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Search results for: ELECTRON NUMBER DENSITY
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Effect of Electron Beam Power Density on the Structure of Titanium Under Non-Vacuum Electron-Beam Treatment
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Mixed, quantum-classical description of electron density transfer in the collision process
PublicationIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a S3+- H system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schrödinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing detailed...
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Collective modes of the extended Hubbard model with negativeUand arbitrary electron density
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Surface area investigation of materials with transition layers of continuously changing electron density
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Two-electron entanglement in a two-dimensional isotropic harmonic trap: Radial correlation effects in the low density limit
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Spectroscopic study of atmospheric pressure 915 MHz microwave plasma at high argon flow rate
PublicationIn this paper results of optical emission spectroscopic (OES) study of atmospheric pressure microwave 915 MHz argon plasma are presented. The plasma was generated in microwave plasma source (MPS) cavity- resonant type. The aim of research was determination of electron excitation temperature Texc gas temperature Tg and electron number density ne. All experimental tests were performed with a gas flow rate of 100 and 200 l/min and...
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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
PublicationWe 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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Andrzej Okuniewski dr inż.
PeopleEducation 2010-2014: Department of Inorganic Chemistry, Faculty of Chemistry, Gdańsk University of TechnologyPhD in chemical sciences (chemical sciences - chemistry, inorganic chemistry) 2009-2010: Faculty of Chemistry, Gdańsk University of TechnologyMaster of Chemistry (applied chemistry) 2005-2009: Faculty of Chemistry, Gdańsk University of Technologychemical engineer (applied chemistry) 2002-2005: II High School Władysław Pniewski...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Origin and fate of nanoparticles in marine water – Preliminary results
PublicationThe number, morphology and elemental composition of nanoparticles (<100 nm) in marine water was investigated using Variable Pressure Scanning Electron Microscopy (VP-SEM) and Energy-dispersive X-ray spectroscopy (EDS). Preliminary research conducted in the Baltic Sea showed that the number of nanoparticles in seawater varied from undetectable to 380 (x102) cm-3. Wind mixing and density barriers (thermocline) had a significant impact...
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Evaluation of the content of zinc compounds in polyethylene films using scanning electron microscopy
Open Research DataThe dataset contains the results of in the form of micrographs made using a scanning electron microscope (SEM) S–3400N (Hitachi, Hyogo, Japan) using backscattered electron (BSE) detector. SEM was equipped with tungsten filament. The accelerating voltage was 25 kV. Utilization of BSE detector allowed to increase the contrast of local areas varying in...
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Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Supramolecular junctions of the PDA tetramers
Open Research DataIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Optimization of electrochemical doping approach resulting in highly photoactive iodine-doped titania nanotubes
PublicationThe paper focuses on the optimization procedure concerning the synthesis method resulting in highly ordered titania nanotubes doped with iodine atoms. The doping process was based on the electrochemical treatment of a titania nanotube layer immersed in a potassium iodide (KI) solution acting as an iodine precursor. A number of endeavors were undertaken in order to optimize the doping conditions. Electrolyte concentration, reaction...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Open Research DataThe 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 is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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A set of data constituting the basis for the publication entitled "Mitochondria dysfunction is one of the causes of diclofenac toxicity in the green alga Chlamydomonas reinhardtii"
Open Research DataNon-steroidal anti-inflammatory drugs (NSAIDs), such as diclofenac (DCF), form a significant group of environmental contaminants. When the toxic effects of DCF on plants are analyzed, authors often focus on photosynthesis, whilemitochondrial respiration is usually overlooked. Therefore, an in vivo investigation of plant mitochondria functioning under...
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SEM (scanning electron microscopy) and TEM (transmission electron microscopy) images of PMD and PMH
Open Research DataThese data contains SEM (scanning electron microscopy) and TEM (transmission electron microscopy) images of PMD and PMH. TEM was performed on a FEI Tecnai F30 transmission electron microscope operating at an acceleration voltage of 200 kV. SEM was done with a SEM, XL30ESEM-FEG with an acceleration voltage of 20 KV. Sample abbreviations (PMH, PMD) are...
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Electron energy-loss spectra of isoxazole
Open Research DataThe data set contains numeric values of electron energy-loss spectra measured in isoxazole in the excitation energy range 3.5−10 eV. The data have been published in graphical form (figure 3 and figure 4) in the following paper:Ireneusz Linert, Mariusz Zubek "Excited states of isoxazole molecules studied by electron energy-loss spectroscopy"Journal...
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Electron energy-loss spectra of pyridazine
Open Research DataThe data set contains numeric values of electron energy-loss spectra measured in pyridazine in the excitation energy range 2.5−10 eV. The data have been published in graphical form (figures 3 - 6) in the following paper:
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SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of nickel (Ni) foam as received, after photocatalysis and after oxidation at 500_C.
Open Research DataThis dataset contains SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of Ni (nickel) foam as received from the supplier, after photocatalytic treatment and after oxidation at 500C. The detailed equipment and measurement data was described in "readme SEM.txt" file
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Jednoelektronowy atom Diraca w słabym polu magnetycznym
PublicationW rozprawie przedstawiono opis wpływu zewnętrznego stałego, słabego, jednorodnego pola magnetycznego na jednoelektronowy atom Diraca. Wykorzystując funkcje gęstości ładunku elektrycznego oraz gęstości prądu elektrycznego, rozważono procesy indukowania się w atomie dodatkowych elektromagnetycznych momentów multipolowych. Dokonano analizy indukowanego momentu dipolowego, w wyniku której uzyskano wyrażenie dla magnetyzowalności atomu....
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The topography of various sialoliths by scanning electron microscopy
Open Research DataThis dataset contains SEM micrographs taken for salivary gland stones (sialolith) extracted during joint studies between the Medical University of Gdansk and Gdansk University of Technology. Three different types of stones were examined, as discussed in the article: 10.1111/odi.13708
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Paweł Możejko dr hab.
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research DataThe 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 is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Scanning Electron Microscopy images of nanocubes suspension 1 month after synthesis
Open Research DataThis dataset contains the SEM images of the gold nanocubes suspension in citrate buffer. The goal of the study was to evaluate the size of the synthesized nanocubes, their stability one month after the synthesis process, and to verify the optimal conditions regarding nanocubes concentration for the SEM analysis. Solutions with two different AuNC concentrations...
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The scanning electron microscopy (SEM) studies of low voltage copper cables
Open Research DataThe dataset contains the scanning electron microscopy (SEM) images of the low voltage copper cables, which were studied in the article discussing the regulatory requirements for checking the electrical resistance of such cables. The cables were cut and studies in cross-section. The full results were published in:
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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The Scanning Electron Microscopy images of three arthropods
Open Research DataThe dataset contains micrographs of various arthropods made with the Scanning Electron Microscopy (SEM) technique. The images were done during the laboratory with students from the Faculty of Chemistry. Among the studied species, there is a fruit fly (lat.Drosophila melanogaster), a spider (most likely Sibianor aurocinctus), and a weevil insect (Curculionoidea).
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Topography studies of multiple times processed poly(lactic acid)-carbon black composites
Open Research DataThis dataset contains topography studies with scanning electron microscope of commercially available ProtoPasta 3D printable filament, composed of poly-lactic acid (PLA) and conductive carbon black (CB) filler. The aim of the study is to observe structural differences and applied properties changes under multiple reprocessing of the composite material...
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Wpływ wybranych parametrów środowiska na przebieg degradacji rur okładzinowych ze stali P110
PublicationMateriały używane na orurowanie odwiertów w poszukiwaniu i wydobyciu ropy i gazu poddawane są niekorzystnym warunkom eksploatacji takich jak: podwyższona temperatura, wysokie ciśnienie, turbulentny przepływ korozyjnych cieczy z zawieszonymi cząstkami stałymi. Jednym z gatunków stali używanych do produkcji rur okładzinowych jest stal P110 (za normą API 5CT) będąca stalą średnio-węglową, niskostopową o wysokiej wytrzymałości. Celem...
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Scanning electron microscopy (SEM) images of the boron-dopied diamond surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of diamond electrodes on different substrates. The diamond surface is characterized by an aggregation of crystals that do not form a continuous layer.
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Scanning electron microscopy (SEM) images of the boron-dopied diamond surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of diamond electrodes on silicon substrates. The diamond surface is characterized by ultra-crystalline diamonds obtained by CVD synthesis.
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Scanning Electron Microscopy (SEM ) images of PC-X (porous carbon materials obtained at various temperatures)
Open Research DataThese data contain SEM (scanning electron microscopy) images of PC-700 (porous carbon materials obtained at 700°C), PC-800 (porous carbon materials obtained at 800°C) and PC-900 (porous carbon materials obtained at 900°C).
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Opposite pressure impact on electron-phonon coupling in Eu2+ and Ce3+ doped AlN
Open Research DataThis data analyzes the influence of pressure on electron–lattice interactions in the 5d excited states of Ce3+ and Eu2+ in the AlN host based on pressure-dependent photoluminescence and photoluminescence excitation spectra. High-pressure measurements on AlN samples doped with Eu2+ and Ce3+ ions reveal that the Stokes shift increases with pressure for...
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Scanning electron microscopy (SEM) images of the boron-doped carbon nanowalls surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of boron-doped carbon nanowalls electrodes on silicon substrates. The surface is characterized by nano-walled structures. The obtained electrodes were doped with boron at the level of [B]/[C] = 5000ppm in the gas atmosphere during the synthesis.
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Scanning electron microscopy (SEM) images of the boron-dopied carbon nanowalls surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of boron-doped carbon nanowalls electrodes on silicon substrates. The surface is characterized by nano-walled structures. The obtained electrodes were doped with boron at the level of [B]/[C] = 1200ppm in the gas atmosphere during the synthesis.
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Scanning electron microscopy (SEM) images of the boron-doped carbon nanowalls surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of boron-doped carbon nanowalls electrodes on silicon substrates. The surface is characterized by nano-walled structures. The obtained electrodes were doped with boron at the level of [B]/[C] = 2000ppm in the gas atmosphere during the synthesis.
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Poultry (chicken) manure biochar - Scanning Electrone Microscope (SEM) images
Open Research DataThis dataset contains scanning electron microscope images of poultry (chicken) manure biochars produced at different temperature conditions (400, 500, and 600 degrees Celsius). Imaging was carried out with an FEI Quanta FEG250 scanning electron microscope equipped with a SE-ETD detector (secondary electron - Everhart-Thornley detector) and a 20 kV accelerating...
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Open Research DataThe 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 is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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TEM (transmission electron microscopy) images and elemental mapping EDX (energy dispersive X-ray spectroscopy) of bulk boron and borophene obtained during ball milling
Open Research DataThese data contain TEM (transmission electron microscopy) images with corresponding elemental mapping EDX of bulk boron and borophene flakes after the ball-milling process (450 rpm, 6 h, 1 g). The data were collected to investigate the structure and morphology of the materials.
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The scanning electron microscopy (SEM) studies of heavy boron-doped diamond oxidation under high-temperature
Open Research DataThe dataset contains the results of scanning electron microscopy (SEM) images of heavy boron-doped diamond (BDD) electrodes subjected to high-temperature oxidation in a furnace at 600 Celsius. The micrographs reveal the material decomposition of BDD grains due to high temperature.
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Scanning Electrone Microscope images of biochar produced from straw and wood chips
Open Research DataThis dataset contains scanning electron microscope images of two types of biochars derived from waste plant biomass: straw and wood chips. Imaging was performed using a scanning electron microscope, FEI Quanta FEG250. with a SE-ETD detector (secondary electron – Everhart-Thornley detector), using 20 kV accelerating voltage.
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Borophene Chemical Vapar Depostion
Open Research DataThe presented dataset corresponds to a nickel boride-based bifunctional electrocatalyst for overall water splitting. Developing highly efficient and durable electrocatalysts is essential for advancing renewable energy solutions. In this study, a simple one-step chemical vapor deposition (CVD) method was employed to synthesize boron-containing derivatives...
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Images revealing the effect of local femtosecond laser ablation of conductive poly(lactic acid) 3D printed electrodes
Open Research DataThe dataset reveals the images of the femtosecond laser (FSL) ablation at the surface of commercially available carbon black-filled poly(lactic acid) 3D printed electrode. The process is used for the increase of the charge transfer of this electrode in electrochemical studies.
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SEM micrographs of boron-doped nanocrystalline diamond-carbon nanospikes
Open Research DataThis dataset contains the Scanning Electron Microscopy (SEM) micrographs taken for rich boron-doped carbon crystalline nanospikes/nanograss structures, at different magnifications, encoded in the labels of the images. The micrographs were made using Hitachi S-3400N SEM microscope in secondary electron mode under 20 kV accelerating voltage. No additional...