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Wyniki wyszukiwania dla: DOPED QUANTUM DOTS
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All Nonclassical Correlations Can Be Activated into Distillable Entanglement
PublikacjaWe devise a protocol in which general nonclassical multipartite correlations produce a physically relevant effect, leading to the creation of bipartite entanglement. In particular, we show that the relative entropy of quantumness, which measures all nonclassical correlations among subsystems of a quantum system, is equivalent to and can be operationally interpreted as the minimum distillable entanglement generated between the system...
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Binary-Encounter Model for Direct Ionization of Molecules by Positron-Impact
PublikacjaWe introduce two models for the computation of direct ionization cross sections by positron impact over a wide range of collision energies. The models are based on the binary-encounter-Bethe model and take into account an extension of the Wannier theory. The cross sections computed with these models show good agreement with experimental data. The extensions improve the agreement between theory and experiment for collision energies...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublikacjaAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublikacjaThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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Fine-Tuning the Photocatalytic Activity of the Anatase {1 0 1} Facet through Dopant-Controlled Reduction of the Spontaneously Present Donor State Density
PublikacjaThe present study highlights the importance of the net density of charge carriers at the ground state on photocatalytic activity of the faceted particles, which can be seen as a highly underexplored problem. To investigate it in detail, we have systematically doped {1 0 1} enclosed anatase nanoparticles with Gd3+ ions to manipulate the charge carrier concentration. Furthermore, control experiments using an analogical Nb5+ doped...
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Low-energy positron scattering from gas-phase uracil
PublikacjaQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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The influence of anchoring group position in ruthenium dye molecule on performance of dye-sensitized solar cells
PublikacjaThe effect of anchoring group position and, in consequence, the orientation of the ruthenium dye molecule on titania surface on the performance of dye-sensitized solar cells has been studied intensively. Three model ruthenium sensitizing dyes bearing carboxylic anchoring group in ortho, meta or para position were synthesized and well characterized by spectroscopic, electrochemical, photophysical and photochemical measurements....
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Vibrational excitation of acetylene by positron impact
PublikacjaVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Low-coherence photonic method of electrochemical processes monitoring
PublikacjaWe present an advanced multimodality characterization platform for simultaneous optical and electrochemical measurements of ferrocyanides. Specifcally, we combined a fber-optic Fabry– Perot interferometer with a three-electrode electrochemical setup to demonstrate a proof-ofprinciple of this hybrid characterization approach, and obtained feasibility data in its monitoring of electrochemical reactions in a boron-doped diamond flm...
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Amplifying the Randomness of Weak Sources Correlated With Devices
PublikacjaThe problem of device-independent randomness amplification against no-signaling adversaries has so far been studied under the assumption that the weak source of randomness is uncorrelated with the (quantum) devices used in the amplification procedure. In this paper, we relax this assumption, and reconsider the original protocol of Colbeck and Renner using a Santha-Vazirani (SV) source. To do so, we introduce an SV-like condition...
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Entanglement of genuinely entangled subspaces and states: Exact, approximate, and numerical results
PublikacjaGenuinely entangled subspaces (GESs) are those subspaces of multipartite Hilbert spaces that consist only of genuinely multiparty entangled pure states. They are natural generalizations of the well-known notion of completely entangled subspaces, which by definition are void of fully product vectors. Entangled subspaces are an important tool of quantum information theory as they directly lead to constructions of entangled states,...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublikacjaSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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Contra Bellum: Bell's Theorem as a Confusion of Languages
PublikacjaBell's theorem is a conflict of mathematical predictions formulated within an infinite hierarchy of mathematical models. Inequalities formulated at level k ∈ Z are violated by probabilities at level k+1. We are inclined to think that k=0 corresponds to the classical world, while k=1 — to the quantum one. However, as the k=0 inequalities are violated by k=1 probabilities, the same relation holds between k=1 inequalities violated...
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublikacjaCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublikacjaQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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In Vitro Dissolution of Na-Ca-P-Oxynitrides
Publikacja: Sodium-calcium-phosphate based oxynitride glasses and glass-ceramics doped with Mg, Si, and Nb were studied in vitro in simulated body fluid (SBF) under static conditions. The release of ions and pH changes up to 7 days of immersion were investigated. The nitrogen incorporation into phosphate glass matrix was found to notably influence in vitro dissolution only of homogenous glasses. Increasing the nitrogen content in the samples...
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Influence of titanium layer on counter electrode on electrical parameters of DSSC
PublikacjaIn this paper the influence of the Ti layer thickness at counter-electrode on electrical parameters of DSSCs was examined. The transparent conductive oxide – less (TCO-less) counter electrodes (CE) with titanium layers and platinum as catalyst on Bk7 glass were prepared. Thin metallic films were deposited by means of magnetron sputtering (titanium) and Pulsed Laser Deposition (platinum). The counter electrode with Pt layer on Fluorine...
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Quenching effects in organic electroluminescence
PublikacjaWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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Influence of the boron doping level on the electrochemical oxidation of the azo dyes at Si/BDD thin film electrodes
PublikacjaIn this study the efficiency of electrochemical oxidation of aromatic pollutants, such as reactive dyes, at boron-doped diamond on silicon (Si/BDD) electrodes was investigated. The level of [B]/[C] ratio which is effective for the degradation and mineralization of selected aromatic pollutants, and the impact of [B]/[C] ratio on the crystalline structure, layer conductivity and relative sp3/sp2 coefficient of a BDD electrode were...
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Diamondized carbon nanoarchitectures as electrocatalytic material for sulfate-based oxidizing species electrogeneration
PublikacjaThe introduction of nanotechnology seems to be an imperative factor to intensify the synergic effects of electrocatalytic materials to produce strong oxidant species or to increase the active sites on their surfaces as well as to enhance the conversion yield in a fuel cell, high-added value products, electrolytic treatment for environmental protection or the detection limit in electroanalysis. Recently, a new type of 3D-diamond...
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Entanglement-redistribution boxes
PublikacjaWe establish a framework to study the classical-communication properties of primitive local operations assisted by classical communication which realize various redistributions of entanglement, like, e.g., entanglement swapping. On the one hand, we analyze what local operations and how much classical communication are needed to perform them. On the other hand, we investigate whether and to what extent such primitives can help to...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublikacjaFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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A Note on Fractional Curl Operator
PublikacjaIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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Tin oxide nanoparticles from laser ablation encapsulated in a carbonaceous matrix – a negative electrode in lithium-ion battery applications
PublikacjaThis report concerns carbonaceous electrodes doped with tin(II) oxide nanoparticles. Tin nanoparticles are obtained by pulsed laser ablation in water. Crystalline nanoparticles have been encapsulated in a carbonaceous matrix formed after pyrolysis of a mixture consisting of tin/tin(IV) oxide nanoparticles and gelatine. The obtained material is characterized by means of X-ray diffraction, selected area diffraction, scanning electron...
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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
PublikacjaThe miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublikacjaElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublikacjaThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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Entropy Production Associated with Aggregation into Granules in a Subdiffusive Environment
PublikacjaWe study the entropy production that is associated with the growing or shrinking of a small granule in, for instance, a colloidal suspension or in an aggregating polymer chain. A granule will fluctuate in size when the energy of binding is comparable to k_{B}T, which is the “quantum” of Brownian energy. Especially for polymers, the conformational energy landscape is often rough and has been commonly modeled as being self-similar...
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Kagome Lattice Promotes Chiral Spin Fluctuations
PublikacjaDynamical spin fluctuations in magnets can be endowed with a slight bent toward left- or right-handed chirality by Dzyaloshinskii-Moriya interactions. However, little is known about the crucial role of lattice geometry on these chiral spin fluctuations and on fluctuation-related transport anomalies driven by the quantum-mechanical (Berry) phase of conduction electrons. Via thermoelectric Nernst effect and electric Hall effect experiments,...
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Application of thin diamond films in low-coherence fiber-optic Fabry Pérot displacement sensor
PublikacjaThe novel fiber-optic low coherence sensor with thin diamond films is demonstrated. The undoped and boron-doped diamond films were elaborated by the use of the microwave plasma enhanced chemical vapor deposition (μPE CVD) system. The optical signal from the Fabry–Pérot cavity made with the application of those thin films is sensitive to displacement. The sensor characterization was made in the range of 0–600 μm. The measurements...
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Microstructure and Electrical Properties of Fe,Cu Substituted (Co,Mn)3O4 Thin Films
PublikacjaIn this work, thin films (~1000 nm) of a pure MnCo2O4 spinel together with its partially substituted derivatives (MnCo1.6Cu0.2Fe0.2O4, MnCo1.6Cu0.4O4, MnCo1.6Fe0.4O4) were prepared by spray pyrolysis and were evaluated for electrical conductivity. Doping by Cu increases the electrical conductivity, whereas doping by Fe decreases the conductivity. For Cu containing samples, rapid grain growth occurs and these samples develop cracks...
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Characterization of CaTi0.9Fe0.1O3/La0.98Mg0.02NbO4 composite
PublikacjaA composite of CaTi0.9Fe0.1O3 and electrolyte material, i.e. magnesium doped La0.98Mg0.02NbO4 was prepared and studied. The phase content and the sample microstructure was examined by an X-ray diffraction method and scanning electron microscopy. EDS measurements were done both for composite samples and the diffusion couple. The electrical properties were studied by four terminal DC method. The Ahigh-temperature interaction between...
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Water uptake and energetics of the formation of barium zirconate based multicomponent oxides
PublikacjaA group of multi-component oxides based on BaZrO3 have been prepared using a solid-state reaction method and examined in terms of their water uptake and thermodynamics of formation. Depending on the type and amount of acceptor substitution, the synthesized compounds exhibit various proton defect concentrations, reaching up to 0.2 mol/mol for a compound containing 10 different elements in the B-sublattice, where 50% of them are...
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Effects of Ca2+, Mg2+, Na+, and K+ substitutions on the microstructure and electrical properties of GdCoO3 ceramics
PublikacjaGdCoO3-δ, Gd0.975Na0.025CoO3-δ, Gd0.98K0.02CoO3-δ, Gd0.98Ca0.02CoO3-δ, and GdCo0.99Mg0.01O3-δ ceramics were prepared via a solid-state reaction route. Among the dopants studied, substitution with Ca2+ slightly enhanced the densfication of GdCoO3 ceramics. All the lattice parameters of the doped ceramics were larger than those of pure GdCoO3-δ ceramic (a = 5.223 Å, b = 5.389 Å and c = 7.451 Å), and their cell volumes increased by...
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Influence of B/N co-doping on electrical and photoluminescence properties of CVD grown homoepitaxial diamond films
PublikacjaBoron doped diamond (BDD) has great potential in electrical, and electrochemical sensing applications. The growth parameters, substrates, and synthesis method play a vital role in the preparation of semiconducting BDD to metallic BDD. Doping of other elements along with boron (B) into diamond demonstrated improved efficacy of B doping and exceptional properties. In the present study, B and nitrogen (N) co-doped diamond has been...
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublikacjaWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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Conjectured strong complementary-correlations tradeoff
PublikacjaWe conjecture uncertainty relations that restrict correlations between the results of measurements performed by two separate parties on a shared quantum state. The first uncertainty relation bounds the sum of two mutual informations when one party measures a single observable and the other party measures one of two observables. The uncertainty relation does not follow from the Maassen-Uffink uncertainty relation and is much stronger...
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Topological, nonreciprocal, and multiresonant slow light beyond the time-bandwidth limit
PublikacjaTopologically protected transport has recently emerged as an effective means to address a recurring problem hampering the field of slow light for the past two decades: its keen sensitivity to disorders and structural imperfections. With it, there has been renewed interest in efforts to overcome the delay-time-bandwidth limitation usually characterizing slow-light devices, on occasion thought to be a fundamental limit. What exactly...
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Low-coherence sensors with nanolayers for biomedical sensing
PublikacjaIn this paper, we describe the fiber optic low-coherence sensors using thin film. We investigated their metrological parameters. Presented sensors were made with the use of standard telecommunication single mode optical fiber (SMF28). Different materials were applied to obtain thick layers, such as boron doped diamond, silver and gold. The thickness of layers used in the experiments ranged from 100 nm to 300 nm. Measurements were...
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RAMAN DIAGNOSTICS OF CVD DIAMOND GROWTH
PublikacjaDevelopment of Raman spectroscopic system for diagnostics of growth of diamond and BDD (Boron- Doped-Diamond) thin films during μPA CVD (Microwave Plasma Assisted Chemical Vapour Deposition) process is described. Raman studies of such films were carried out as in-situ monitoring of film deposition as ex-situ measurements conducted for a sample outside the reaction vessel after manufacturing process. Modular system for the in-situ...
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Interaction of SrTi0.65Fe0.35O3-δ with LaNi0.6Fe0.4O3-δ, La0.6Sr0.4Co0.2Fe0.8O3-δ and Ce0.8Gd0.2O2-δ
PublikacjaIron doped strontium titanates SrTi1-xFexO3-δ are perovskites of versatile properties. They can be used in solid oxide fuel cells or high temperature oxygen sensors. Their reactivity with electrolyte materials, cathode buffer layer materials, other cathode materials or current collector layers has not been fully tested. In this study we use X-ray diffraction to check SrTi0.65Fe0.35O3-δ compatibility with Ce0.8Gd0.2O2-δ (used as...
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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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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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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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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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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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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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A study of concentration depolarization and quenching of photoluminescence of solutions
PublikacjaThe concentration-dependence of emission anisotropy r/r0 and quantum yield eta/eta0 of the photoluminescence of glycerol-water solutions of rhodamine B in two systems of viscosities 7.4 P and 0.72 P is investigated. The experimental data are compared with the new theory of concentraticn depolarization (J. Lumin., 5, 413 (1972)) and concentration quenching of photoluminescence (Acta Phys. Hungar., 30, 145 (1972)), which takes...
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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...