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Similarities and differences in d6 low-spin ruthenium, rhodium and iridium half-sandwich complexes: synthesis, structure, cytotoxicity and interaction with biological targets
PublikacjaIn this paper, we discussed the similarities and diferences in d6 low-spin half-sandwich ruthenium, rhodium and iridium complexes containing 2,2′-biimidazole (H2biim). Three new complexes, {[RuCl(H2biim)(η6 -p-cymene)]PF6}2·H2O (1), [(η5 - Cp)RhCl(H2biim)]PF6 (2), and [(η5 -Cp)IrCl(H2biim)]PF6 (3), were fully characterized by CHN, X-ray difraction analysis, UV–Vis, FTIR, and 1 H, 13C and 15N NMR spectroscopies. The complexes exhibit...
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ID and 2D Electron Spin Resonance Imaging (ESRI) of Nitroxide Radicals in Stabilized Poly(acrylonitrile−butadiene−styrene) (ABS): UV vs Thermal Degradation
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublikacjaParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...
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Evidence of Ligand Elasticity Occurring in Temperature-, Light-, and Pressure-Induced Spin Crossover in 1D Coordination Polymers [Fe(3ditz)3]X2(X = ClO4-, BF4-)
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Modulation of the FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligands
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Marek Czachor prof. dr hab.
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Study of the Effect of Filling Thermoplastic Medical Polyurethane with PVA, PLA or Diatomite on the Relaxation Times Distributions of 1H NMR
PublikacjaIn this work, to characterize the mobility of diferent sections of the macromole‑ cules of polyurethane (PUR), polyvinyl alcohol (PVA), and polylactic acid (PLA), as well as the density of crosslinks of the polymer chains when using fllers, we used the distributions of spin–lattice and spin–spin relaxation times for the protons. It is shown that the rigidity of the thermoplastic polymers depends on the sizes of the granules of...
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Study of Aliphatic Polyurethanes by the Low-Field 1H NMR Relaxometry Method with the Inversion of the Integral Transformation
PublikacjaIn this paper, the distributions of the 1H nuclear magnetic resonance (NMR) spin–lattice and spin–spin relaxation times are used to characterize the mobility of different sections of macromolecules of aliphatic polyurethanes and the cross-linking density of polymer chains. The NMR relaxometry method with inversion of integral transformation is applied to study the effect of poly (ethylene glycol) and glycerol phosphate calcium...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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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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Evidence for SrHo2O4 and SrDy2O4 as model J1- J2 zigzag chain materials
PublikacjaNeutron diffraction and inelastic spectroscopy is used to characterize the magnetic Hamiltonian of SrHo2O4 and SrDy2O4. Through a detailed computation of the crystal-field levels we find site-dependent anisotropic single-ion magnetism in both materials, and diffraction measurements show the presence of strong one-dimensional spin correlations.Our measurements indicate that competing interactions of the zigzag chain, combinedwith...
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Ln2(SeO3)2(SO4)(H2O)2 (Ln=Sm, Dy, Yb): A Mixed‐Ligand Pathway to New Lanthanide(III) Multifunctional Materials Featuring Nonlinear Optical and Magnetic Anisotropy Properties
PublikacjaBottom-up assembly of optically nonlinear and magnetically anisotropic lanthanide materials involving precisely placed spin carriers and optimized metal-ligand coordination offers a potential route to developing electronic architectures for coherent radiation generation and spin-based technologies, but the chemical design historically has been extremely hard to achieve. To address this, we developed a worthwhile avenue for creating...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublikacjaNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublikacjaWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
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Monitoring of the Process of System Information Broadcasting in Time
PublikacjaOne of the problems of quantum physics is how a measurement turns quantum, noncopyable data, towards copyable classical knowledge. We use the quantum state discrimination in a central system model to show how its evolution leads to the broadcasting of the information, and how orthogonalization and decoherence factors allow us to monitor the distance of the state in question to the one perfectly broadcasting information, in any...
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Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublikacjaThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
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Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics
PublikacjaThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...
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Deposition and growth of thin ceramic films
Publikacja: Thin ceramic films play an important role in modern technology. One of the more utilized methods of deposition of ceramic films is spin coating. In this paper we investigate optimal deposition parameters for LaNi0.6Fe0.4O3−δ thin layers spin coated from a polymeric precursor. The quality of the obtained layers is checked using scanning electron microscopy. Additionally, we investigate the growth of grains in ceramic films annealed at...
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Tuning of High Spin Ground State and Slow Magnetic Relaxation within Trimetallic Cyanide‐Bridged {Ni II x Co II 9− x [W V (CN) 8 ] 6 } and {Mn II x Co II 9− x [W V (CN) 8 ] 6 } Clusters
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Frontispiece: Tuning of High Spin Ground State and Slow Magnetic Relaxation within Trimetallic Cyanide‐Bridged {Ni II x Co II 9− x [W V (CN) 8 ] 6 } and {Mn II x Co II 9− x [W V (CN) 8 ] 6 } Clusters
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Uczelnie jako generatory wiedzy
PublikacjaW opracowaniu zaproponowano dwa warianty rozwoju uczelni. Pierwszy to ewolucja w kierunku modelu uniwersytetu przedsiębiorczego Clarka, którego elementy są realizowane w niektórych uniwersytetach. Wymaga to przede wszystkim wzmocnienia roli rektora i zmniejszenia znaczenia ciał kolegialnych oraz zapisów ustawowych sprzyjających tworzeniu firm typu spin out i spin up. Drugi to wariant dalej idący ewolucji uczelni w kierunku modelu...
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Quasirelativistic potential energy curves of NaRb dimer
Dane BadawczeThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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Magnetic field effects in dye-sensitized solar cells controlled by different cell architecture
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. In this work, we propose a detailed mechanism of photocurrent generation in dye-sensitized solar cells (DSSCs) examined by magnetic field effect (MFE) technique. Here we demonstrate that the magnitude of the MFE on photocurrent in DSSCs can be controlled by the radius and...
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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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A DSC and NMR-Relaxation study of the molecular mobility of water protons interacting with chemically modified starches
PublikacjaChanges in the mobility of water protons in the chemically modified starches (CMS)–water system are studied by differential scanning calorimetry and NMR relaxation. The amounts of unfrozen water at negative temperatures and additional (after gelation) unfrozen for CMS are lower than those for native starch. The proton spin–spin relaxation time T2 for CMS samples, conventionally attributed to the water fraction in starch granules,...
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Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe
PublikacjaThe B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and 59Co nuclear magnetic resonance (NMR).We observed a phase transition at TQ = 13.7 K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin (T −1 2 ) and spin-lattice (T −1 1 ) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent...
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Reply to Comment on ‘Nanodiamond incorporated human liver mimicking phantoms: prospective calibration medium of magnetic resonance imaging’
PublikacjaDependence of the spin–lattice (T1) relaxation times on the nanodiamond concentration in human liver phantoms is discussed. Factors affecting stability and and reproducibility of these phantoms are presented. The need for comparative measurements on multiple MRI scanners for better understanding of potential variations in the obtained imaging data is emphasised.
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublikacjaThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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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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Molecular mobility of water protons under interaction with chemically modified starches. DSC and HMR-relaxation investigations
PublikacjaThe change of water protons mobility in the system chemically modified starches – water were investigated by DSC and NMR-relaxation methods. The amount of unfrozen water at subzero temperature as well as additional unfrozen water which appears after gelatinization have lower values for chemically modified starches in comparison with the native starch. The proton spin-spin relaxation time Т2 for chemically modified starch samples,...
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Electronic structure of PrBa2Cu3O7 after high-pressure compressionfrom first principles
PublikacjaW pracy zbadano wpływ ściskania wysokociśnieniowego (P=9GPa) na elektronową strukturę pasmową, rozkład ładunku i momenty magnetyczne w pełni utlenionego stechiometrycznego układu PrBa2Cu3O7. Zaobserwowano następujące zmiany wywołane ściskaniem: (1) zmniejszoną gęstość stanów (DOS) na poziomie Fermiego Ef, (2) zwiększona różnicę pomiędzy wartościami DOS dla stanów "spin-up" i "spin-down" w najbliższym otoczeniu Ef, (3) zmniejszone...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublikacjaElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Depth XPS profile of vanadium pentoxide
Dane BadawczeVanadium pentoxide sample was manufactured by sol-gel method and deposited on a substrate by spin coating technique. To determine depth profile of chemical composition of thin film, etching by Argon ion gun was used. Thin film was etched three times. Chemical composition was measured by XPS method.
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Impedance spectroscopy of the lithium titanate doped by copper thin films
Dane BadawczeLithium titanate doped by copper thin films were derived by sol-gel method. Prepared gel was deposited by spin-coating technique. Samples with various content of Cu were measured by impedance spectroscopy method in a wide range of temperature, from -120 up to 150 deg.
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Spinon excitations in the quasi-one-dimensional S=12 chain compound Cs4CuSb2Cl12
PublikacjaThe spin−1/2 Heisenberg antiferromagnetic chain is ideal for realizing one of the simplest gapless quantum spin liquids (QSLs), supporting a many-body ground state whose elementary excitations are fractional fermionic excitations called spinons. Here we report the discovery of such a one-dimensional (1D) QSL in Cs4CuSb2Cl12. Compared to previously reported S=1/2 1D chains, this material possesses a wider temperature range over...
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Optical measurements of LTO:Cu sol-gel derived thin films
Dane BadawczeLithium titanate doped by copper thin films were manufactured by chemical, sol-gel method. Flms were deposited on a Corning glass substrated by spin coater. To calculated optical band gap and other optcal parameters, UV-VIS spectroscopy measurements were performed. For measurements selected samples with various content of Cu.
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Morphology of the sol-gel derived LTO:Cu films
Dane BadawczeMorphology of the lithium titanate doped by Cu thin films were investigated by SEM microscope. Films were deposited by spin-coater from sol-gel derived sol. SEM images showed a high porous structure, tipaciall for sol-gel based films. For measurements samples with a various content of Cu were selected.
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Superconductivity in the Cu(Ir1-xPtx)2Se4 spinel
PublikacjaWe report the observation of superconductivity in the CuIr2Se4 spinel induced by partial substitution of Pt for Ir. The optimal doping level for superconductivity in Cu(Ir1-xPtx )2Se4 is x = 0.2, where Tc is 1.76 K. A superconducting Tc vs composition dome is established between the metallic, normal conductor CuIr2Se4 and semiconducting CuIrPtSe4. Electronic structure calculations show that the optimal Tc occurs near the electron count...
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Application of the Heavy-Atom Effect for (Sub)microsecond Thermally Activated Delayed Fluorescence and an All-Organic Light-Emitting Device with Low-Efficiency Roll-off
PublikacjaThefeatureof abundantandenvironmentallyfriendlyheavyatoms(HAs)like bromineto acceleratespin-forbiddentransitionsin organicmoleculeshas beenknownforyears.In combinationwiththe easinessof incorporation,brominederivativesof organicemittersshowingthermallyactivateddelayedfluorescence(TADF)emergeas a cheapand efficientsolutionforthe slowreverseintersystemcrossing(rISC)problemin suchemittersand strongefficiencyroll-offof all-organiclight-emittingdiodes(OLEDs).Here,we...
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Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 ( M = Sr, Ba)
PublikacjaIntermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tunabilty makes them suitable platforms to realize targeted electronic properties starting from the symmetries hidden in their unit cell. Here, we investigate the family of the recently discovered intermetallics MCo2Al9 (M=Sr, Ba) and we unveil their electronic structure....
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Time reversal invariant single-gap superconductivity with upper critical field larger than the Pauli limit in NbIr2B2
PublikacjaRecently, compounds with noncentrosymmetric crystal structure have attracted much attention for providing a rich playground in search for unconventional superconductivity. NbIr2B2 is a new member to this class of materials harboring superconductivity below Tc = 7.3(2) K and a very high upper critical field that exceeds Pauli limit. Here we report on muon spin rotation (μSR) experiments probing the temperature and field dependence...
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Bell-Type Inequalities from the Perspective of Non-Newtonian Calculus
PublikacjaA class of quantum probabilities is reformulated in terms of non-Newtonian calculus and projective arithmetic. The model generalizes spin-1/2 singlet state probabilities discussed in Czachor (Acta Physica Polonica:139 70–83, 2021) to arbitrary spins s. For s → ∞ the formalism reduces to ordinary arithmetic and calculus. Accordingly, the limit “non-Newtonian to Newtonian” becomes analogous to the classical limit of a quantum theory
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublikacjaCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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Magnetic field effects in dye-sensitized and organic solar cells
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Spectroscopic properties of Rhodamine B entrapped in hybrid porous nanolayers at high dye concentration
PublikacjaThe preparation procedure and characterization of Rhodamine B entrapped in zirconia, silica and mixed silica–zirconia nanolayers is described. The nanolayers were produced by the sol–gel spin-coating technique. The pronounced effect of the dye concentration on the absorption and fluorescence spectra as well as on time-resolved fluorescence spectra was found. The results show that the aggregation of Rhodamine B is stronger in silica...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Sharp transitions in low-number quantum dots Bayesian magnetometry
PublikacjaWe consider Bayesian estimate of static magnetic field, characterized by a prior Gaussian probability distribution, in systems of a few electron quantum dot spins interacting with infinite temperature spin environment via hyperfine interaction. Sudden transitions among optimal states and measurements are observed. Usefulness of measuring occupation levels is shown for all times of the evolution, together with the role of entanglement...
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Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects
PublikacjaSuperconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds, the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin–orbit coupling on the electron–phonon coupling, we suggest a possible...
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Warstwy funkcjonalne tlenkowych ogniw paliwowych
PublikacjaIn this paper, results describing current research on solid oxide fuel cells conducted at Gdańsk University of Technology, Faculty of Electronics, Telecommunications and Informatics are presented. The results are related to three kinds of functional layers: a thin cathode layer between the porous cathode layer and the electrolyte to improve the cathode performance, a buffer layer between the electrolyte and the cathode to slow...
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Synthesis and photoelectrochemical behaviour of hydrogenated titania nanotubes modified with conducting polymer infiltrated by redox active network
PublikacjaIn this work, we show preparation of ordered inorganic-organic composite electrode material where hydrogenated titania nanotubes H-TiO2 with tubularly developed surface modified with poly(3,4-ethylenedioxythiophene) matrix permeated by Prussian Blue (PB) inorganic redox network in order to reach highly photoactive heterojunction. The polymer deposition was realized via two subsequent processes covering: i) potentiostatic polymerization...