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Wyniki wyszukiwania dla: ELECTRICAL ENERGY,ELECTRODES,MATHEMATICAL METHODS,MOLECULES,NONCOVALENT INTERACTIONS
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Modelling of energy flow in electrical machines. A bond graph approach
PublikacjaPrzedstawiono w ujęcia grafów wiązań model przepływu energii/mocy w maszynach elektrycznych pracujących w hybrydowych systemach przetwarzania energii. Jako przykład do rozważań przyjęto system napędu trakcyjnego pojazdów hybrydowych.
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Demand determination for electrical energy for trailing suction hopper dredgers
PublikacjaPrzedstawiono metodę określania obciążeń elektrowni w typowych stanach eksploatacji pogłębiarki ssącej nasiębiernej. Przedstawiono sposób określania średniego zapotrzebowania energii elektrycznej i jego odchylenia standardowego. Wykorzystano dane dokumentacji projektowych 10 pogłębiarek ssących nasiębiernych oraz wyniki badań eksploatacyjnych pogłębiarek zawarte w bazie danych DRAGA.
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Silicon Oxycarbide-Graphite Electrodes for High-Power Energy Storage Devices
PublikacjaHerein we present a study on polymer-derived silicon oxycarbide (SiOC)/graphite composites for a potential application as an electrode in high power energy storage devices, such as Lithium-Ion Capacitor (LIC). The composites were processed using high power ultrasound-assisted sol-gel synthesis followed by pyrolysis. The intensive sonication enhances gelation and drying process, improving the homogenous distribution of the graphitic...
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Thermal, electrical, and magnetic properties of Fe2O3–PbO–SiO2 glass prepared by traditional melt-quenching and twin roller fast-cooling methods
PublikacjaIn this study, Fe–Pb–Si oxide glasses containing between 12.5 and 17.5 mol% Fe2O3 were prepared using two different methods comprising traditional melt-quenching and twin roller fast-cooling techniques. The topography and structure of the materials obtained were characterized by X-ray powder diffraction and scanning electron microscopy. All of the materials were found to be amorphous. The topography of most of the glasses comprised...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Geometric methods in dynamical systems modelling: electrical, mechanical and control systems
PublikacjaRozważono zagadnienia modelowania systemów dynamicznych z zastosowaniem metod geometrii różniczkowej. Równania dynamiczne otrzymano w postaci inkluzji różniczkowych. Przestrzenie konstytucyjne przyjęto w postaci subwiązek włóknistych. Rozważono przestrzenie konstytucyjne układów elektrycznych, układów mechanicznych i układów sterowania. Podstawowe wyniki pracy dotyczą struktury przestrzeni rozwiązań rozważanych systemów.
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Fragmentation of isoxazole molecules by electron impact in the energy range 10-85 eV
PublikacjaBadano fragmentację cząsteczek isoxazolu w zderzeniach z elektronami metodą wzbudzenia optycznego. Obserwowano linie wzbudzonego wodoru z serii Balmera oraz pasma emisyjne fragmentów CH oraz CN. Zmierzono bezwzględne wartości emisyjnych przekrojów czynnych.
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Influence of diffusion on nonradiative energy transfer between FMN molecules in aqueous solution
PublikacjaZmierzono zależności wydajności kwantowej roztworów wodnych FMN w zakresie koncentracji od 6,31x10^-5 do 1,8x10^-2 M w temperaturach 298,2 i 323,9 K. Otrzymane wyniki porównano z analogicznymi, uzyskanymi teoretycznie na podstawie modelu nie biorącego i biorącego pod uwagę dyfuzję molekuł fluoroforu. Porównanie wykazuje, że dla badanych roztworów dyfuzja nie może być pominięta, oraz, że dla uzyskania zgodności otrzymanych wyników...
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The Possibility to use a Nuclear Power Plant as a Source of Electrical Energy and Heat
PublikacjaIn this article issues concernig the possibility of nuclear power plant (NPP) operation also as a source of heat, which means combined heat and power production, have been described. CHP work is possible and profitable only in those areas where high thermal power demand occurs, which means near city agglomerations such as Warsaw or the Tri-City. Two levels of thermal power delivered to the heating system have been considered. Preliminary...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublikacjaMonitoring of dioxygen levels is of utmost importance from the view-point of life processes, medical diagnostics, nutrition and chemical industries. In all these measurements both low and high levels of this element are important. The common methods for the determination of dioxygen are the Winkler method, Clark electrode and pulsoxymeters. A new, already strong field of research can be now recognized – the development of miniaturized...
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Triplet energy exchange between fluorescent and phosphorescent organic molecules in a solid state matrix.
PublikacjaW pracy przedstawiono model wymiany energii trypletów na podstawie mechanizmu Dextera i zweryfikowano go w układzie dwuamina TPD : organiczny komleks Ir(ppy)3: matryca poliwęglanowa, mierząc czasy życia emisji Ir(ppy)3 przy różnych koncentracjach molekuł TPD.
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublikacjaSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Electrical energy generation in photovoltaic systems installed in North Poland : problems and possibilities
PublikacjaCelem analizy było określenie potencjalnych możliwości generowania energii elektrycznej za pomocą modułów fotowoltaicznych w warunkach geograficznych Polski Północnej poprzez: obliczenie energii padającego promieniowania słonecznego w roku pomiarowym dla miasta Gdańska oraz wyznaczenie ilości energii elektrycznej, jaką można uzyskać przy pomocy instalacji modułów fotowoltaicznych z monokrystalicznego i polikrystalicznego krzemu.
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Green`s function methods for Mathematical modeling of unidirectional diffusion process in isothermal metals bonding process
PublikacjaPodano wykorzystanie funkcji Greena w rozwiązaniu matematycznego modelu dyfuzji jednowymiarowej podczas izotermicznego łączenia metali.
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The use of a static electrical energy meter as a transducer of active power to a pulse frequency signal
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Cross-border transmission line configuration influence on the electrical power and energy billing process
PublikacjaIn 2015 a connection between the Polish and Lithuanian power systems become fully operational. The connection consists of a 400 kV double circuit transmission line and a back-to-back HVDC substation located on the Lithuanian side. A magnetic couplings between the circuits of the transmission line cause that during power transmission a different values of active power losses are observed in both circuits. This situation may cause...
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Influence of conductive carbon and MnCo2O4 on morphological and electrical properties of hydrogels for electrochemical energy conversion
PublikacjaIn this work, a strategy for one-stage synthesis of polymer composites based on PNIPAAm hydrogel was presented. Both conductive particles in the form of conductive carbon black (cCB) and MnCo2O4 (MCO) spinel particles were suspended in the three-dimensional structure of the hydrogel. The MCO particles in the resulting hydrogel composite acted as an electrocatalyst in the oxygen evolution reaction. Morphological studies confirmed...
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Aeration Process in Bioreactors as the Main Energy Consumer in a Wastewater Treatment Plant. Review of Solutions and Methods of Process Optimization
PublikacjaDue to the key role of the biological decomposition process of organic compounds in wastewater treatment, a very important thing is appropriate aeration of activated sludge, because microorganisms have to be supplied with an appropriate amount of oxygen. Aeration is one of the most energy-consuming processes in the conventional activated sludge systems of wastewater treatment technology (may consume from 50% to 90% of electricity...
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Determination of Odour Interactions in Gaseous Mixtures Using Electronic Nose Methods with Artificial Neural Networks
PublikacjaThis paper presents application of an electronic nose prototype comprised of eight sensors, five TGS-type sensors, two electrochemical sensors and one PID-type sensor, to identify odour interaction phenomenon in two-, three-, four- and five-component odorous mixtures. Typical chemical compounds, such as toluene, acetone, triethylamine, α-pinene and n-butanol, present near municipal landfills and sewage treatment plants were subjected...
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Maximizing Bio-Hydrogen and Energy Yields Obtained in a Self-Fermented Anaerobic Bioreactor by Screening of Different Sewage Sludge Pretreatment Methods
PublikacjaEgypt faces significant challenges in managing its sewage sludge generated in large quantities from wastewater treatment plants. This study investigates the feasibility of utilizing sewage sludge as a renewable resource for hydrogen production through anaerobic digestion at the 100 L bioreactor level. Hydrogen is considered a promising alternative energy source due to its high energy content and environmental benefits. To optimize...
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Review of Methods for Diagnosing the Degradation Process in Power Units Cooperating with Renewable Energy Sources Using Artificial Intelligence
PublikacjaThis work is based on a literature review (191). It mainly refers to two diagnostic methods based on artificial intelligence. This review presents new possibilities for using genetic algorithms (GAs) for diagnostic purposes in power plants transitioning to cooperation with renewable energy sources (RESs). The genetic method is rarely used directly in the modeling of thermal-flow analysis. However, this assignment proves that the...
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Structure and electrical properties of ceramic proton conductors obtained with molten-salt and solid-state synthesis methods
PublikacjaPublikacja omawia wyniki badań niobanu lantanu domieszkowanego akceptorowo pod kątem właściwości elektrycznych i strukturalnych.
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Recent advances of selected passive heat transfer intensification methods for phase change material-based latent heat energy storage units: A review
PublikacjaThe following article overviews recent studies regarding heat transfer enhancement methods, explicitly focusing on fins and coils utilization, in phase change material-based latent heat thermal energy storage systems. It discusses the influence of various geometrical and material parameters on the melting and solidification processes, as well as the orientation of the heat transfer surface within the storage tank. Additionally,...
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An analysis of the possibilities of increasing the production of electrical energy during the summer season by heat-generation back pressure turbine power units.
PublikacjaZbadano możliwości podniesienia mocy elektrycznej produkowanej przez przeciwprężne bloki ciepłownicze w sezonie letnim. Zbadano jedną z możliwości polegającą na dochładzaniu wody sieciowej powracającej z aglomeracji miejskiej. Zwrócono uwagę na aspekty techniczne, ekonomiczne i ekologiczne rozważanego rozwiązania.
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublikacjaWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Application of multivariate mathematical-statistical methods to compare reversed-phase thin-layer and liquid chromatographic behaviour of tetrazolium salts in Quantitative Structure-Retention Relationships (QSRR) studies
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Energy conversion in systems-contained laser irradiated metallic nanoparticles - comparison of results from analytical solutions and numerical methods
PublikacjaThis work introduces the theoretical method of metallic nanoparticles’ (NPs’) heat and mass transfer where the particles are coated on a surface (base), together with considering the case wherein nanoparticles move freely in a pipe. In order to simulate the heat transfer, energy and radiative transfer equations are adjusted to the considered issue. NPs’ properties are determined following the nanofluidic theories, whereas absorption...
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublikacjaPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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Using Deep Neural Network Methods for Forecasting Energy Productivity Based on Comparison of Simulation and DNN Results for Central Poland—Swietokrzyskie Voivodeship
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Using Deep Neural Network Methods for Forecasting Energy Productivity Based on Comparison of Simulation and DNN Results for Central Poland – Swietokrzyskie Voivodeship
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublikacjaDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Induced-fit binding of laccase to gold and carbon electrodes for the biological fuel cell applications
PublikacjaAnalogues of laccase natural substrates (syringic, veratric, ferulic, vanillic, isovanillic, 3,5-dimethoxybenzoic aldehydes) were employed to bind and orient laccase molecules in a way which facilitates adsorption of the catalyst molecules and their electrical connection with the conductive support. Laccase was bound efficiently to these substrates both on gold and carbon electrodes forming, respectively, 2D and 3D films sensitive...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublikacjaHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Temperature distribution of supercapacitors prepared by various technologies
PublikacjaSupercapacitors, also known by different names such as electrostatic double-layer capacitors (EDLCs) or ultra-capacitors, are electrical storage devices still in development. These devices require fast and reliable methods of assessing their state-of-health. Thermographic imaging is a method which can be applied with this aim due to its popularity, and the high negative impact of overheating on a supercapacitor’s parameters. Moreover,...
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GRAPHENE-BASED SUPERCAPACITORS APPLICATION FOR ENERGY STORAGE
PublikacjaRecent 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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Enhanced susceptibility of SARS-CoV-2 spike RBD protein assay targeted by cellular receptors ACE2 and CD147: Multivariate data analysis of multisine impedimetric response
PublikacjaSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) enters the cells through the binding of spike protein to the host cell surface-expressing angiotensin-converting enzyme 2 (ACE2) or by endocytosis mediated by extracellular matrix metalloproteinase inducer (CD147). We present extended statistical studies of the multisine dynamic electrochemical impedance spectroscopy (DEIS) revealing interactions between Spike RBD and...
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Stability and phase transition investigation of olanzapine polymorphs
PublikacjaWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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How to choose drive’s rated power in electrified urban transport?
PublikacjaSelection of drive's rated power influences not only vehicle's dynamics, but also its energy efficiency. Mentioned above approach requires a multiphysical model, which covers both mechanical and electrical phenomena. This paper discusses how selection of traction drive's rated power influences vehicle energy consumption on example of a trolleybus. A complex mathematical model was developed in Matlab/Simulink to describe the multiphisical...
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Electrochemical properties of porous Sr0.86Ti0.65Fe0.35O3 oxygen electrodes in solid oxide cells: Impedance study of symmetrical electrodes
PublikacjaThis work evaluates porous Sr0.86Ti0.65Fe0.35O3 (STF35) as a possible oxygen electrode material for Solid Oxide Cells. The powder synthesis was performed by solid state method. Characterization included DC electrical conductivity study of sintered bulk samples and impedance spectroscopy study of symmetrical electrodes deposited on gadolinium doped ceria substrates. Measurements were carried out in atmospheres with different pO2...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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The Influence of Iron Doping on Performance of SrTi1-XFexO3-δ Perovskite Oxygen Electrode for SOFC
PublikacjaSolid Oxide Fuel Cells (SOFC) are based on electrolytes and mixed ionic and electronic conductivity (MIEC) materials. The need to reduce costs causes an increase in interest of new compounds suitable for operating temperatures between 600 °C and 800 °C. The SrTi1-xFexO3 (STF) perovskite material is a perspective material that could be used for the oxygen electrodes. In this work STF materials with different content of iron (x =...
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Electrochemical Stability of Few-Layered Phosphorene Flakes on Boron-Doped Diamond: A Wide Potential Range of Studies in Aqueous Solutions
PublikacjaTwo-dimensional phosphorene has attracted great interest since its discovery as a result of its extraordinary properties. Two-dimensional single crystals of phosphorene can be useful for electrochemical (EC) sensing applications due to their enhanced surface-to-volume ratio. We proposed to investigate the electrochemical performance of phosphorene deposited directly on boron-doped diamond (BDD) electrodes. Noncovalent interaction...
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Excess molar volume and viscosity deviation for binary mixtures of gamma-butyrolactone with dimethyl sulfoxide
PublikacjaThe densities of binary liquid mixtures of dimethyl sulfoxide and gamma-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T=298.15 K have been measured at atmospheric pressure over theentire range of concentration. From these data the excess molar volumes VE at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at...
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Deposition and Electrical and Structural Properties of La0.6Sr0.4CoO3 Thin Films for Application in High-Temperature Electrochemical Cells
PublikacjaLow-temperature deposition of electroceramic thin films allows the construction of new devices and their integration with existing large-scale fabrication methods. Developing a suitable low-cost deposition method is important to further advance the development of microdevices. In this work, we deposited a 1-lm-thick La0.6Sr0.4CoO3d (LSC) perovskite with high electrical conductivity on sapphire substrates at 400C and analyzed its...
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Assessment of the factors influencing on the formation of energy-oriented modes of electric power consumption by water-drainage installations of the mines
PublikacjaPurpose. Performing the analysis to determine energy-efficient modes and assess the characteristics of the main indicators of electric power consumption by mine water-drainage installations based on the developed research mathematical model. Methods. To achieve the purpose set, a methodology is used to develop the multiple multifactor correlation-regression modeling with respect to the modes of electric power consumption by electrical...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....