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Wyniki wyszukiwania dla: DOPED QUANTUM DOTS
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Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
PublikacjaAb initio quantum calculations for low-energy positron scattering from gas-phase isolated molecular nucleobases which are part of the DNA structure are presented and discussed over the range of 1 eV to 25 eV. The calculations report the integral cross sections (ICSs) and the momentum-transfer cross sections (MTCSs) for Adenine, Guanine, Thymine and Cytosine. The calculations show very clearly the important role of the dominant...
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1,3-alternate calix[4]arene-bonded silica stationary phases. Effect of calixarene skeleton substituents on the retention mechanism and column selectivity
PublikacjaFour novel 1,3-alternate calix[4]arene-bonded silica gel stationary phases possessing different aromatic and aliphatic substituents at the upper rim (CalixNph, CalixBph, CalixHex and CalixDdc) were prepared and structurally characterized. The comparison and selectivity of these phases was done by using alkylbenzenes, fatty acid p-bromophenacyl esters, aromatic positional isomers and polynuclear aromatic hydrocarbons as analytes....
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Inseparability criteria based on matrices of moments
PublikacjaInseparability criteria for continuous and discrete bipartite quantum states based on moments of annihilationand creation operators are studied by developing the idea of Shchukin-Vogel criterion Phys. Rev. Lett. 95,230502 2005. If a state is separable, then the corresponding matrix of moments is separable too. Thus, wederive generalized criteria based on the separability properties of the matrix of moments. In particular, acriterion...
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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System information propagation for composite structures
PublikacjaWe study in details decoherence process of a spin register, coupled to a spin environment. We use recently developed methods of information transfer study in open quantum systems to analyze information flow between the register and its environment. We show that there are regimes when not only the register decoheres effectively to a classical bit string, but this bit string is redundantly encoded in the environment, making it available...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublikacjaMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Do positrons measure atomic and molecular diameters?
PublikacjaWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublikacjaWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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Negative result about the construction of genuinely entangled subspaces from unextendible product bases
PublikacjaUnextendible product bases (UPBs) provide a versatile tool with various applications across different areas of quantum information theory. Their comprehensive characterization is thus of great importance and has been a subject of vital interest for over two decades now. An open question asks about the existence of UPBs, which are genuinely unextendible, i.e., they are not extendible even with biproduct vectors. In other words,...
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Efficiency of exciton splitting in organic photovoltaic cells within EQE spectrum
PublikacjaThe paper presents a procedure of estimating the efficiency of exciton splitting at ED/EA interface. The procedure consists in evaluation of splitting of excitons into electron-hole pairs on the basis of the external quantum efficiency spectra of planar cells and spectra of absorbance of active organic layers. The fitting parameters are the exciton splitting probabilities at ED/EA interface. The presented procedure was applied...
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Electrical Interface Parameters of PEDOT: PSS: Effect of Electrodeposition Charge Evaluated Under Body Conditions for Neural Electrode Applications
PublikacjaThis study explores the influence of the deposition charge of poly(3,4-ethylenedioxythiophene) doped with polystyrene sulfonate (PEDOT:PSS) on its electrical interface parameters. For this purpose, PEDOT:PSS was fabricated by electrodeposition on commercial platinum electrodes with the time limited by different charges (1, 3, 6, 9 mC). Further, the electrodes were characterized regarding their electrical interface such as interfacial...
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The use of thin diamond films in fiber optic low-coherence interferometers”
PublikacjaIn this paper we present the use of thin diamond films in fiber-optic low-coherence interferometers. Two kinds of diamond surfaces were used: undoped diamond film and boron-doped diamond film. They were deposited on glass plates as well as silicon layers. A conventionally used mirror was used as a reference layer. Diamond films were deposited using Microwave Plasma Enhanced Chemical Vapour Deposition (μPE CVD) system. Measurements...
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Ceramic composites for single-layer fuel cells
PublikacjaComposite materials consisting of acceptor doped lanthanum orthoniobate electrolyte phase (La0.98Ca0.02NbO4) and Li2O:NiO:ZnO semiconducting phase were synthesized. The precursor powder of La0.98Ca0.02NbO4 was prepared in nanocrystalline (mechanosynthesis) and microcrystalline (solid-state synthesis) form. The composite can be applied in a single-layer fuel cell, because of the presence of two phases acting as an anode and a cathode...
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Electrophoretic co-deposition of Mn1.5Co1.5O4, Fe2O3 and CuO: Unravelling the effect of simultaneous addition of Cu and Fe on the microstructural, thermo-mechanical and corrosion properties of in-situ modified spinel coatings for solid oxide cell interconnects
PublikacjaA systematic microstructural, thermo-mechanical and electrical characterization of simultaneous Fe–Cu doped Mn–Co spinel coatings processed by electrophoretic co-deposition on Crofer 22 APU is here reported and discussed. An innovative approach for the simultaneous electrophoretic deposition of three spinel precursors is designed, conceived and optimised, with the aim of outlining time- and energy-saving spinel modification routes....
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Hydrothermal Cobalt Doping of Titanium Dioxide Nanotubes towards Photoanode Activity Enhancement
PublikacjaDoping and modification of TiO2 nanotubes were carried out using the hydrothermal method. The introduction of small amounts of cobalt (0.1 at %) into the structure of anatase caused an increase in the absorption of light in the visible spectrum, changes in the position of the flat band potential, a decrease in the threshold potential of water oxidation in the dark, and a significant increase in the anode photocurrent. The material...
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Sustainable energy system combined biogas-feedSolid Oxide Fuel Cell and Microalgae technology
PublikacjaIn the new frontier of energy and environmental safety, new efficient and clean safe energy conversion systems are required. In this sense, the present work is framed within the context of Circular Economy and proposes a multidisciplinary study for the development of more efficient, economically viable and non-polluting energy conversion systems, based on the synergetic combination of different technologies: fuel cells, biofuels,...
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Investigating Layered Topological Magnetic Materials as Efficient Electrocatalysts for the Hydrogen Evolution Reaction under High Current Densities
PublikacjaDespite considerable progress, high-performing durable catalysts operating under large current densities (i.e., >1000 mA/cm2) are still lacking. To discover platinum group metal-free (PGMfree) electrocatalysts for sustainable energy, our research involves investigating layered topological magnetic materials (semiconducting ferromagnets) as highly efficient electrocatalysts for the hydrogen evolution reaction under high current...
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Significance of Dermoscopy in Association with Clinical Features in Differentiation of Basal Cell Carcinoma and Benign Trichoblastic Tumours
PublikacjaBackground: Although basal cell carcinoma (BCC) can, in the majority of cases, be diagnosed based on clinical and dermoscopic assessment, a potential overlap with benign adnexal skin tumours seems to exist, including trichoblastic tumours (TT). Methods: Retrospective analysis of clinical and dermoscopic features of benign TT and BCC cases was performed to develop a diagnostic algorithm with a potential utility in clinical practice....
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Novel two-step synthesis method of thin film heterojunction of BiOBr/Bi2WO6 with improved visible-light-driven photocatalytic activity
PublikacjaA novel two-step ionic liquid assisted procedure was applied for a controllable synthesis of BiOBr/Bi2WO6 heterojunction thin films. The preparation route involved an anodic oxidation of tungsten foil and hydrothermal transformation of as-anodized oxide in the presence of bismuth precursor and ionic liquid, N-butylpyridinium bromide [BPy][Br]. The BiOBr plates with irregular shapes adhered to the surface of flower-like Bi2WO6 and...
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Fluorescence of nanodiamond cocktails: pH-induced effects through interactions with comestible liquids
PublikacjaFluorescent nanodiamonds with nitrogen-vacancy centers have become important nanoscale probes for sensing and imaging. The surface chemistry of the nanodiamonds influences their emission, interactions, and quantum properties. In this work, we propose to utilize fluorescent nanodiamonds as photostable markers for investigation of comestible liquids. We prepared nanodiamond/comestibles suspensions/cocktails with a wide range of pH...
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Site-selective magnetic order of neptunium inNp2Ni17
PublikacjaWe present the results obtained by superconducting quantum interference device (SQUID) magnetometry, specific heat, and Mossbauer spectroscopy measurements carried out on Np2Ni17 polycrystalline samples. We show that long-range magnetic order, with a moment mu((2b)) similar to 2.25 mu(B), occurs below T-N = 17.5 K on the Np (2b) sites. A nontrivial situation is observed in that the other Np sites (2d) do not take part to the order...
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Redundant information encoding in QED during decoherence
PublikacjaBroadly understood decoherence processes in quantum electrodynamics, induced by neglecting either the radiation [L. Landau, Z. Phys. 45, 430 (1927)] or the charged matter [N. Bohr and L. Rosenfeld, K. Danske Vidensk. Selsk, Math.-Fys. Medd. XII, 8 (1933)], have been studied from the dawn of the theory. However, what happens in between, when a part of the radiation may be observed, as is the case in many real-life situations, has...
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Can Communication Power of Separable Correlations Exceed That of Entanglement Resource?
PublikacjaThe scenario of remote state preparation with a shared correlated quantum state and one bit of forward communication [B. Dakić et al., Nat. Phys. 8, 666 (2012)] is considered. Optimization of the transmission efficiency is extended to include general encoding and decoding strategies. The importance of the use of linear fidelity is recognized. It is shown that separable states cannot exceed the efficiency of entangled states by...
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Necessary and Sufficient Condition for State-Independent Contextual Measurement Scenarios
PublikacjaThe problem of identifying measurement scenarios capable of revealing state-independent contextuality in a given Hilbert space dimension is considered. We begin by showing that for any given dimension d and any measurement scenario consisting of projective measurements, (i) the measure of contextuality of a quantum state is entirely determined by its spectrum, so that pure and maximally mixed states represent the two extremes...
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An analysis of solar energy conversion systems based on photon and thermal processes
PublikacjaSolar spectral irradiance covers a fairly broad wavelength range. Solar radiation is part of the electromagnetic spectrum which is described by the concept of wave-particle duality. The corpuscular theory of electromagnetic radiation states that energy is transmitted by photons. Photons carry specific amounts of energy which can be used to convert solar energy into other types of energy, in particular electricity. The internal...
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Elemental and tight monogamy relations in nonsignaling theories
PublikacjaPhysical principles constrain the way nonlocal correlations can be distributed among distant parties. These constraints are usually expressed by monogamy relations that bound the amount of Bell inequality violation observed among a set of parties by the violation observed by a different set of parties. We prove here that much stronger monogamy relations are possible for nonsignaling correlations by showing how nonlocal correlations...
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Realistic noise-tolerant randomness amplification using finite number of devices
PublikacjaRandomness is a fundamental concept, with implications from security of modern data systems, to fundamental laws of nature and even the philosophy of science. Randomness is called certified if it describes events that cannot be pre-determined by an external adversary. It is known that weak certified randomness can be amplified to nearly ideal randomness using quantum-mechanical systems. However, so far, it was unclear whether randomness amplification...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublikacjaReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Photoluminescence of partially reduced Eu2+/Eu3+ active centers in a NaF–Al2O3–P2O5 glassy matrix with tunable smooth spectra
PublikacjaIn this work, a series of photoluminescent materials have been synthesized based on optically transparent and chemically stable glasses of the nominal composition Na3Al2(PO4)2F3 (NaF–Al2O3–P2O5 system) doped with 1 wt% of europium. It has been shown that the synthesis conditions (mainly the temperature and duration of the melting stage under reducing conditions) strongly affected the photoluminescence spectra of the material. This...
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Nanolayers in Fiber-Optic Biosensing
PublikacjaIn this chapter, fiber-optic sensors based on nanolayers or thin films and their ability to perform biophotonic measurements is presented. In the last decade, fiber-optic sensors have gained popularity as biosensing devices. This has been made possible because of the design and the integration of new materials in fiber-optic technology. Nanolayers and thin films made from various materials such as nanodiamond (NCD), boron-doped...
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Highly stable organic–inorganic junction composed of hydrogenated titania nanotubes infiltrated by a conducting polymer
PublikacjaA poly(3,4-ethylenedioxythiophene) conducting polymer doped with poly(2-styrene sulfonate) (pEDOT:PSS) was efficiently electrodeposited on a layer composed of ordered titania nanotubes. TiO2 nanotubes were formed during an anodization process and, after calcinations, a layer was subjected to hydrogen plasma. Hydrogenation leads to Ti(III) formation, a decrease in resistance, and a huge increase of donor density when compared with...
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Stability of thin film diamond mirror for applications in interferometers under the short-time exposure on selected aggressive chemicals
PublikacjaIn presented study a thin boron-doped diamond film was proposed for application in the interferometry as a highly durable optical mirror. The unique properties of the diamond films, like high chemical stability and hardness, allow them to be used even in the chemically aggressive environment, where the commonly used silver mirrors can be susceptible to damage. The investigated nanodiamond layer was fabricated by uPE CVD method...
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High-temperature properties of titanium-substituted yttrium niobate
Publikacjahe defect fluorite titanium-doped yttrium niobate samples Y3Nb1−xTixO7−δ have been synthesized and investigated by the means of high-temperature X-ray diffraction, dilatometry, and thermogravimetry. Thermal expansion coefficients (TECs) as well as chemical expansion coefficients for material with 5, 10, and 15 mol% of titanium were determined. All investigated samples exhibit chemical contraction caused by Ti doping. The values...
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Structure and magnetic properties of BeO-Fe2O3-Al2O3-TeO2 glass-ceramic composites
PublikacjaIn this work, glass-ceramics in the xBeO–20Fe2O3–(80-x)TeO2 system with x = 0–25 mol% were synthesized by the traditional melt quenching route and studied by inductively coupled plasma optical emission spectroscopy, X-ray diffraction, confocal microscopy, infrared and Raman spectroscopy. BeO addition was found to support the crystallization process of Fe2O3 during melting, and an increased BeO content was associated with an increased...
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Enhanced photocatalytic activity of transparent carbon nanowall/TiO2 heterostructures
PublikacjaThe synthesis of novel tunable carbon-based nanostructure represented a pivotal point to enhance the efficiency of existing photocatalysts and to extend their applicability to a wider number of sustainable processes. In this letter, we describe a transparent photocatalytic heterostructure by growing boron-doped carbon nanowalls (B-CNWs) on quartz, followed by a simple TiO2 sol-gel deposition. The effect on the thickness and boron-doping...
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Wavepacket of the Universe and its Spreading
PublikacjaWavepackets in quantum mechanics spread and the Universe in cosmology expands. We discuss a formalism where the two effects can be unified. The basic assumption is that the Universe is determined by a unitarily evolving wavepacket defined on space-time. Space-time is static but the Universe is dynamic. Spreading analogous to expansion known from observational cosmology is obtained if one regards time evolution as a dynamical process...
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Hydroperoxyl radical and formic acid formation from common DNA stabilizers upon low energy electron attachment
Publikacja2-Amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) and ethylenediaminetetraacetic acid (EDTA) are key components of biological buffers and are frequently used as DNA stabilizers in irradiation studies. Such surface or liquid phase studies are done with the aim to understand the fundamental mechanisms of DNA radiation damage and to improve cancer radiotherapy. When ionizing radiation is used, abundant secondary electrons are formed...
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The LaPdIn 4 indide and elementary properties of the LaTIn 4 ( T = Ni, Pd, Pt) materials family
PublikacjaThe indium-rich intermetallic compound LaPdIn4 is reported, prepared by arc-melting and annealing at 600 C. Single crystal X-ray diffraction found the material to be orthorhombic, space group Cmcm (No. 63), with lattice parameters a ¼ 4.5462(3) Å, b ¼ 16.9208(10) Å, and c ¼ 7.3100(5) Å. This previously unreported indide is isostructural with LaNiIn4 and LaPtIn4. It is demonstrated that all three compounds in the LaTIn4 (T ¼ Ni,...
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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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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublikacjaThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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Evaluating experimental molecular physics studies of radiation damage in DNA*
PublikacjaThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
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Constructing genuinely entangled multipartite states with applications to local hidden variables and local hidden states models
PublikacjaBuilding upon the results of R. Augusiak et al. [Phys. Rev. Lett. 115, 030404 (2015)] we develop a general approach to the generation of genuinely entangled multipartite states of any number of parties from genuinely entangled states of a fixed number of parties, in particular, the bipartite entangled ones. In our approach, certain isometries whose output subspaces are either symmetric or genuinely entangled in some multipartite...
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Macrocyclic derivatives of imidazole as chromoionophores for bismuth(III)/lead(II) pair
Publikacja18-membered diazomacrocycles with imidazole or 4-methylimidazole residue as a part of macrocycle were used as chromoionophores in bismuth(III) and lead(II) dual selective optodes for the first time. Cellulose triacetate membranes doped with macrocyclic chromoionophores are bismuth(III) and lead(II) selective with color change from orange/red to different shades of blue and violet, respectively. Results obtained for model and real...
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Ultrafast high-temperature sintering (UHS) of cerium oxide-based compound
PublikacjaUltrafast high-temperature sintering (UHS) is an innovative sintering technique that can densify ceramics in a few seconds, dramatically reducing the carbon footprint and firing costs. In this work, the feasibility of applying UHS in Gd-doped ceria (GDC) and GDC-Er-stabilized bismuth oxide (ESB) composite powders was investigated. At high UHS currents (22-24 A), a fully dense GDC sample with a large grain size was obtained. Nonetheless,...
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TiO2-C nanocomposite synthesized via facile surfactant-assisted method as a part of less energy-consuming LED-based photocatalytic system for environmental applications
PublikacjaA novel facile method was used to incorporate carbon into the titania structure. An alternative synthesis method of carbon-doped TiO2 has been proposed by using a widely used and cheap surfactant. During the process, cetyltrimethylammonium bromide plays a dual role, as a morphology modifier and as a carbon source. The presented approach allows obtained TiO2-C nanostructures to be anatase nanocrystals with carbon being deposited...
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The Chemical and Biological Properties of Nanohydroxyapatite Coatings with Antibacterial Nanometals, Obtained in the Electrophoretic Process on the Ti13Zr13Nb Alloy
PublikacjaThe risk of an early inflammation after implantation surgery of titanium implants has caused the development of different antimicrobial measures. The present research is aimed at characterizing the effects of nanosilver and nanocopper dispersed in the nanohydroxyapatite coatings, deposited on the Ti13Zr13Nb alloy, and on the chemical and biological properties of the coatings.The one-stage deposition process was performed by the...
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublikacjaWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Quantifying Contextuality
PublikacjaContextuality is central to both the foundations of quantum theory and to the novel information processing tasks. Despite some recent proposals, it still faces a fundamental problem: how to quantify its presence? In this work, we provide a universal framework for quantifying contextuality. We conduct two complementary approaches: (i) the bottom-up approach, where we introduce a communication game, which grasps the phenomenon of...
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Crossover from charge density wave stabilized antiferromagnetism to superconductivity in Nd1−xLaxNiC2 compounds
PublikacjaThe path from the charge density wave antiferromagnet NdNiC2 to the noncentrosymmetric superconductor LaNiC2 is studied by gradual replacement of Nd by La ions. The evolution of physical properties is explored by structural, magnetic, transport, magnetoresistance, and specific heat measurements. With the substitution of La for Nd, the Peierls temperature is gradually suppressed, which falls within the BCS mean-field relation for...