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Search results for: NEUTRON DIFFRACTION
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Symulator szybkich procesów dynamiki reaktora jądrowego wodno ciśnieniowego
PublicationArtykuł przedstawia symulator dynamiki reaktora jądrowego (RJ) zbudowany w oparciu o punktowe modele matematyczne procesów reaktora typu wodnego ciśnieniowego (ang. Pressurized Water Reactor – PWR) i zaimplementowany w środowisku MATLAB/Simulink. Symulator wykorzystywany jest obecnie jako narzędzie pomocne w dydaktyce i wstępnych badaniach w zakresie energetyki jądrowej na Politechnice Gdańskiej. W pierwszej części artykuł Autorzy...
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Negative thermal expansion and antiferromagnetism in the actinide oxypnictide NpFeAsO
PublicationPrzeprowadzona został udana synteza NpFeAsO, związku będącego analogiem do LaFeAsO. Stwierdzono występowanie antyferromagnetycznego uporządkowania z T_N = 57 K. Poniżej T_N zauważono tzw. ujemną rozszerzalność termiczną. Przeprowadzono badania dyfrakcyjne przy użyciu promieniowania synchrotronowego (ESRF - Grenoble) a także neutronów (ILL - Grenoble).
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MODELLING OF THE VISCOSITY EFFECT OF HEAVE PLATES FOR FLOATING WIND TURBINES BY HYDRODYNAMIC COEFFICIENTS
PublicationOne of the methods of modelling the movement of floating wind turbines is the use of the diffraction method. However, this method does not take into account the influence of viscosity; therefore, in many cases, it needs to be extended with a matrix of appropriate coefficients. The effect of viscosity causes both the added mass coefficient and the damping coefficient to increase. The determined coefficients were entered into the...
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Reactivity of triphosphinoboranes towards H3B·SMe2: access to derivatives of boraphosphacycloalkanes with diverse substituents
PublicationTriphosphinoboranes activated the B–H bond in the BH3 molecule without any catalysts at room temperature. Hydroboration reactions led to boraphosphacyloalkanes with diverse structures. The outcomes of reactions depend on the size of the phosphanyl substituent on the boron atom of the parent triphosphinoborane, where derivatives of boraphosphacyclobutane and boraphosphacyclohexane were obtained. Furthermore, the precursor of triphosphinoboranes,...
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Interactions between components of SrTi0.98 Nb0.02O3-δ-YSZ and SrTi0.98 Nb0.02O3-δ -CeO2 composites
PublicationComposites consisting of SrTiO3-based perovskite and either yttria-stabilized zirconia or ceria were investigated. The mechanical compatibility and possible inter-diffusion between phases were characterized by scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray spectroscopy. A gradual disappearance of Ce-containing phases with an increase in the temperature of reduction in hydrogen was noticed. Moreover,...
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Self Organizing Maps for Visualization of Categories
PublicationVisualization of Wikipedia categories using Self Organizing Mapsshows an overview of categories and their relations, helping to narrow down search domains. Selecting particular neurons this approach enables retrieval of conceptually similar categories. Evaluation of neural activations indicates that they form coherent patterns that may be useful for building user interfaces for navigation over category structures.
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Prognozirovanie svojstv betonov s pomoŝ'û iskusstvennyh nejronovyh setej
PublicationObserwacje mózgu ludzkiego oraz podstawowych komórek z jakich się składa (neuronów), doprowadziły do prób modelowania niedużych układów połączonych neuronów. Układy te, zwane w literaturze jako sieci neuronowe lub sieci neuropodobne (ang. neural network) wykazują pewne cechy zbliżone do cech mózgu. Są nimi np. zdolność uczenia i kojarzenia. Choć znany obecnie model matematyczny neuronu jest dość skomplikowany, to zachęcające wyniki...
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Syntheses and structures of the first terminal phosphanylphosphido complexes of molybdenum(IV)
PublicationThe reactions of R2P-P(SiMe3)Li (R = tBu, iPr2N) with [Cp2MoCl2] yield terminal phosphanylphosphido complexes formally via the insertion of the phosphinidene P-atom into the C - H bond of a cyclopentadienyl ring and the migration of the hydrogen atom or SiMe3 moiety to the molybdenum centre. Solid state structures of [Cp(C5H4P-PtBu2)MoH], [Cp(C5H4P-PtBu2)Mo(SiMe3)] and [Cp{C5H4P-P(NiPr2)2}Mo(SiMe3)] were established by single crystal...
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublicationThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublicationThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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Impedance Studies of Phosphate-iron Glasses Containing Niobium and Titanium
PublicationThe ac and dc conductivity in phosphate-iron-niobate glasses with addition of titanium oxide was investigated as a function of temperature and frequency with the use of impedance spectroscopy. The topography and microstructure of glasses were investigated by the means of X-ray diffraction (XRD), scanning electron microscopy (SEM), and confocal microscopy methods. The obtained results show that all samples are amorphous but they...
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Screening of predicted synergistic multi-target therapies in glioblastoma identifies new treatment strategies
PublicationAbstract Background IDH-wildtype glioblastoma (GBM) is a highly malignant primary brain tumor with a median survival of 15 months after standard of care, which highlights the need for improved therapy. Personalized combination therapy has shown to be successful in many other tumor types and could be beneficial for GBM patients. Methods We performed the largest drug combination screen to date in GBM, using a high-throughput effort...
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Glioblastoma-derived spheroid cultures as an experimental model for analysis of EGFR anomalies
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Longitudinal drug synergy assessment using convolutional neural network image-decoding of glioblastoma single-spheroid cultures
PublicationAbstract Background In recent years, drug combinations have become increasingly popular to improve therapeutic outcomes in various diseases, including difficult to cure cancers such as the brain cancer glioblastoma. Assessing the interaction between drugs over time is critical for predicting drug combination effectiveness and minimizing the risk of therapy resistance. However, as viability readouts of drug combination experiments...
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Fetal death of unspecified cause - Male, 0 - Tissue image [3140630024316011]
Open Research DataThis is the histopathological image of BRAIN tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Fetal death of unspecified cause - Male, 0 - Tissue image [3140630024311101]
Open Research DataThis is the histopathological image of BRAIN tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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High temperature monoclinic-to-tetragonal phase transition in magnesium doped lanthanum ortho-niobate
PublicationMagnesium doped lanthanum ortho-niobate (La0.98Mg0.02NbO4) was prepared by the molten salt synthesis method. X-ray diffraction and dilatometry methods were used to study high temperature behavior of the ceramic material. Special attention was paid to the phase transition between the monoclinic and tetragonal phases. The values of spontaneous strain on the basis of unit cell parameter, obtained by Rietveld refinement, have been...
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Sulfurization of phosphanylphosphinidene ligand: Access to phosphinothioyltrithiophosphonato platinum(II) complexes
PublicationThe reactivity of phosphanylphosphinidene Pt(0) complexes [DppePt(η2-P–PtBu2)] (1) and [(pTol3P)2Pt(η2-P–PtBu2)] (2) toward sulfur was studied. Reactions of 1 and 2 with an excess of sulfur led to the formation of the first transition metal complexes 3 and 4 with phosphinothioyltrithiophosphonato ligands with the formula [tBu2P(=S)–P(=S)S2]2-. In contrast to previous reports on the phosphanylphosphinidene moiety sulfurization,...
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Silver complexes stabilized by large silanethiolate ligands – crystal structures and luminescence properties
PublicationBulky silanethiolate and disiladithiolate ligands were applied to synthesize one mononuclear and three trinuclear silver complexes including two cyclic “microclusters” and a linear tri-nuclear silanethiolate complex. All obtained compounds are characterized by X-ray diffraction and FT-IR. NMR and emission spectroscopies were used where possible. The first trinuclear anionic silver thiolate is structurally characterized. The influence...
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Fabrication, structural and electrical properties of Sr(V,Nb)O 3-δ perovskite materials
PublicationThe SrV1-xNbxO3-δ materials with different niobium content in perovskite B-sublattice were prepared by a solid-state reaction process. The microstructure and phase compositions of obtained samples were analyzed by the X-ray diffraction technique (XRD) and scanning electron microscopy (SEM). The electrical conductivity of samples was measured by a DC 4-wire method in range of 100–600 °C in different gas conditions. The oxidation...
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Microstructure and Dielectric Properties of Barium-vanadate Glasses
PublicationThe ac and dc conductivity in barium-vanadate glasses was investigated as a function of temperature and frequency with the use of impedance spectroscopy. The topography and microstructure of glasses were investigated by the means of X-ray diffraction (XRD) and scanning electron microscopy (SEM) methods. The XRD results show that all samples are amorphous but microscopy investigation reveals that glasses with greater amount of V2O5...
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The organophosphorus sulfenyl bromides as versatile reagents for cysteine derivatives functionalization by unsymmetrical disulfide bond formation
PublicationWe have developed a convenient method for the synthesis of L-cysteine unsymmetrical disulfides under mild conditions with good to excellent yields. Described method is based on the straightforward preparation of the organophosphorus sulfenyl bromide readily available from bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl) disulfide. The unsymmetrical disulfides can be obtained for L-cysteine derivatives and thiols bearing neutral...
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Proton affinities of simple organic compounds
PublicationThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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Evolution of charge density wave order in continuous solid solutions Lu(Ni1-xCox)C2
PublicationPseudo-ternary solid solutions, Lu(Ni1-xCox)C2 (0 ≤ x ≤ 1), were studied by means of powder X-ray diffraction, differential thermal analysis as well as electrical resistivity and heat capacity measurements. The crystal structure of the Lu(Ni1-xCox)C2 series, as investigated by means of X-ray powder diffraction, is of structure type CeNiC2, space group Amm2, Pearson symbol oS8. The structural analysis reveals a non-monotonous evolution,...
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Simple colorimetric copper(II) sensor – spectral characterization and possible applications
PublicationNew o-hydroxyazocompound L bearing pyrrole residue was obtained in the simple synthetic protocol. The structure of L was confirmed and analyzed by X-ray diffraction. It was found that new chemosensor can be successfully used as copper(II) selective spectrophotometric regent in solution and can be also applied for the preparation of sensing materials generating selective color signal upon interaction with copper(II). Selective colorimetric...
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The electronic characterization of the cubic Laves-phase superconductor CaRh2
PublicationWe present the synthesis and experimental characterization of the electronic properties of the cubic Laves phase superconductor CaRh2. Its crystal structure was confirmed by powder X-ray diffraction and its ambient temperature lattice parameter (a = 7.5326(6) Å) is in good agreement with the literature. Magnetization, resistivity and heat-capacity measurements indicate that CaRh2 is a moderate-coupling type-II superconductor (λe-p = 0.89)...
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High-accuracy computation of hard X-ray focusing and imaging for refractive optics
PublicationA mathematical apparatus for solving problems of X-ray wave propagation through complex optical systems, when the lens thickness can change with jumps, is developed and presented. The developed method is based on the use of the superposition of oriented Gaussian beams, which satisfy the Helmholtz equation with high accuracy. The wave propagation in air and through kinoform and ordinary lenses is considered. Focusing and imaging...
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KTaO3-based nanocomposites for air treatment
PublicationA series of single semiconductors and their nanocomposites combination (such as KTaO3 + CdSe + SrTiO3; KTaO3 + CdS +WO3; KTaO3 + CdS + MoS2) were prepared using hydrothermal route. Photocatalytic activity of as-prepared nanocomposites was estimated by photocatalytic degradation of toluene in the gas phase using light-emitting diodes (LEDs, 375 nm) in four subsequent cycles. The nanocomposites were characterized by scanning electron...
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Effects of La Content on the Densification, Microstructure, and Conductivity of Doped La10−x Ge6 O26±δ Electrolytes
PublicationIn this study, the influence of La content on the characteristics of Nb-, Mo-, and W-doped LaxGe6O26±δ electrolytes was investigated through sintering study, X-ray diffraction, scanning electron microscopy, and conductivity measurement. The densification of LaxGe5.5Nb0.5O26±δ and LaxGe5.5W0.5O26±δ was retarded as the x reached 9.75, while that of LaxGe5.5Mo0.5O26±δ improved with increasing La content. The average grain size slightly...
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The Influence of Titania Electrode Modification with Lanthanide Ions Containing Thin Layer on the Performance of Dye-Sensitized Solar Cells
PublicationThe lanthanide and scandium groups ions (except Pm and Ac) have been used as dopants of TiO2 film in dye-sensitized solar cells. The X-ray diffraction spectra show that the modification has no influence on the structure of the electrode; however, the diffuse reflectance UV-Vis measurements exhibit significant changes in the electronic properties of modified electrodes. The appearance of energy barrier preventing photoexcited electron...
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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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PtCo cathode electrocatalyst behaviour viewed by in-situ XAFS fuel cell measurements
PublicationW pracy zostały przedstawione wstępne wyniki analizy XAS (X-ray absorption spectroscopy), TEM (transmission electron microscopy) i XRD (X-ray diffraction) nanostruktur PtCo 1:1 (20% fazy metalicznej osadzonej na węglu, Vulcan XC-72) używanych jako elektrokatalizatory w polimerowych ogniwach paliwowych (PEM FC). Pomiary realizowane były również w warunkach pracy ogniwa paliwowego za pomocą specjalnie zoptymalizowanej do pomiarów...
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Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu, iPr, iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)
PublicationReactions of R2P−P(SiMe3)Li (R = tBu, iPr, iPr2N, Et2N) with [Cp2WCl2] yield terminal phosphanylphosphido complexes [Cp(C5H4P-PR2)WH] or [Cp{C5H4P-PR2}-W(SiMe3)] by way of a hydrogen or SiMe3 migration to tungsten. The solid-state structures of [Cp(C5H4P−PtBu2)-WH] and [Cp(C5H4P-PNEt2)WH] were established by singlecrystalX-ray diffraction. Two stereoisomers of [Cp(C5H4P−PtBu2)WH] were identified by solution NMR spectroscopy. Reaction...
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General route for the synthesis of terminal phosphanylphosphido complexes of Zr(IV) and Hf(IV): Structural investigations of the first zirconium complex with a phosphanylphosphido ligand
PublicationReactions of R2P-P(SiMe3)Li with [Cp2MCl2] (M = Zr, Hf) in hydrocarbons yield the related terminal phosphanylphosphidocomplexes [Cp2M(Cl){(Me3Si)P-PR2-jP1}] (R = iPr and tBu). The solid state structures of [Cp2M(Cl){P(SiMe3)-PiPr2-jP1}] (M = Zr, Hf) were established by single crystal X-ray diffraction studies. The phosphido-P atoms adopt almost planar geometries and the phosphanyl P atoms adopt pyramidal geometries. The reaction...
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Emotion Recognition from Physiological Channels Using Graph Neural Network
PublicationIn recent years, a number of new research papers have emerged on the application of neural networks in affective computing. One of the newest trends observed is the utilization of graph neural networks (GNNs) to recognize emotions. The study presented in the paper follows this trend. Within the work, GraphSleepNet (a GNN for classifying the stages of sleep) was adjusted for emotion recognition and validated for this purpose. The...
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Laser-assisted approach for improved performance of Au-Ti based glucose sensing electrodes
PublicationThis paper focuses on the synthesis route and electrochemical properties of electrocatalytic material based on gold nanoparticles (NPs) embedded in a structured titanium template obtained via optimized anodization, chemical etching and laser processing. SEM inspection reveals the presence of Au NPs (60–90 nm in diameter) sited in the titanium foil cavities. Performed electrochemical measurements enable nomination of the set of working...
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Thermal buckling of functionally graded piezomagnetic micro- and nanobeams presenting the flexomagnetic effect
PublicationGalerkin weighted residual method (GWRM) is applied and implemented to address the axial stability and bifurcation point of a functionally graded piezomagnetic structure containing flexomagneticity in a thermal environment. The continuum specimen involves an exponential mass distributed in a heterogeneous media with a constant square cross section. The physical neutral plane is investigated to postulate functionally graded material...
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Methods of solving the Atkins equation determine shear angle with taking into consideration a modern fracture mechanics
PublicationIn the paper are presented methods of solving nonlinear Atkins equation . The Atkins equation describe shear angle with taking into account properties of material cutting. To solve Atkins equation has been used iterative methods: Newton method and simplified method of simple iteration. Method of simple iteration is presented in the form of Java application.
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Towards a neuro-inclusive theory of leadership.
ProjectsProject realized in Department of Management according to UMO-2022/47/D/HS4/01294 agreement from 2023-06-27
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Sentiment Analysis of Facebook Posts:the Uber case
PublicationThis article analyses the sentiment of opinions, i. e. its classification as phrases with a neutral, positive and negative emotional tone. Data used as a basis for the analysis were opinions expressed by Facebook users about Uber and collected in the period between July 2016 and July 2017. The primary objective of the study was to obtain information about the perceptions of Uber over thirteen consecutive months. The study confirms...
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Efficient exciplex emitting organic electroluminescent devices
PublicationW pracy badano stany wzbudzenia elektronowego, powstające z udziałem dwóch molekuł. Dzięki doborowi odpowiednich materiałów na warstwę przewodzącą dziury (pochodna trójfenyloaminy: m-MTDATA) i elektronów (pochodna oksadia-zolu:PBD) w cienkowarstwowej diodzie EL stworzono szczególnie dogodne warunki do generacji ekscypleksów (M-MTDATA-PBD) i wysokowydajnej (>1% foton/e-lektron) emisji ekscypleksowej.
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Badania eksperymentalne transformatora hybrydowego jako kondycjonera napięcia w sieciach typu TN
PublicationArtykuł dotyczy układu dystrybucyjnego transformatora hybrydowego (DTH) przeznaczonego do zastosowania w sieciach typu TN. Opisano w nim sposoby podłączenia przewodu neutralnego do układu DTH. W dalszej części artykuł zawiera opis skonstruowanego modelu laboratoryjnego o mocy 16 kVA wraz z zastosowanym algorytmem sterowania. Ponadto przedstawiono wyniki badań eksperymentalnych, ze szczególnym uwzględnieniem oceny dokładności stabilizacji...
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Evolution of Physical Properties of RE 3 Ni 5 Al 19 Family (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er)
PublicationSingle crystals of RE3Ni5Al19 series (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er) are grown using the Al self-flux method. The crystal structure is examined by both single crystal and powder X-ray diffraction. Physical properties are studied for the first time for RE3Ni5Al19 (RE = Y, Nd, Gd, Tb, Dy, Ho, and Er) by means of magnetic susceptibility, electrical resistivity, and heat capacity measurements. Complex magnetic behaviors, with...
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Terbium Substituted Lanthanum Orthoniobate: Electrical and Structural Properties
PublicationThe results of electrical conductivity studies, structural measurements and thermogravimetric analysis of La1−xTbxNbO4+δ (x = 0.00, 0.05, 0.1, 0.15, 0.2, 0.3) are presented and discussed. The phase transition temperatures, measured by high-temperature x-ray diffraction, were 480 °C, 500 °C, and 530 °C for La0.9Tb0.1NbO4+δ, La0.8Tb0.2NbO4+δ, and La0.7Tb0.3NbO4+δ, respectively. The impedance spectroscopy results suggest mixed conductivity...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Interrelated shape memory and Payne effect in polyurethane/graphene oxide nanocomposites
PublicationWe report the fabrication of graphene oxide (GO) based polyurethane (PU) nanocomposites by a simple method of mixing and their shape memory properties at different temperatures. Both the polymer and the filler were synthesized in the laboratory by simple and easy methods – PU by pre-polymer method and GO by improved graphene oxide synthesis method. High molecular level dispersion of GO platelets within the PU matrix and thus good...
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Synergistic effect of multi walled carbon nanotubes and reduced graphene oxides in natural rubber for sensing application
PublicationUtilizing the electrical properties of polymer nanocomposites is an important strategy to develop high performance solvent sensors. Here we report the synergistic effect of multi walled carbon nanotubes (MWCNTs) and reduced graphene oxide (RGO) in regulating the sensitivity of the naturally occurring elastomer, natural rubber (NR). Composites were fabricated by dispersing CNTs alone and together with exfoliated RGO sheets (thermally...
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Preparation of porous TiO2 films by means of pulsed laser deposition for photocatalytic applications
PublicationIn this work the preparation and structure properties of porous thin films of TiO2 were investigated. The films were produced by means of the pulsed laser deposition technique using laser pulses at 266nm (10Hz) and at fluencies of 1-3.5J/cm2. The process was performed in vacuum using O2 buffer gas and films were deposited on the SiO2 glass or Si substrate. X-ray diffraction (XRD) and Raman analysis of the structure and chemical...
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XPS analysis of TBBO glass
Open Research DataGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic...
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XRD patterns of TeOx-BaO-BiO powder
Open Research DataThe DataSet contains the XRD patterns of the TeOx-BaO-BiO powder. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor), barium carbonate, and bismuth carbonate with thetraetylene glycol, water, ethanol, and acetic acid. (Samples molar concentration: 73TeO2-4BaO-3Bi2O3 and 73TeO2-3BaO-4Bi2O3)....