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Rok 2020
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Synthesis, structural characterization, and thermal properties of Ca‐ and La‐doped soda‐lime glasses by laser melting
PublikacjaLaser melting techniques have been used in the preparation of unconventional glass compositions with high melting temperatures. Thus, we wanted to test the feasibility of using a CO2 laser in the preparation of nitrogen-rich oxynitride glasses and nitride silicate glasses. Melting from oxides and metallic raw materials, we wanted to study first glass formation and possible evaporation losses of the glass components. Two glass series...
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Synthesis, structure and physical properties of new intermetallic spin glass-like compounds RE2PdGe3 (RE = Tb and Dy)
PublikacjaNew intermetallic compounds Tb2Pd1.25Ge2.75 and Dy2Pd1.25Ge2.75 have been synthesized using the arc-melting method. The crystallographic structure and magnetic, electronic transport, and thermal properties are reported. The crystal structure obtained from powder x-ray diffraction analysis suggests that these compounds crystallize in the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.228 53(5)/4.230 54...
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Systematic Water Uptake Energetics of Yttrium-Doped Barium Zirconate—A High Resolution Thermochemical Study
PublikacjaA combination of surface area analyzer and microcalorimetry was employed to investigate the in situ water uptake energetics and the mechanism of proton incorporation in yttrium-doped barium zirconate in the temperature range 200–400 °C. The BaZr1–xYxO3 solid solutions are made with variable yttrium content (x = 10, 20, and 30 mol %) by a controlled oxidant-peroxo synthesis method. The water uptake increases as the partial pressure...
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The Effect of AgInS2, SnS, CuS2, Bi2S3 Quantum Dots on the Surface Properties and Photocatalytic Activity of QDs-Sensitized TiO2 Composite
PublikacjaThe eect of type (AgInS2, SnS, CuS2, Bi2S3) and amount (5, 10, 15 wt%) of quantum dots (QDs) on the surface properties and photocatalytic activity of QDs-sensitized TiO2 composite, was investigated. AgInS2, SnS, CuS2, Bi2S3 QDs were obtained by hot-injection, sonochemical, microwave, and hot-injection method, respectively. To characterize of as-prepared samples high-resolution transmission electron microscopy (HRTEM), scanning...
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The Effect of Laser Re-Solidification on Microstructure and Photo-Electrochemical Properties of Fe-Decorated TiO2 Nanotubes
PublikacjaFossil fuels became increasingly unpleasant energy source due to their negative impact on the environment; thus, attractiveness of renewable, and especially solar energy, is growing worldwide. Among others, the research is focused on smart combination of simple compounds towards formation of the photoactive materials. Following that, our work concerns the optimized manipulation of laser light coupled with the iron sputtering to...
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The effect of morphology and crystalline structure of Mo/MoO3 layers on photocatalytic degradation of water organic pollutants
PublikacjaMolybdenum oxide layers were formed by anodization of the Mo metallic foil in a water/ethylene glycol-based electrolyte containing fluoride ions. The as-prepared, amorphous samples were annealed in air at different temperatures in a range from 100 �C to 700 �C. The crystal phase and morphology of anodized and annealed MoO3 layers were investigated using X-ray diffraction, Raman spectroscopy, and scanning electron microscopy. The...
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The geometry of free-standing titania nanotubes as a critical factor controlling their optical and photoelectrochemical performance
PublikacjaTitanium dioxide nanotubes are regarded as one of the most important functional materials and due to their unique electronic properties, chemical stability and photocorrosion resistance, they find applications in, for example, highly efficient photocatalysis or perovskite solar cells. Nevertheless, modification of TiO2 nanotubes is required to overcome their main drawback, i.e. large energy bandgap (>3.2 eV) limiting their ability...
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The In-Depth Studies of Pulsed UV Laser-Modified TiO2 Nanotubes: The Influence of Geometry, Crystallinity, and Processing Parameters
PublikacjaThe laser processing of the titania nanotubes has been investigated in terms of morphology, structure, and optical properties of the obtained material. The length of the nanotubes and crystallinity, as well as the atmosphere of the laser treatment, were taken into account. The degree of changes of the initial geometry of nanotubes were checked by means of scanning electron microscopy, which visualizes both the surface and the cross-section....
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The influence of the Cu2O deposition method on the structure, morphology and photoresponse of the ordered TiO2NTs/Cu2O heterojunction
PublikacjaThe increased interest in highly ordered titania structures exhibiting tubular shape that could be directly formed onto the stable substrate is related with the intensive research on their modification enabling absorption of light within the wide solar spectrum and its further conversion into electric or chemical energy. Among others, formation of uniform 3D heterojunctions based on the TiO2 nanotubes attracts attention since porous...
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The Influence of the Electrodeposition Parameters on the Properties of Mn-Co-Based Nanofilms as Anode Materials for Alkaline Electrolysers
PublikacjaIn this work, the influence of the synthesis conditions on the structure, morphology, and electrocatalytic performance for the oxygen evolution reaction (OER) of Mn-Co-based films is studied. For this purpose, Mn-Co nanofilm is electrochemically synthesised in a one-step process on nickel foam in the presence of metal nitrates without any additives. The possible mechanism of the synthesis is proposed. The morphology and structure...
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The influence of thermal treatment on electrocatalytic properties of Mn-Co nanofilms on nickel foam toward oxygen evolution reaction activity
PublikacjaThis work evaluates electrodeposited and differently treated Mn-Co catalysts for their oxygen evolution reaction activity. Catalysts are evaluated in the as-deposited and heat treated state: after 350 C and 600 C. Results show that the highest electrochemical activity is obtained for the as-deposited Mn-Co oxyhydroxide, which possibly possess a layered double hydroxide structure. After the heat treatment process, especially after...
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The new silica-based coated SPME fiber as universal support for the confinement of ionic liquid as an extraction medium
PublikacjaThe new silica-based SPME fiber coating is reported for the first time as universal support purposed to confinement of ionic liquid as an extraction medium. Fiber coating was prepared by the sol-gel process, using potassium silicate (K2SiO3) as a precursor and dimethylformamide (DMF) as a pore-forming medium. The concept of synthesis assumes obtaining a solid porous material on the surface of the glass rod and, being characterized...
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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The Palais–Smale condition for the Hamiltonian action on a mixed regularity space of loops in cotangent bundles and applications
PublikacjaWe show that the Hamiltonian action satisfies the Palais-Smale condition over a “mixed regular- ity” space of loops in cotangent bundles, namely the space of loops with regularity H^s, s ∈ (1/2, 1), in the baseand H^{1−s} in the fiber direction. As an application, we give a simplified proof of a theorem of Hofer-Viterbo on the existence of closed characteristic leaves for certain contact type hypersufaces in cotangent bundles.
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The pulsed laser ablation synthesis of colloidal iron oxide nanoparticles for the enhancement of TiO2 nanotubes photo-activity
PublikacjaThe rapid, only a few minutes long synthesis of FeO, Fe3O4, and Fe2O3nanoparticles mixture utilizing the pulsedlaser ablation using simply pure iron target and water was demonstrated. The size and crystal phase of Fe-basedNPs were characterized using DLS and HR-TEM techniques, respectively. The metastable suspension of FeO,Fe3O4, and Fe2O3nanoparticles was used to the decoration of anodized TiO2nanotubes (TiO2-NTs) by means ofthe...
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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublikacjaThe electroluminescence quantum efficiency roll-off in iridium(III)-based complexes, namely Ir(iqbt)2(dpm) and Ir(iqbt)3(iqbt=1 (benzo[b]thiophen-2-yl)-isoquinolinate, dpm=2,2,6,6-tetramethyl-3,5-heptanedionate) utilized as near-infrared emitters in organic light emitting diodes with remarkable external quantum efficiencies, up to circa 3%, 1.5% and 1%, are measured and analyzed. With a 5–6 weight % of emitters embedded...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublikacjaWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Thermally tuneable optical and electrochemical properties of Au-Cu nanomosaic formed over the host titanium dimples
PublikacjaAu-Cu nanostructures offer unique optical and catalytic properties unlike the monometallic ones resulting from the specific interaction. Among others, they have the ability to exhibit surface plasmon resonance, electrochemical activity towards the oxygen and hydrogen evolution reaction (OER, HER) as well as improved photoresponse in relation to monometalic but those properties depend highly on the substrate where bimetallic structures...
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Topological degree for equivariant gradient perturbations of an unbounded self-adjoint operator in Hilbert space
PublikacjaWe present a version of the equivariant gradient degree defined for equivariant gradient perturbations of an equivariant unbounded self-adjoint operator with purely discrete spectrum in Hilbert space. Two possible applications are discussed.
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Total cross section measurements for electron scattering from tin(IV) chloride (SnCl4)
PublikacjaTotal cross section for electron scattering from SnCl4 molecules has been measured for energies from 0.6 to 300 eV. Obtained results have been compared with total cross sections for electron scattering from other tetrachloride molecules: XCl4 where X=C, Si, Ge.
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Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublikacjaLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
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Understanding the formation of metastable furan dication in collisions with ions
PublikacjaThis work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
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Unifying Aspects of Generalized Calculus
PublikacjaNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublikacjaThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules
PublikacjaThe photofragmentation of the isoxazole molecules producing ionized atomic and molecular fragments was investigated in the photon energy range of 9e32 eV, using synchrotron radiation excitation combined with ion time-of-flight spectrometry. Twenty-one well resolved cations were identified in the mass spectra of the isoxazole, and their appearance energies were determined. The yield curves of these cations were obtained in the photon...
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VUV photofragmentation of the six-membered heterocyclic molecules containing oxygen
PublikacjaCancer is a significant public health concern worldwide, which results in millions of deaths each year. The standard cure routine for cancer is surgery, and nowadays, radiotherapy or a hadrontherapy. Depending on the type of cancer, patients may undergo additional treatment, including targeted therapy. A combination of radio- or hadron-therapy with proper drug treatment can inhibit the proliferation of cancer cells and thus can...
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Weak localization competes with the quantum oscillations in a natural electronic superlattice: The case of Na1.5(PO2)4(WO3)20
PublikacjaWe report an investigation of the combined structural and electronic properties of the bronze Na1.5(PO2)4(WO3)20. Its low-dimensional structure and possible large reconstruction of the Fermi surface due to charge density wave instability make this bulk material a natural superlattice with a reduced number of carriers and Fermi energy. Signatures of multilayered two-dimensional (2D) electron weak localization are consequently reported,...
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Właściwości elektryczne i magnetyczne szkła Fe2O3 – SiO2 – PbO
PublikacjaSzkło Fe2O3–SiO2–PbO wydaje się być obiecującym materiałem do zastosowań w urządzeniach elektrycznych takich jak rdzenie cewek, czujniki pola magnetycznego oraz mikrotransformatory. Jest to spowodowane korzystnymi właściwościami takimi jak stosunkowo wysoka rezystywność oraz w miarę duża przenikalność magnetyczna. Pierwsza wymieniona cecha skutkuje brakiem strat energii na prądy wirowe. Natomiast druga cecha oznacza potencjalną...
Rok 2019
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A correlation between electron-hole pair radii and magnetomodulation of exciplex fluorescence in electron donor-electron acceptor organic systems
PublikacjaElectric field dependencies of electromodulated photoluminescence and magnitudes of the magnetic-field effect on photoluminescence havebeen measured in vacuum-evaporated films of m-MTDATA [4,4',4"-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine]:bathophe-nanthroline, m-MTDATA:BCP (bathocuproine), as well as 4,4',4"-tris[2-naphthyl(phenyl)amino]triphenylamine:BCP. The Sano-Tachiya-Noolandi-Hong extension of standard Onsager...
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A negative effect of carbon phase on specific capacity of electrode material consisted of nanosized bismuth vanadate embedded in carbonaceous matrix
PublikacjaLithium-ion batteries (LIBs) are widely used all over the world. The LIBs belong to a renewable energy source and energy storage devices. The increase in energy demand causes that new materials of higher energy and higher power densities are still under investigation. Herein, we compare electrochemical properties of bismuth vanadate (BiVO4) embedded and not embedded into carbonaceous matrix as an anode material along with structural...
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A new simple approach to prepare rare-earth metals-modified TiO2 nanotube arrays photoactive under visible light: Surface properties and mechanism investigation
PublikacjaApplication of Ti90RE10 alloys (RE = Ho, Er, Nd, Y, Ce, Tm) as a working electrode, instead of Ti pure foil in anodic oxidation in a fluoride-based electrolyte, resulted in formation of well-ordered nanotubes made of TiO2 and RE2O3 mixture, which could be efficiently used for pollutant removal from water and air phase upon UV and visible irradiation and easily separable from the reaction mixture to recycle. The as-prepared NTs...
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About the Noether’s theorem for fractional Lagrangian systems and a generalization of the classical Jost method of proof
PublikacjaRecently, the fractional Noether's theorem derived by G. Frederico and D.F.M. Torres in [10] was proved to be wrong by R.A.C. Ferreira and A.B. Malinowska in (see [7]) using a counterexample and doubts are stated about the validity of other Noether's type Theorem, in particular ([9],Theorem 32). However, the counterexample does not explain why and where the proof given in [10] does not work. In this paper, we make a detailed analysis...
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Amyloid fibril formation in the presence of water structure-affecting solutes
PublikacjaThe impact of the differently hydrated non-electrolytes (protein structure destabilizers) on the fibrillation of hen egg white lysozyme (HEWL) was investigated. Two isomeric urea derivatives i.e. butylurea (BU) and N,N,N′,N′-tetramethylurea (TMU) were chosen as a tested compounds. The obtained results show that butylurea exerts greater impact on HEWL and its fibrillation than tetramethylurea. Both substances decrease the time of...
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Analizy epidemiologiczne w środowisku MATLAB/Octave
PublikacjaW artykule skonstruowano proste modele matematyczne rozprzestrzeniania się chorób zakaźnych oparte na równaniach różniczkowych oraz automatach komórkowych. Na przykładzie modeli SIS i SIR zilustrowano praktyczne zastosowanie pojęć matematycznych nauczanych w toku studiów. Za pomocą symulacji komputerowych, do których użyto pakietów matematycznych MATLAB i Octave, uzyskano wizualizacje tempa rozwoju danej choroby oraz...
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Analysis of the possibility of creep damage detection in T24 heat resistant steel with the help of magnetic nondestestructive testing methods
PublikacjaThe paper presents the result of an analysis of applicability of various electromagnetic methods of nondestructive evaluation for creep damage detection in a novel heat resistant steel - T24 grade. Two sample sets, cut out from membrane wall tubes, were investigated – the as-delivered one and another exploited for 36,000 h in a power plant. There are described results of magnetic hysteresis loops B(H), Barkhausen noise (BN) and...
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Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublikacjaWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
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Application of two-dimensional intensity maps in high-accuracy polarimetry
PublikacjaWe propose the analysis of 2D intensity contour maps which is based on the optical transmission function for the polarizer-specimen-analyzer system. A small modification of the high-accuracy universal polarimeter (HAUP) technique was used to measure the intensity maps (HAUP maps) and determine the phase retardation, linear dichroism (LD) parameters, and multiple light reflection contribution in uniaxial crystals. We have performed...
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Badania tytanianu strontu podstawianego żelazem jako potencjalnego materiału katodowego dla tlenkowych ogniw paliwowych
PublikacjaW publikacji przedstawiono motywację podjętych badań nad podstawianymi żelazem tytanianem strontu do zastosowań w wysokotemperaturowych ogniwach paliwowych oraz ukazano wstępne wyniki badań elektrycznych oraz elektrochemicznych.
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Badanie parametrów wewnętrznego reformingu biogazu w tlenkowych ogniwach paliwowych z anodowymi warstwami katalitycznymi Ce0,9Pr0,1O2-δ i Ce0,9Sm0,1O2-δ
PublikacjaOgniwa paliwowe są obiecującą alternatywą dla energetyki opartej na paliwach kopalnych. Tlenkowe ogniwo paliwowe to urządzenie elektrochemiczne, które pozwala na bezpośrednie przetwarzanie energii chemicznej paliwa na energię stałego prądu elektrycznego. Standardowo wykorzystywanym paliwem jest wodór, który podczas utleniania nie wytwarza zanieczyszczeń, a produktami reakcji są woda i ciepło. Jednakże składowanie i transport czystego...
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Bernstein-type theorem for ϕ-Laplacian
PublikacjaIn this paper we obtain a solution to the second-order boundary value problem of the form \frac{d}{dt}\varPhi'(\dot{u})=f(t,u,\dot{u}), t\in [0,1], u\colon \mathbb {R}\to \mathbb {R} with Sturm–Liouville boundary conditions, where \varPhi\colon \mathbb {R}\to \mathbb {R} is a strictly convex, differentiable function and f\colon[0,1]\times \mathbb {R}\times \mathbb {R}\to \mathbb {R} is continuous and satisfies a suitable growth...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublikacjaWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
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Characterization methods of nickel nano-particles obtained by the ex-solution process on the surface of Pr, Ni-doped SrTiO3 perovskite ceramics
PublikacjaIn this paper, a novel electrode material based on Pr, Ni co-doped strontium titanate ( Sr0.7Pr0.3)xTi1−yNiyO3 with constant amount of 30% praseodymium dopant, different amount of nickel (y = 0.06 and y = 0.10) and additional nonstoichiometry in Sr-site (x = 1; x = 0.9 and x = 0.8) was investigated as fuel electrode for SOEC devices. A porous ceramics were prepared by solid-state reaction method. X-ray diffraction measurements...
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Charge density wave and large nonsaturating magnetoresistance in YNiC2 and LuNiC2
PublikacjaWe report a study of physical properties of two quasi-low-dimensional metals YNiC2 and LuNiC2 including the investigation of transport, magnetotransport, galvanomagnetic, and specific heat properties. In YNiC2 we reveal two subsequent transitions associated with the formation of weakly coupled charge density wave at TCDW=318K and its locking in with the lattice at T1=275K. These characteristic temperatures follow the previously...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Clarke duality for Hamiltonian systems with nonstandard growth
PublikacjaWe consider the existence of periodic solutions to Hamiltonian systems with growth conditions involving G-function. We introduce the notion of symplectic G-function and provide relation for the growth of Hamiltonian in terms of certain constant CG associated to symplectic G-function G. We discuss an optimality of this constant for some special cases. We also provide applications to the Φ-laplacian type systems.
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublikacjaThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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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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Cross sections for electron collision with pyridine [C5H5N] molecule
PublikacjaThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...