Search results for: adiabatic potential energy curves
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A review on homogeneous and heterogeneous catalytic microalgal lipid extraction and transesterification for biofuel production
PublicationExtracting lipids from microalgal biomass presents significant potential as a cost-effective approach for clean energy generation. This can be achieved through the chemical conversion of lipids to produce fatty acid methyl esters via transesterification. The extraction mainly involves free fatty acids, phospholipids, and triglycerides, and requires less energy, making it an attractive option for satisfying the growing demand for...
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On the correspondence between two- and three-dimensional Eshelby tensors
PublicationWe consider both three-dimensional (3D) and two-dimensional (2D) Eshelby tensors known also as energy–momentum tensors or chemical potential tensors, which are introduced within the nonlinear elasticity and the resultant nonlinear shell theory, respectively. We demonstrate that 2D Eshelby tensor is introduced earlier directly using 2D constitutive equations of nonlinear shells and can be derived also using the throughthe-thickness...
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Electron ionization and low energy electron attachment to molecules of biological interest
PublicationEthylenediaminetetraacetic acid (EDTA) and 2-amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) were investigated by electron impact ionization and low energy electron attachment. Both compounds are components of biological buffers and often are used as DNA stabilizers in irradiation studies. hus it is of a great importance to understand their potential interactions with radiation. Our results revealed that at least one of them, EDTA, may...
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Electron ionization and low energy electron attachment to molecules of biological interest
PublicationEthylenediaminetetraacetic acid (EDTA) and 2-amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) were investigated by electron impact ionization and low energy electron attachment. Both compounds are components of biological buffers and often are used as DNA stabilizers in irradiation studies. hus it is of a great importance to understand their potential interactions with radiation. Our results revealed that at least one of them, EDTA, may...
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Family Tree for Aqueous Organic Redox Couples for Redox Flow Battery Electrolytes: A Conceptual Review
PublicationRedox flow batteries (RFBs) are an increasingly attractive option for renewable energy storage, thus providing flexibility for the supply of electrical energy. In recent years, research in this type of battery storage has been shifted from metal-ion based electrolytes to soluble organic redox-active compounds. Aqueous-based organic electrolytes are considered as more promising electrolytes to achieve “green”, safe, and low-cost...
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Hydrogen Storage in Geological Formations—The Potential of Salt Caverns
PublicationHydrogen-based technologies are among the most promising solutions to fulfill the ze- ro-emission scenario and ensure the energy independence of many countries. Hydrogen is considered a green energy carrier, which can be utilized in the energy, transport, and chemical sectors. However, efficient and safe large-scale hydrogen storage is still challenging. The most frequently used hydrogen storage solutions in industry, i.e., compression...
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Corrosion degradation of spacers – examination of changes in bone cement coating.
PublicationSpacer is a special implant used at the time of infection after endoprosthetic surgery. It consists of a metal core and bone cement coating with an antibiotic. In the human body spacers are exposed to degradation processes. This paper looks at the effect of corrosion on spacers. Electrochemical corrosion tests were performer on titanium pins with bone cement coating in two solutions: Ringer’s solution and artificial...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Local buckling and initial post-buckling behaviour of channel member flange - analytical approach
PublicationThe local buckling and initial post-buckling behaviour of the cold-formed channel member flange is investigated. The governing nonlinear differential equation for axially compressed columns and beams undergoing pure bending is derived using the stationary total potential energy principle. The critical stress and initial post-buckling equilibrium path is determined by means of a perturbation approach. The results obtained allow...
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Thermal Energy Development in Magnetohydrodynamic Flow Utilizing Titanium Dioxide, Copper Oxide and Aluminum Oxide Nanoparticles: Thermal Dispersion and Heat Generating Formularization
PublicationThe main aim of this article heat transfer in thermal engineering deals with the production, use, transformation, and transfer of thermal energy. Engineering and industrial fields including food packaging, the production of food additives, electronic cooling, microturbines, etc. heavily rely on heat transmission. Due to its intriguing potential in industries like the production of polymers, paper, crystal glass, etc., scientists...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Neoclassical Navier–Stokes Equations Considering the Gyftopoulos–Beretta Exposition of Thermodynamics
PublicationThe seminal Navier-Stokes equations were stated even before the creation of the foundations of thermodynamics and its first and second laws. There is a widespread opinion in the literature on thermodynamic cycles that the Navier-Stokes equations cannot be taken as a thermodynamically correct model of a local "working fluid", which would be able to describe the conversion of "heating" into "working" (Carnot's type cycles) and vice...
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Conversion of waste biomass into activated carbon and evaluation of environmental consequences using life cycle assessment
PublicationIn this article, activated carbon was produced from Lantana camara and olive trees by H3PO4 chemical activation. The prepared activated carbons were analyzed by characterizations such as scanning electron microscopy, energy-dispersive X-ray spectroscopy, Brunauer–Emmett–Teller, X-ray diffraction, thermogravimetric analysis, and Fourier transform infrared spectroscopy. H3PO4 is used as an activator agent to create an abundant pore...
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Photovoltaic-Installation Performance in Central Europe on the Example of Poland
PublicationThe amount of the electric energy obtained from a photovoltaic (PV) installation depends on the energy of the radiation. Weather conditions differ strongly between various years even in the same season. Depending on the climatic conditions of a given location, fixed PV solar plants as well as one-axis and dual-axis tracking PV solar plants are being installed worldwide. The aim of this work is to analyse the sunlight intensity...
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Fluid Mechanics, L/L/E, DaPE, sem. 04, summer 21/22 (PG_00050282)
e-Learning CoursesLECTURES Introduction and basic definitions. Properties of fluids. Models of fluids. Fluids in equilibrium. Determination of hydrostatic forces. Archimedes" law. Methods of fluid flow description. General motion of fluid. Deformation of fluid element. Vortex motion of fluid. Principles of conservation of mass, momentum and energy. Balance of entropy. Navier-Stokes equation. Bernoulli equation. Similarity of flow phenomena. Potential...
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Silicon Oxycarbide-Graphite Electrodes for High-Power Energy Storage Devices
PublicationHerein 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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Polynomial description of dynamic impedance spectrogram—introduction to a new impedance analysis method
PublicationThis paper presents a polynomial description of spectrograms obtained using Dynamic Electrochemical Impedance Spectroscopy. A method to fit the polynomial degree correctly is discussed. A simple electrical system of a diode connected in parallel with a capacitor was used for testing. Dynamic impedance measurements during potentiodynamic polarization were conducted. This paper presents an alternative analysis method that allows...
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Photoelectron spectroscopy of brominated derivative of pyrimidine: 2-bromopyrimidine
PublicationIn this study the brominated derivative of pyrimidine, 2-bromopyrimidine, was investigated by photoelectron spectroscopy. Outer valence photoelectron spectra recorded at 21.22, 45 and 100 eV photon energy for this compound are presented. The recorded spectra have a higher resolution than that previously reported in the literature. The bromine 3d and 3p edge photoelectron spectra have also been recorded in a photon impact experiment...
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Energetic model of hydraulic system of refuse collection vehicle based on simulation and experimental data
PublicationThis paper presents an energetic model of hydraulic system of a refuse collection vehicle. First, benefits resulting from implementation of an energetic model in the industry and operation of a Refuse Collection Vehicle are briefly explained. Then, components of the energy consumption in hydraulic circuits of compactor and lifting device are described and combined into a comprehensive model that can be evaluated using basic measurement...
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Analysis of Agricultural and Engineering Systems using Simulation Decomposition
PublicationThis paper focuses on the analysis of agricultural and engineering processes using simulation decomposition (SD). SD is a technique that utilizes Monte Carlo simulations and distribution decomposition to visually evaluate the source and the outcome of different portions of data. Here, SD is applied to three distinct processes: a model problem, a nondestructive evaluation testing system, and an agricultural food-water energy system....
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Medium-Voltage Drives: Challenges and existing technology
PublicationThe article presents an overview of state-of-art solutions, advances, and design and research trends in medium-voltage (MV) drive technologies - and also discusses the challenges and requirements associated with the use of such drives. The choice and deployment of MV drives in industries are associated with numerous requirements related to the front-end converter (grid side) and inverter (machine side). The focus is on solutions...
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Biomass in biogas production: Pretreatment and codigestion
PublicationGlobally, there is increasing awareness that the implementation of ‘waste to energy’ technology is one of the best means to achieve sustainable energy development. The most popular approach is the conversion of organic-rich compounds into clean and renewable products by anaerobic digestion (AD). Biogas can be produced from agricultural residues, municipal/industrial biowastes, and sustainable biomass, especially materials that...
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Three-component NiO/Fe3O4/rGO nanostructure as an electrode material towards supercapacitor and alcohol electrooxidation
PublicationA nanocomposite made of nickel oxide and iron oxide (NiO/Fe3O4) and its hybrid with reduced graphene oxide (rGO) as a conductive substrate with a highly functional surface (NiO/Fe3O4/rGO) was synthesized using a simple hydrothermal approach. This study addresses the challenge of developing efficient materials for energy storage and alcohol fuel cells. After confirming the synthesis through structural analysis, the potential of...
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Hydraulic potential of the Lower Vistula (Poland)
PublicationThe Vistula is the largest river in Poland. Lower Vistula (part of the river discussed in this paper) is almost four hundred kilometers long river section extending from the tributary Narew to the outflow to the Baltic Sea. In the 17th century the Vistula was the most navigable river in Europe. After partitioning of Poland the Vistula lost its significance. Now the Lower Vistula should provide a navigation connection to the Europe...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent 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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Vitamin B9 as a new eco-friendly corrosion inhibitor for copper in 3.5% NaCl solution
PublicationFolic acid salt (sodium folate) was studied as an eco-friendly and non-toxic copper corrosion inhibitor in 3.5% NaCl solution. Electrochemical impedance spectroscopy, polarization resistance and weight-loss measurements show that the inhibitor efficiency increases with concentration (the highest value- approx. 96% was reported for the solution containing 16 mM sodium folate after 24 h). EIS data and Tafel plots indicate that sodium...
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Photoluminescence as a probe of phosphorene properties
PublicationHere, we provide a detailed evaluation of photoluminescence (PL) as a comprehensive tool for phosphorene characterization with the emphasis on a prominent quantitative role of PL in providing fingerprint-like features due to its extreme sensitivity to the band structure details, anisotropy, disorder, external fields, etc. Factors such as number of layers, dimensionality, structural and chemical disorder, and environmental factors...
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The bismuth vanadate thin layers modified by cobalt hexacyanocobaltate as visible-light active photoanodes for photoelectrochemical water oxidation
PublicationBismuth vanadate thin films deposited using the pulsed laser deposition technique were modified using cobalt hexacyanocobaltate (Cohcc). The 2-step method of Cohcc nanocubes preparation was applied: i) metallic cobalt deposition and ii) cobalt electrooxidation in Co(CN)63− containing electrolyte. The presence of CN stretching vibrations was confirmed by Raman spectroscopy. The energy band gap was equal to 2.5 eV and was estimated...
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An advanced synergy of partial denitrification-anammox for optimizing nitrogen removal from wastewater: A review
PublicationAnammox is a widely adopted process for energy-efficient removal of nitrogen from wastewater, but challenges with NOB suppression and NO3− accumulation have led to a deeper investigation of this process. To address these issues, the synergy of partial denitrification and anammox (PD-anammox) has emerged as a promising solution for sustainable nitrogen removal in wastewater. This paper presents a comprehensive review of recent developments...
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Improving the energy balance in wastewater treatment plants by optimization of aeration control and application of new technologies
PublicationThe methods to improve the energy balance of a wastewater treatment plant (WWTP) by optimization of aeration process control and application of innovative nitrogen removal technologies were overviewed in the study. The control of aeration based on the ABAC (Ammonia-Based Aeration Control) system allows not only for significant savings in electricity consumption, but it can also increase the efficiency of the denitrification process....
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Generalized regression neural network and fitness dependent optimization: Application to energy harvesting of centralized TEG systems
PublicationThe thermoelectric generator (TEG) system has attracted extensive attention because of its applications in centralized solar heat utilization and recoverable heat energy. The operating efficiency of the TEG system is highly affected by operating conditions. In a series-parallel structure, due to diverse temperature differences, the TEG modules show non-linear performance. Due to the non-uniform temperature distribution (NUTD) condition,...
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Different design aspects of an Organic Rankine Cycle turbine for electricity production using a geothermal binary power plant
PublicationIn recent years, pressure has been growing to increase the share of renewable energy sources in electricity generation, which may offer opportunities for the development of geothermal energy in regions that have been so far considered unprofitable in this respect. One such country currently undergoing an energy transition is Poland in which low-temperature geothermal resources are currently used for district heating and recreation...
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Photoinduced K+ Intercalation into MoO3/FTO Photoanode—the Impact on the Photoelectrochemical Performance
PublicationIn this work, thin layers of MoO3 were tested as potential photoanodes for water splitting. The influence of photointercalation of alkali metal cation (K+) into the MoO3 structure on the photoelectrochemical properties of the molybdenum trioxide films was investigated for the first time. MoO3 thin films were synthesized via thermal annealing of thin, metallic Mo films deposited onto the FTO substrate using a magnetron sputtering...
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublicationApplication of Li-ion batteries in electric vehicles requires improved safety, increased lifetime and high charging rates. One of the most commonly used intercalation anode material for Li-ion batteries, graphite, is vulnerable to Li nucleation, a side reaction which competes with the intercalation process and leads to loss of reversible capacity of the battery, ageing and short-circuits. In this study, we deploy a combined grand...
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Pretreatment of Lignocellulosic Materials as Substrates for Fermentation Processes
PublicationLignocellulosic biomass is an abundant and renewable resource that potentially contains large amounts of energy. It is an interesting alternative for fossil fuels, allowing the production of biofuels and other organic compounds. In this paper, a review devoted to the processing of lignocellulosic materials as substrates for fermentation processes is presented. The review focuses on physical, chemical, physicochemical, enzymatic,...
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Scale transformations in model exchange potentials in low energy electron-atom scattering
PublicationModel exchange potentials are particularly interesting to account for the indistinguishability between the projectile and target electrons in electron-atom scattering in vacuo and plasma environments. It is well known that their performance is pretty satisfactory in the high energies but also that discrepancies from the results obtained with exact exchange are found toward the zero energy limit. In this article, we examine how...
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Bismuth-based nanomaterials-assisted photocatalytic water splitting for sustainable hydrogen production
PublicationThe rapidly increase in the world's population has resulted in a corresponding increase in the energy demand. This demand is largely being met by fossil fuels for power generation, industrial fuel and transportation. However, due to the limited availability of fossil fuels and their negative effects on the environment. The use of fossil fuels results in by-products such as carbon, nitrogen and sulfur oxides which have negative...
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Bismuth-based nanomaterials-assisted photocatalytic water splitting for sustainable hydrogen production
PublicationThe rapidly increase in the world's population has resulted in a corresponding increase in the energy demand. This demand is largely being met by fossil fuels for power generation, industrial fuel and transportation. However, due to the limited availability of fossil fuels and their negative effects on the environment. The use of fossil fuels results in by-products such as carbon, nitrogen and sulfur oxides which have negative...
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Synthesis and Characterization of Monometallic (Ag, Cu) and Bimetallic Ag-Cu Particles for Antibacterial and Antifungal Applications
PublicationIn this paper, the experimental studies are concerned with the effect of the synthesis parameters on the formation of monometallic Ag and Cu nanoparticles (NPs). We consider the synthesis strategies verification for the bimetallic core-shell and alloy particles preparation. It was successfully obtained by chemical reduction method. The obtained colloidal solution is characterized by the transmission electron microscopy (TEM) with...
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The assessment of solar photovoltaic in Poland: the photovoltaics potential, perspectives and development
PublicationThe following article explains the current condition of the photovoltaics sector both in Poland and worldwide. Recently, a rapid development of solar energy has been observed in Poland and is estimated that the country now has about 700,000 photovoltaics prosumers. In October 2021, the total photovoltaics power in Poland amounted to nearly 5.7 GW. The calculated technical potential of photovoltaics in Poland is 153.484 PJ (42.634...
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On nonlinear dilatational strain gradient elasticity
PublicationWe call nonlinear dilatational strain gradient elasticity the theory in which the specific class of dilatational second gradient continua is considered: those whose deformation energy depends, in an objective way, on the gradient of placement and on the gradient of the determinant of the gradient of placement. It is an interesting particular case of complete Toupin–Mindlin nonlinear strain gradient elasticity: indeed, in it, the...
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Analytical calculations of scattering lengths for a class of long-range potentials of interest for atomic physics
PublicationWe derive two equivalent analytical expressions for an $l$th partial-wave scattering length $a_{l}$ for central potentials with long-range tails of the form % \begin{math} \displaystyle V(r)=-\frac{\hbar^{2}}{2m}\frac{Br^{n-4}}{(r^{n-2}+R^{n-2})^{2}} -\frac{\hbar^{2}}{2m}\frac{C}{r^{2}(r^{n-2}+R^{n-2})}, \end{math} % ($r\geqslant r_{s}$, $R>0$). % For $C=0$, this family of potentials reduces to the Lenz potentials discussed in...
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Potential Impact of Waterway Development on Cultural Landscape Values: The Case of the Lower Vistula
PublicationThe northern (“lower”) section of the Vistula is on the route of two international waterways—E70 and E40. However, the current condition of the riverbed prevents larger vessels from passing through. Plans for the waterway date back to the beginning of the 20th century. Following Poland’s ratification of the European Agreement on Main Inland Waterways of International Importance in 2017, the general concept has been transformed...
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Two-body dissociation of isoxazole following double photoionization – an experimental PEPIPICO and theoretical DFT and MP2 study
PublicationThe dissociative double photoionization of isoxazole molecules has been investigated experimentally and theoretically. The experiment has been carried out in the 27.5–36 eV photon energy range using vacuum ultraviolet (VUV) synchrotron radiation excitation combined with ion time-of-flight (TOF) spectrometry and photoelectron–photoion–photoion coincidence (PEPIPICO) technique. Five wellresolved two-body dissociation channels have...
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The use of recycled semiconductor material in crystalline silicon photovoltaic modules production - A life cycle assessment of environmental impacts
PublicationTo offset the negative impact of photovoltaic modules on the environment, it is necessary to introduce a longterm strategy that includes a complete lifecycle assessment of all system components from the production phase through installation and operation to disposal. Recycling of waste products and worn-out systems is an important element of this strategy. As the conclusions from the previous studies have shown, thermal treatment...
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Novel Structures and Applications of Graphene-Based Semiconductor Photocatalysts: Faceted Particles, Photonic Crystals, Antimicrobial and Magnetic Properties
PublicationGraphene, graphene oxide, reduced graphene oxide and their composites with various compounds/materials have high potential for substantial impact as cheap photocatalysts, which is essential to meet the demands of global activity, offering the advantage of utilizing “green” solar energy. Accordingly, graphene-based materials might help to reduce reliance on fossil fuel supplies and facile remediation routes to achieve clean environment...
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Investigating BiMeVOx compounds as potential photoelectrochemical and electrochemical materials for renewable hydrogen production
PublicationIn this study, BiMeVOx compounds (where Me: Co, Mo, Ce, Zr) were synthesized and characterized as potential photoelectrochemical materials for solar water splitting, the hydrogen evolution reaction (HER), and oxygen evolution reaction (OER). The analysis confirmed the successful formation of phase BiMeVOx compounds with the desired crystal structure. Among the tested materials, BiCoVOx(800) showed the highest photocurrent density...
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On the Equations of the Surface Elasticity Model Based on the Theory of Polymeric Brushes
PublicationMotivating by theory of polymers, in particular, by the models of polymeric brushes we present here the homogenized (continual) two-dimensional (2D) model of surface elasticity. A polymeric brush consists of an system of almost aligned rigid polymeric chains. The interaction between chain links are described through Stockmayer potential, which take into account also dipole-dipole interactions. The presented 2D model can be treated...