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Search results for: ELECTRONIC DEUSITY
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GRAPHENE-BASED SUPERCAPACITORS APPLICATION FOR ENERGY STORAGE
PublicationRecent advances in graphene-based supercapacitor technology for energy storage application were summarized. The comparison of different types of electrode materials in such supercapacitors was performed. The supercapacitors with graphene-based electrodes exhibit outstanding performance: high charge-discharge rate, high power density, high energy density and long cycle-life, what makes them suitable for various applications, e.g....
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Qualitative characteristics and comparison of volatile fraction of vodkas made from different botanical materials by comprehensive two-dimensional gas chromatography and the electronic nose based on the technology of ultra-fast gas chromatography
PublicationBACKGROUND Vodka is a spirit-based beverage made from ethyl alcohol of agricultural origin. At present, increasingly more vodka brands have labels that specify the botanical origin of the product. Until now, the techniques for distinguishing between vodkas of different botanical origin have been costly, time-consuming and insufficient for making a distinction between vodka produced from similar raw materials. Therefore, it is...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublicationTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Microstructure–Property Relationship of Polyurethane Foams Modified with Baltic Sea Biomass: Microcomputed Tomography vs. Scanning Electron Microscopy
PublicationIn this paper, novel rigid polyurethane foams modified with Baltic Sea biomass were compared with traditional petro-based polyurethane foam as reference sample. A special attention was focused on complex studies of microstructure, which was visualized and measured in 3D with high-resolution microcomputed tomography (microCT) and, as commonly applied for this purpose, scanning electron microscopy (SEM). The impact of pore volume,...
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Specificity of automatic control of micro-turbines (steam or gas -driven and expanders) in dispersed generation system of heat and electric power
PublicationThis paper presents specific problems of automatic control of steam micro-turbines and expanders intended for the dispersed, combined generating of heat and electric power. The investigations concern ensurance of certainty of energy supply and its required quality.
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Mathematical Modelling of Drive System with an Elastic Coupling Based on Formal Analogy between the Transmission Shaft and the Electric Transmission Line
PublicationIn the paper, the kinematic structure of the transmission shaft between the driving motor and the working mechanism is studied. The analysis is based on electrical and mechanical similarities. The equivalent circuits, typical for electrical systems, are defined for the transmission shaft concerned. Modelling of the transmission shaft based on a formal analogy between the transmission shaft and the electric transmission line is...
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Potential Skyrmion Host Fe(IO3)3: Connecting Stereoactive Lone-Pair Electron Effects to the Dzyaloshinskii-Moriya Interaction
PublicationMagnetic skyrmions, which are topologically distinct magnetic spin textures, are gaining increased attention for their unique physical properties and potential applications in spintronic devices. Here we present a design strategy for skyrmion host candidates based on combinations of magnetic spin, asymmetric building units having stereoactive lone-pair electrons, and polar lattice symmetry. To demonstrate the viability of the proposed...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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5-Thiocyanato-2′-deoxyuridine as a possible radiosensitizer: electron-induced formation of uracil-C5-thiyl radical and its dimerization
PublicationIn this work, we have synthesized 5-thiocyanato-2′-deoxyuridine (SCNdU) along with the C6-deuterated nucleobase 5-thiocyanatouracil (6-D-SCNU) and studied their reactions with radiation-produced electrons. ESR spectra in γ-irradiated nitrogen-saturated frozen homogeneous solutions (7.5 M LiCl in H2O or D2O) of these compounds show that electron-induced S–CN bond cleavage occurs to form a thiyl radical (dU-5-S˙ or 6-D-U-5-S˙) and...
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Exciton quenching in emitter blends for organic light emitting devices probed by electric field-dependent time-resolved luminescence
PublicationW pracy badano mechanizm wygaszania ekscytonów w układzie dwuamina TPD:organiczny kompleks Eu:matryca TPD przez pomiar zaniku fotoluminescencji w zewnętrznym polu elektrycznym.
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Microstructure–Property Relationship of Polyurethane Foams Modified with Baltic Sea Biomass: Microcomputed Tomography vs. Scanning Electron Microscopy
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New model simulations of the global atmospheric electric circuit driven by thunderstorms and electrified shower clouds: The roles of lightning and sprites
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Nanosecond pulsed electric fields (nsPEFs) impact and enhanced Photofrin II® delivery in photodynamic reaction in cancer and normal cells
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Transmembrane Transport and Anticancer Activity of Strontium Ranelate Delivered with Nanosecond Pulsed Electric Fields (nsPEFs) into Human Cells in Vitro
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Numerical Modeling of Hydrogen-Rich Gas Production From Gasoline Autothermal Reforming in a Plug Flow Reactor for Electric Vehicles
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Plasma diagnostics of low pressure high power impulse magnetron sputtering assisted by electron cyclotron wave resonance plasma
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Studies of Optimal Conditions for Depletion of the $^{110m}$Ag Isomer Via Nuclear Excitation by Electron Capture in a Beam-based Scenario
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Continuous three-dimensional radiation dosimetry in tissue-equivalent phantoms using electron paramagnetic resonance in L -α-alanine
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Analysis of pesticide residues in fruits and vegetables using QuEChERS sample preparation method and gas chromatography with electron capture detection
PublicationPesticides are a numerous and diverse group of chemical compounds. They are some of the most toxic substances contaminating the environment, which are used to eliminate pests in agriculture and the household. Despite considerable progress in the development of methods for preparing samples for analysis and for the final determination of analytes, the analysis of pesticides in biological samples continues to present challenges to...
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<title>Measurements of SIMCON 3.1 LLRF control signal processing quality for VUV free-electron laser FLASH</title>
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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part II: functional blocks</title>
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<title>SIMCON 3.0 eight channel FPGA-based cavity simulator and controller for VUV free-electron laser</title>
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Thermoluminescence glow curves and deconvoluted glow peaks of Ge doped flat fibers at ultra-high doses of electron radiation
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Integration of Fuzzy AHP and Fuzzy TOPSIS Methods for Wire Electric Discharge Machining of Titanium (Ti6Al4V) Alloy Using RSM
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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Modeling the impact of discretizing rotor angular position on computation of field-oriented current components in high speed electric drives
PublicationModern drives consist of alternating current electric motors, and the field-oriented control (FOC) of such motors enables fast, precise, and robust regulation of a drive's mechanical variables such as torque, speed, and position. The control algorithm, implemented in a microprocessor, requires feedback from motor currents, and the quality of this feedback is essential to a drive's control properties. Motor phase currents are sampled...
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Model studies to identify input parameters of an algorithm controlling electric supply/consumption process by underground iron ore enterprises
PublicationPurpose is the development of the research format of a mathematical model to select and assess input parameters of an algorithm controlling distribution of electric energy flows in the monitoring structure of electricity supply/ consumption by using equipment of mining enterprises engaged in underground iron ore raw materials extraction. Methods. The analytical research involved a theory of random processes adapted to the real...
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Tuning of eg electron occupancy of MnCo2O4 spinel for oxygen evolution reaction by partial substitution of Co by Fe at octahedral sites
PublicationTo study the effect of partial Co substitution by Fe in the B site of MnCo2O4 spinel on its physicochemical and electrochemical properties, a series of MnCo2-xFexO4 powders (x=0.125; 0.250; 0.500; 0.750; 1.000) were synthesized by means of the sol-gel method. The produced powders were characterized by powder X ray diffraction (pXRD), scanning and transmission electron microscopy (SEM & TEM) coupled with energy dispersive spectroscopy...
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Vibrational inelastic electron-H2 scattering revisited: numerically converged coupled channels space frame calculations with model interaction
PublicationZderzeniowe wzbudzenie niższych oscylacyjnych poziomów molekuły H2 (^1Σ^+,g) przez elektrony o niskiej energii. Obliczenia wykonano przy użyciu empirycznego modelowego potencjału oraz przez rozwiązanie równania rozpraszania dwukanałowego w układzie współrzędnych, związanych z molekułą.
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Napięcia zakłóceń w obwodach łączników półprzewodnikowych. III Krajowe Sympozjum Kompatybilność Elektromagnetyczna w Elektrotechnice i Elektronice, EMC´03.
PublicationW artykule została przedstawiona metoda określania napięć zakłóceń powstających w wyniku zaburzeń powodowanych pracą łączników półprzewodnikowych. Podstawą opracowanej metody jest założenie, że napięcia określone są przy użyciu układu pomiarowego o znormalizowanych parametrach.
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Magnetic field effects in dye-sensitized and organic solar cells
PublicationThe 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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Hybrid battery based on arylated carbon nanotubes and laccase
PublicationSingle-walled carbon nanotubes (SWCNT) were covalently modified with anthracene and anthraquinone and used for the construction of cathodes for biocatalytic reduction of dioxygen. The nanotubes with aromatic groups casted onto the electrode increased the working surface of the electrode and enabled efficient direct electron transfer (DET) between the enzyme and the electrode. The aryl groups enter the hydrophobic pocket of the...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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UV-induced electron transfer between triethylamine and 5-bromo-2′-deoxyuridine. A puzzle concerning the photochemical debromination of labeled DNA
Publication5-Bromo-2'-deoxyuridine (BrdU) photosensitizes DNA to strand break formation. However, this type of photodamage is completely quenched by the presence of triethylamine (TEA) which originates from RP-HPLC purification commonly employed by oligonucleotide providers. While the presence of TEA in oligonucleotide samples does not interfere with PCR or other molecular biology applications, the mechanism of photochemical reaction proceeding...
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Electric transport in organic system with planar DBP/F16ZnPc junction on the basis of direct current and small signal admittance spectra analysis
PublicationThe objective of this work was to determine electric transport in the organic device based on a planar junction of electron donor and electron acceptor materials, namely ITO/MoO3/DBP/F16ZnPc/BCP/Ag. The analysis reported herein was based on direct current-voltage measurements and small-signal admittance spectra in the dark and under illumination. Such analysis may provide information on potential barriers, parasitic resistances...
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Destructiveness of Profits and Outlays Associated with Operation of Offshore Wind Electric Power Plant. Part 1: Identification of a Model and its Components
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How to determine whether an electron transfer channel is type-II or S-scheme in g–C3N4–based photocatalysts? A critical review
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Differential cross section for electron impact excitation of the a1 δ g state of molecular oxygen in the 15-180° angular range.
PublicationZmierzono absolutne różniczkowe przekroje czynne na wzbudzeniu drobin tlenu do poziomu oscylacyjnego v=0 stanu a1 δ g. Pomiary wykonano dla energii elektronów równej 10eV w zakresie kątów rozproszenia od 15° do 180°.
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part I: algorithms and SIMCON system</title>
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Interaction of Ionomers and Polyelectrolytes with Divalent Transition Metal Cations (Cu2+ and VO2+): A Study by Electron Spin Resonance (ESR) Spectroscopy and Viscosimetry
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The Only Stable State of O2- Is the X 2Πg Ground State and It (Still!) Has an Adiabatic Electron Detachment Energy of 0.45 eV
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Application of Generalized Regression Neural Network and Gaussian Process Regression for Modelling Hybrid Micro-Electric Discharge Machining: A Comparative Study
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The issue of uncertainty of visual measurement techniques for long distance measurements based on the example of applying electric traction elements in diagnostics and monitoring
PublicationRail transport is the most economical and energy-effective in the field of land transport, in particular electrified. In order to ensure efficient and reliable operation of electrified rail transport, the issues of monitoring and diagnostics of the traction infrastructure and vehicles are extremely important. The most critical point in the transmission of electric energy to the vehicle is the sliding contact of the current collector...
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Cross-sections for electron-scattering from 2-methyl-1-buten-3-yne, C 5 H 6 , molecules
PublicationtCross-sections for electron collisions with the 2-methyl-1-buten-3-yne [H2C C(CH3)C CH] moleculewere measured and calculated. Absolute grand-total electron-scattering cross-section (TCS) was takenat impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The TCS energydependence for the electron–C5H6collision has two prominent enhancements separated with a deepminimum located near 1.8 eV. In addition,...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Enhancing chain-elongating microbiomes: Sequential fungi-bacteria cooperation for efficient food waste upgrading using endogenous electron donors
PublicationThe upgrading of organic waste such as food waste (FW) into medium-chain carboxylates (MCC) is within a bio-based circular economy concept. An efficient chain elongation (CE) microbiome is difficult to obtain, which normally requires long-term acclimatization and an exogenous supplement of electron donor (ED, especially ethanol). In this study, the CE microbiome was rapidly shaped within 18 days and an efficient endogenous ethanol-based...
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Energy Management for PV Powered Hybrid Storage System in Electric Vehicles Using Artificial Neural Network and Aquila Optimizer Algorithm
PublicationIn an electric vehicle (EV), using more than one energy source often provides a safe ride without concerns about range. EVs are powered by photovoltaic (PV), battery, and ultracapacitor (UC) systems. The overall results of this arrangement are an increase in travel distance; a reduction in battery size; improved reaction, especially under overload; and an extension of battery life. Improved results allow the energy to be used efficiently,...