration at different measurement points. For the purpose of the laboratory fatigue life investigation of contemporary complex structures (e.g. cars bodies) and components of these structures (i.e. cars roofs), only a few first vibration modes are usually taken into account. During real life tests...
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Electronic conductivity in the SiO2–PbO–Fe2O3 glass containing magnetic nanostructures
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Electrical properties and structure of lead-borate glass containing iron ions
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Multi Parameter Sliding Test Result Evaluation for the Selection of Material Pair for Wear Resistant Components of a Hydraulic Motor Dedicated for Use with Environmentally Friendly Working Fluids
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Degradation of Gel-Coat Layer in Glass/Polyester Laminate in Seawater Environment
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Limb/Ground Impacts and Unexpected Impacts Control Strategy for a Model of a Limb of a Walking Robot
PublikacjaPraca prezentuje wyniki analizy numerycznej dynamiki robota kroczącego. Uwaga skoncentrowana jest na zagadnieniu kontaktu odnóża z podłożem. W kierunku normalnym kontakt opisano więzami jednostronnymi. W kierunku stycznym, założono obecność poślizgu i tarcia. Z uwagi na jednostronność kontaktu, może się on rozpocząć z niezerową prędkością względną. Z chwila rozpoczęcia kontaktu, prędkości zmieniają się gwałtownie. Towarzysza temu...
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Rigid Finite Element Modeling for Identification of Vibrations in Elastic in Elastic Rod Driven by a DC-motor Suplied from a Thyristor Rectifier
PublikacjaRozdział dotyczy analizy numerycznej układu elektromechanicznego. Układ składa się z silnika zasilanego z jednopołówkowego prostownika tysystorowego i napędzanego tym silnikiem wirującego pręta. Celem obliczeń jest określenie postaci i wielkości drgań pręta, jeśli uwzględniamy jego elastyczność. Dyskretna struktura modelu to łańcuch wielomasowy ciał - sztywnych ciał połączonych bezmasowymi węzłami. Autorzy obliczyli zachowanie...
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On stability of iodine doped TiO2 electrodes in pH varied aqueous electrolytes
PublikacjaW pracy przedstaiono charakterystykę elektrochemiczną warstwy domieszkowanego jodem TiO2 na podłożu platynowym. Wyniki badań prowadzone w elektrolitach o różnym pH pozowoliły na określenie właściwości na granicy faz elektroda - elektrolit. Wyznaczono zależność potencjału pasma płaskiego od pH elektrolitu, a charakter otrzymanej funkcji potwirdził stabilność proszku I-TiO2 w kontakcie s roztworem.
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High temperature oxidation of porous alloys for solid oxide fuel cell applications
PublikacjaW pracy proszki PI600, 317L i 430L stali użyto do przygotowania porowatych metalowych podłoży dla tlenkowych ogniw paliwowych. Po spiekaniu w różnych temperaturach oceniana była ich porowatość i wysokotemperaturową odporność na korozję. Cykliczna analiza termograwimetryczna, dyfraktometria rentgenowska i obrazów SEM były używane do opisu właściwości tych porowatych stopów. Właściwości elektryczne badano dla wybranych próbek. Wpływ...
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The automation of test stand for engine cooling system testing
PublikacjaW rozdziale przedstawiono budowę stanowiska do badań układu chłodzenia silnika samochodowego typu M111920. Układ był wyposażony w obwód podgrzewania paliwa gazowego i układ akumulacji ciepła. Stanowisko wyposażono w liczne termopary do pomiaru temperatur płynów i części metalowych silnika. Ważnym opracowanym zagadnieniem było rejestrowanie wielu pomiarów w czasie rzeczywistym, do czego użyto sieci transmisji danych CAN.
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Synthesis and electrochemical characterization of poly(3,4-ethylenedioxythiophene) modified by iron hexacyanocobaltate
PublikacjaPraca dotyczy sposobu syntezy oraz elektrochemicznej charakterystyki materiału kompozytowego złożonego z poli(3,4-etylenodioksytiofenu) i heksacyjanokobaltanu(III) żelaza(II). Wybrany materiał badany był przy użyciu spektroskopii impedancyjnej, chronopotencjometrii oraz woltamperometrii cyklicznej w kontakcie z elektrolitem wodnym (KCl) oraz aprotycznym (LiPF6 w mieszaninie węglanu etylenu i węglanu propylenu). Materiał charakteryzuje...
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Mechatronic system for automatic inspection of circular saw teeth
PublikacjaArtykuł prezentuje system mechatroniczny do automatycznej oceny geometrii ostrzy pił tarczowych. Opisywany system wizyjny został zastosowany w automatycznym kontrolerze ostrzy pił tarczowych WKOPTar. Wrzeciono urządzenia posiada swój napęd sterowany bezstopniowo obrazem ostrzy i zapewnia powtarzalne pozycjonowanie ostrzy w celu przechwycenia ich obrazów, które są następnie analizowane z wykorzystaniem specjalnego oprogramowania....
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Multicomponent layers for aluminium alloys surface consolidation
PublikacjaThe main reason of the surface modification of the components such as pistons and cylinder blocks made of cast aluminium alloys is to obtain high hardness, wear and corrosion resistance of the working surface for larger lifetime of the motor-car and aircraft engines. In that aspect, the new conception of development - by hybrid method - of surface layers containing manganese, nitrogen, sulphur (Mn-N-S) and manganese, nitrogen,...
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Determination of ability of hydrotronic systems to start in low ambient temperatures
PublikacjaPrzedstawiono wyniki badań symulacji komputerowej zespołów układów hydrotronicznych w warunkach szoku termicznego. Pokazano metodę określania zdatności hydrotronicznych zespołów i układów podczas rozruchu w warunkach szoku termicznego.
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High temperature corrosion of evaporator tubes with thermal sprayed coatings
PublikacjaDegradation examinations of outer surface of low-emission steam boiler evaporator tubes are presented in the paper. Metallographic evaluation of scale morphology, its micro sites chemical composition analysis and distribution of elements on cross sections have been performed. Water-wall tubes were exposed in steam boiler for up to two years period. Common tubes made of 16Mo3 steel suffered sulphide and molten salts corrosions....
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Monitoring of Velocity of Manufacturing Machines Subassamblieas by Means of a DAQ System
PublikacjaArtykuł dotyczy dokładnych cyfrowych pomiarów prędkości ruchu podzespołów maszyn, realizowanych za pomocą enkoderów kwadraturowych, kart licznikowych DAQ oraz dedykowanych aplikacji pomiarowych DAQ. Przedstawiono koncepcje trzech różnych sposobów takiego pomiaru. W pierwszym sposobie, nazywanym ''częstotliwościowym'', pomiar odbywa się poprzez bramkowane zliczanie impulsów enkodera. Drugi sposób nazywany ''czasowym'' polega na...
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Properties of surface layers of duplex stainless steel after burnishing processes
PublikacjaStress corrosion cracking resistance of cold worked layers of 25 Cr duplex stainless steel grade UR52N+ has been investigated. The surface layers were performed through burnishing treatment. The residual stresses at surface layers were determined using grazing angle incidence X-ray diffraction method (g-sin2 Ψ). Corrosion tests were performed with the use of Slow Strain Rate Test technique in boiling 35% MgCl2 solution. It has...
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Finishing of Ceramics in a Single-Disk Lapping Machine Configuration
PublikacjaPrzedstawiono metodę obróbki ceramiki technicznej na zmodifikowanej docierarce jednotarczowej z niezależnym napędem pierścienia prowadzącego. Omówiono przebieg obróbki z wykorzystaniem nowych narzędzi i zastosowaniem ziarna wiązanego.
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Cavitation wearing of the SUPERSTON alloy after laser treatment at cryogenic conditions
PublikacjaThe purpose of this paper is to demonstrate the method of laser remelting at cryogenic conditions of the SUPERSTON alloy and its influence on microstructure and cavitation wearing. The cavitation test was performed using the rotating disc facility in IPM PAN Gdansk. During the cavitation test, the mass loss of the material with different parameters of laser remelting was determined. Surface and cross-section microstructure of the...
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Research of hydrotronic variable displacement radial piston pump with electro -pneumatic control
PublikacjaThe paper presents the developed new electro-pneumatic control (pneumotronic) system for hydraulic fixed-displacement radial piston pump. Hydraulic fixed-displacement radial piston pump equipped with the proposed control system changes into hydrotronic variable-displacement radial piston pump. Pump flow rate control is realized by means of programmable logic controller, electro-pneumatic valves, pneumatic cylinders and a sensor.
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Investigations on the influence CuO doping on elastic properties of Li2SO4–MgO–P2O5 glass system by means of acoustic wave propagation
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Chemical instability of the cobalt oxyhydrate superconductor under ambient conditions
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Superconductivity in three-layer Na0.3CoO2·1.3H2O
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Generation of Optimal Process Plan Alternatives for Manufacturing Mechanical Components
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Application of Syntactic Pattern Recognition Approach in Design and Optimisation of Group Machining Systems
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The effect of Fe and Ru substitution on the superconductivity in MgCNi3
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Composite (La, Sr)MnO3-YSZ cathode for SOFC
PublikacjaW pracy przedstawiono właściwości elektryczne kompozytów (La,Sr)MnO3-YSZ. Materiały te dzieki swoim włąściwościom mogą staniwć dobry materiał na katody ogniw paliwowych. Przedstawiono też wyniki badań ogniwa paliwowego pracującego z paliwem wodorowym zbudowanego na bazie katody z kompozytu LSM-YSZ i anody Ni-YSZ. Uzyskano gęstośc mocy 0.26 W cm−2 przy temperaturze 850°C.
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Electrical properties of nanocrystalline Sm-doped ceria ceramics
PublikacjaWłaściwości ceramiki z cerii zależa zwykle silnie od struktury ziaren. W pracy przedstawiono właściwości elektryczne ceramiki z cerii domieszkowanej samarem wykonanje w technologii 'net shape' posiadającej strukturę nanokrystaliczną.
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Magnetic properties of charge ordered complex TCNQ salts with lattice distortions
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Low-temperature reactivity of the surface species of vanadia–tungsta catalyst
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Magnetic properties of Co/Pd multilayered films on porous Al2O3 templates with developed cell substructure
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Energy-Saving Mechatronic System for Fatigue Tests of Materials under Variable-Amplitude Proportional Bending and Torsion
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A Noded Carbon Emission Tool (NCET) to Measure Embodied Carbon (EC) in Compositional Cementitious Materials
PublikacjaThe ever evolving modern construction industry is now producing the highest levels of carbon content adversely affecting the construction associated environment. Although, the impact of carbon induced emission is quite large, but still not enough measurable standards and tools to scale these emission are available. This study contributes to the body of knowledge by providing a Grasshopper based definition to calculate the embodied...
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The effect of the ceramic dispersion on the nickel matrix composite coating properties after plastic working
PublikacjaW pracy określono wpływ fazy dyspersyjnej Al2O3 na wybrane potencjalne właściwości powłok kompozytowych o osnowie niklowej. Powłoki Ni-Al-Al2O3 zostały nałożone na próbki stalowe przy użyciu technologii poddźwiękowego płomieniowego natryskiwania cieplnego. Następnie poddane zostały obróbce plastycznej na zimno i na gorąco poprzez walcowanie, a także prasowania na zimno na prasie hydraulicznej. Obróbka plastyczna jest metodą alternatywną...
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Multibody and electromechanical modelling in dynamic balancing of mechanisms for mechanical and electromechanical systems
PublikacjaPraca prezentuje zagadnienia wspólnego modelowania układu wieloczłonowego i napędu elektrycznego oraz problemy wyrównoważania mechanizmów. Analizowanym układem mechanicznym jest płaski czworobok przegubowy. Analizowany mechanizm zamodelowano jako układ wieloczłonowy z zamkniętymi wielobokami ciał. Do wymuszenia ruchu układu wykorzystano model silnika prądu stałego. Zbadano oddziaływania pomiędzy płytą mocującą czworoboku i otoczeniem....
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Identification of the Inertia of Masses Flowing Water through the Pipes in Water Power Plants
PublikacjaW artykule przedstawiono sposób identyfikacji stałej czasowej reprezentującej bezwładność mas przepływającej wody w systemie rurociągów, w elektrowni wodnej. Przedstawiono strukturę modelu układu regulacji prędkości kątowej wykorzystywanego w procesie identyfikacji oraz przeprowadzono badania skuteczności działania metody w środowisku Matlab-Simulink. Opisano najistotniejsze wnioski wynikające z przeprowadzonych badań symulacyjnych.
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Selected problems of navigation of educational mobile robot
PublikacjaW artykule przedstawiono ideę sterowania układem autonomicznego robota mobilnego skonstruowanego do celów edukacyjnych. Opisano strukturę mechaniczną układu, układy sensorów oraz zakres możliwości wynikających z działania oprogramowania robota.
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The Behaviour Based Area Coverage of Unknown Environment by Autonomous Mobile Robot Using Modified ''The Way of the Ox'' Algorithm
PublikacjaPrzedstawiono propozycję rozwiązania zagadnienie całkowitego pokrycia terenu w układzie autonomicznego robota mobilnego. W tym celu zmodyfikowano algorytm "siewcy" oraz opracowano odpowiedni model układu, w środowisku Matlab-Simulink. Wykonano serię badań symulacyjnych, których najistotniejsze wyniki opisano w artykule.
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Localization of Mobile Robot Using Radio Waves
PublikacjaOpisano systemy lokalizacji robotów mobilnych wykorzystujące metody triangulacji i trilateracji, w przestrzeniach dwuwymiarowych. Zaproponowano metodę pomiaru odległości drogą radiową oraz przedstawiono uzyskane wyniki badań.
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Comparison the Accuracy of the Extrapolation Methods of the Time Phase Coincidence in Synchronization of Power Generating Units
PublikacjaW artykule opisano metody ekstrapolacji chwili zgodności fazowej napięć łączonych obiektów elektroenergetycznych. Przeprowadzono analizę porównawczą wybranych metod ekstrapolacji w równych warunkach pracy oraz przedstawiono najistotniejsze wyniki badań.
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Nonlinear electrical properties of glass-ceramics nanocomposites containing ferroelectric nanocrystallites of Bi2VO5.5
PublikacjaNonlinear A.C. impedance measurements were conducted in the 50BiV-50SrBAlO nanocomposite as a function of frequency, temperature and A.C. voltage. This material is ferroelectric below temperature of 730 K, and above 730 K is a good ion-conductor. For this nanocomposite a low A.C. voltage of 1 V rms is enough to observe high nonlinearities. The origin of these nonlinear effects depends on the temperature and frequency. In the high...
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Synthesis and properties of porous Sr 0.96 Y 0.04 Ti 1−x Nb x O 3
PublikacjaA series of porous, single phase Sr0.96Y0.04Ti1-xNbxO3 samples was obtained using a wet synthesis method (modified citrate sol-gel) method. Temperature-programmed reduction (TPR) and temperature-programmed oxidation (TPO) measurements have shown high stability of the obtained material in variable (oxidizing/reducing) atmospheres. All samples exhibit high conductivity in hydrogen atmosphere with the highest value (around 1S/cm)...
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The domination of ionic conductivity in tetragonal phase of the organometal halide perovskite CH3NH3PbI3-xClx
PublikacjaOrganometal trihalide perovskites have recently gained extreme attention due to their high solar energy conversion in photovoltaic cells. Here, we investigate the contribution of iodide ions to a total conductivity of the mixed lead halide perovskite CH3NH3PbI3−xClx with a use of the modified DC Hebb–Wagner polarization method. It has been identified that an ionic conductivity dominates in tetragonal phase which is associated with room...
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Electrical properties of Na2O-CaO-P2O5 glasses doped with SiO2 and Si3N4
PublikacjaSodium-calcium-phosphate glasses doped with SiO2 or Si3N4 having similar sodium ion concentrations were prepared by melt quenching. The conductivity was measured by impedance spectroscopy under nitrogen atmosphere in a wide frequency range (10 mHz–1 MHz) and wide temperature range (153–473 K). At 36.6 °C, DC conductivities of all glasses vary between 1.1 ∗ 10−12 and 8.9 ∗ 10−12 S cm−1 and have similar activation energies (between...
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Electrochemical performance of Co3O4/CeO2 electrodes in H2S/H2O atmospheres in a proton-conducting ceramic symmetrical cell with BaZr0.7Ce0.2Y0.1O3 solid electrolyte
PublikacjaThe electrochemical performance of Co3O4/CeO2 mixed oxide materials as electrodes, when exposed to H2S/H2O atmospheres, was examined employing a proton conducting symmetrical cell, with BaZr0.7Ce0.2Y0.1O3 (BZCY72) as the solid electrolyte. The impact of temperature (700–850 °C) and H2S concentration (0–1 v/v%) in steam-rich atmospheres (90 v/v% H2O) on the overall cell performance was thoroughly assessed by means of electrochemical...
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Structure and electrical properties of Y, Fe-based perovskite mixed conducting composites fabricated by a modified polymer precursor method
PublikacjaIn this work, samples of Y0.07Sr0.93Ti1-xFexO3-d with 20, 40, 60 and 80 mol% of iron amount were prepared by a low-temperature polymer precursor method. The SEM-EDS analysis proved that analyzed Y0.07Sr0.93Ti1-xFexO3-d samples were composites of two Ti- and Fe-rich perovskite samples. This kind of composite consists of two phases in which one has a good ionic and the other electronic conductivity, which makes such a composite a...