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Wyniki wyszukiwania dla: WHEAT STRAW · CHEMICAL-TREATED TORREFACTION · ENERGY DENSITY · OPTIMIZATION · RSM
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress 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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A dissimilar welded joint of grade 92 steel and AISI 304L steel obtained using IN82 buttering and IN617 fller: relationship of microstructure and mechanical properties
PublikacjaUnfavourable operating conditions of equipment in the energy industry resulting from high-temperature loads determine the need to use special materials and technological solutions, including welding procedures. In this article, buttering using IN82 (ERNiCr-3) consumables was proposed as a method to improve the weldability of grade 92 steel joined by the gas tungsten arc welding (GTAW) process with AISI 304L (IN617 fller). The...
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A novel concept of negative CO2 emission power plant for utilization of sewage sludge
PublikacjaCarbon Capture and Storage (CSS) technology is considered an important “bridge technology”, allowing effective abatement of CO2 emissions for power units using fossil fuels. However, if biomass is used in a power plant, equipped with CCS system, negative CO2 emissions can be achieved. In practice, wide development of such technologies would enable not only reduction of CO2 emissions, but also reversal of the harm done so far. In...
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Recycling of Industrial Waste as Soil Binding Additives—Effects on Soil Mechanical and Hydraulic Properties during Its Stabilisation before Road Construction
PublikacjaTo improve the in situ soil stabilization, different chemical additives are used (ion exchange compounds, additives based on H2SO4 or vinyl polymers, and organic additives using lignosul- fonates). One interesting alternative is the production of additives from various waste materials. The extensive testing of waste-based blends with soil was performed; the mechanical (unconfined compressive strength (UCS)) and hydraulic (capillary...
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Development and Validation of SPE-HPLC-MS/MS Method for Determining Cyclophosphamide in Surface Waters
PublikacjaA rapid and selective method for trace amounts determination of cyclophosphamide in surface water samples has been developed. A solid phase extraction SPE method for extraction and clean-up procedure has been optimized for determination by reversed-phase high-performance liquid chromatography with tandem mass spectrometry. The analyses proceed in the positive ion mode by means of the electrospray ionization method (ESI). Clean...
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Hydrochars as a bio-based adsorbent for heavy metals removal: A review of production processes, adsorption mechanisms, kinetic models, regeneration and reusability of hydrochar
PublikacjaThe spread of heavy metals throughout the ecosystem has extremely endangered human health, animals, plants, and natural resources. Hydrochar has emerged as a promising adsorbent for removing heavy metals from water and wastewater. Hydrochar, obtained from hydrothermal carbonization of biomass, owns unique physical and chemical properties that are highly potent in capturing heavy metals via surface complexation, electrostatic interactions,...
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New approach for e-cigarette aerosol collection by an original automatic aerosol generator utilizing melt-blown non-woven fabric
PublikacjaCurrently, there is lack of standardized conditions for the collection and analysis of e-cigarette (EC) aerosol. Considering the urgent need for the development of these guidelines, a procedure for EC aerosol analysis was developed. A novel automatic e-cigarette aerosol generator was designed. For the first time, melt-blown non-woven fabric was applied for the effective uptake of compounds released from vaporized e-liquid. The...
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Novel, Fully Biobased Semicrystalline Polyamides
PublikacjaNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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2D MXene nanocomposites: electrochemical and biomedical applications
PublikacjaIn recent years, key questions about the interaction of 2D MXene nanomaterials in electrochemical and biomedical applications have been raised. Most research has focused on clarifying the exclusive properties of the materials; however, only limited reports have described the biomedical applications of 2D nanomaterials. 2D MXenes are monolayer atomic nanosheets resulting from MAX phase ceramics. The hydrophilic properties, metallic...
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Effect of gelation and storage conditions on the oxidative stability of microemulsion and nanoemulsion delivery systems
PublikacjaIncreased interest in the use of microemulsion and nanoemulsion delivery systems for medical, cosmetic and food purposes, promotes the development of research on their physical and chemical stability, and the safety of use. Here, we have for the first time evaluated the oxidative stability of linseed oil dispersed in the microemulsion, nanoemulsion, and their gelled systems, stored under different conditions, and compared to the...
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Ordered TiO2 nanotubes with improved photoactivity through self-organizing anodization with the addition of an ionic liquid: effects of the preparation conditions
PublikacjaModifying the geometric and surface parameters of oriented TiO2 nanotubes (NTs) is beneficial to the utilization of solar energy for chemical reactions, and this performance may be further improved. Thus, the effects of adding an ionic liquid (IL), 1-butylpiridinium chloride [BPy][Cl], and the effects of the water content and preparation conditions on the surface morphological, physicochemical, photocatalytic and photoelectrochemical...
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Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance
PublikacjaWe investigate the methanol absorption spectrum in the range 5.5–10.8 eV to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol electronic-state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the-art quantum chemical calculation methods. The VUV spectrum reveals several new features...
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Pilot installation for thermal utilization of meat-and-bone meal using the rotary kiln pyrolyzer and the fluidised bed boiler
PublikacjaThe technology of thermal utilization of meat-and-bone meal (MBM) is still at the research state. However, there are already a number of existing pilot-scale installations that provide the complete, effective and environmentally safe process conducting. The universal technology was developed that allows to combust various types of waste, including animal waste, municipal waste and sludge, mixed at any ratio with different types...
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Sounding rocket temperature and heat transfer data
Dane BadawczeThis dataset contains temperature and heat transfer data measured during REXUS 25 sounding rocket HEDGEHOG Experiment launched from Esrange Space Centre, Kiruna, Sweden. For experiment details, please see:
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Theory and application of Near-infrared spectroscopy
PublikacjaIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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Role of buttering layer composition on microstructural heterogeneity and mechanical properties of Alloy 617 and P92 steel dissimilar welded joints for future Indian AUSC program
PublikacjaRestrictive operating conditions (even exceeding 700 °C) of materials in advanced ultra super critical (AUSC) power plants and the need to minimize manufacturing and maintenance costs require the production of dissimilar metal welded joints (DMW). Significant differences in the physical and chemical properties of welded materials lead to phenomena that reduce the weldability of the metals used and force the search for solutions...
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Novel approach to modeling spectral-domain optical coherence tomography with Monte Carlo method
PublikacjaNumerical modeling Optical Coherence Tomography (OCT) systems is needed for optical setup optimization, development of new signal processing methods and assessment of impact of different physical phenomena inside the sample on OCT signal. The Monte Carlo method has been often used for modeling Optical Coherence Tomography, as it is a well established tool for simulating light propagation in scattering media. However, in this method...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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The concept of stream and system reliability on the example of the bakery industry
PublikacjaThis article presents a new concept of technological system reliability based on the analysis of the relationship of associations of elements of energy streams, matter, information, time and finance. The method of stream specification and the method of determining the reliability values of significant and supporting relationships are given. Relevant relationships between elements of system streams were defined as having one-time...
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Conducting polymers for biodegradable metallic implants
PublikacjaNowadays permanent metallic cardiovascular stents are long-term implants. The long-time presence of such an implant in human body can cause overgrowth of tissue within the treated portion of the vessel, blockage of the circulatory system and many other clinical complications, such as thrombosis, prolonged physical irritations or chronic inflammation. Therefore, in recent years, there is an interest to create biodegradable metallic...
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Layer-by-layer polymer deposited fabrics with superior flame retardancy and electrical conductivity
PublikacjaSmart and multifunctional textiles and fabrics are progressively developing, such that multifunctional fabrics are becoming more widespread. We elaborated herein multi-layered flax fabrics with superior flame retardancy and conductivity, which revealed fireproof feature while keeping conductivity during burning. The flax fabric was reinforced by layer-by-layer (LbL) deposition of sodium polyacrylate (SPA), polyethylenimine (PEI),...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublikacjaWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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A review on gasification and pyrolysis of waste plastics
PublikacjaGasification and pyrolysis are thermal processes for converting carbonaceous substances into tar, ash, coke, char, and gas. Pyrolysis produces products such as char, tar, and gas, while gasification transforms carbon-containing products (e.g., the products from pyrolysis) into a primarily gaseous product. The composition of the products and their relative quantities are highly dependent on the configuration of the overall process...
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Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublikacjaIonic liquids (ILs) are a broad group of organic salts of varying structure and properties, used in energy conversion and storage, chemical analysis, separation processes, as well as in the preparation of particles in nano- and microscale. In material engineering, ionic liquids are applied to synthesize mainly metal nanoparticles and 3D semiconductor microparticles. They could generally serve as a structuring agent or as a reaction...
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Exergetic Analysis of the nCO2PP Cycle with Particular Reference to the Exergy Destruction of Sewage Sludge Due to Gasification
PublikacjaAn exergy analysis is carried out on the negative CO2 emission gas power plant (nCO2PP), which integrates the process sections of fuel preparation, power generation and carbon capture. Processes of exergy destruction are studied with particular focus on the process in the gasification unit of the fuel preparation section, where a large amount of exergy is destroyed in various chemical reactions from sewage sludge to producer gas...
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Morphology, Photocatalytic and Antimicrobial Properties of TiO2 Modified with Mono- and Bimetallic Copper, Platinum and Silver Nanoparticles
PublikacjaNoble metal nanoparticles (NMNPs) enhanced TiO2 response and extended its activity under visible light. Photocatalytic activity of TiO2 modified with noble metal nanoparticles strongly depends on the physicochemical properties of NMNPs. Among others, the differences in the size of NMNPs seems to be one of the most important factors. In this view, the effect of the metal’s nanoparticles size, type and amount on TiO2 photocatalytic...
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Boron doped Nanocrystalline Diamond-Carbon Nanospike Hybrid Electron Emission Source
PublikacjaElectron emission signifies an important mechanism facilitating the enlargement of devices that have modernized large parts of science and technology. Today, the search for innovative electron emission devices for imaging, sensing, electronics, and high-energy physics continues. Integrating two materials with dissimilar electronic properties into a hybrid material is an extremely sought-after synergistic approach envisioning a...
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ACTIVATED BIOCHAR AS AN ADSORBENT OF ORGANIC POLLUTANTS FOR WATER AND WASTEWATER TREATMENT
PublikacjaThe use of biomass, especially waste biomass, as an alternative energy source is a very important issue today. Pyrolysis is a process of thermal degradation of raw material and one of its products is biochar. This product is mainly distinguished by its high carbon content, and by improving its quality through activation, it can be more widely used. Activated biocarbon has a strongly developed surface and porous structure, and as...
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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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Biopolyols obtained via crude glycerol-based liquefaction of cellulose: their structural, rheological and thermal characterization
PublikacjaIn this work lignocellulose biomass liquefaction was used to produce biopolyols suitable for the manufacturing of rigid polyurethane foams. In order to better evaluate the mechanism of the process, pure cellulose was applied as a raw material. The effect of time and temperature on the effectiveness of liquefaction and the parameters of resulting biopolyols were characterized. The prepared materials were analyzed in terms of their...
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Structural, thermal and physico-mechanical properties of polyurethane/brewers’ spent grain composite foams modified with ground tire rubber
PublikacjaIn this work, brewers’ spent grain (BSG) and ground tire rubber (GTR) waste fillers were applied as low-cost reinforcement phase in rigid polyurethane foam (PUR). PUR/BSG/GTR composites were prepared by a single step method, using polyglycerol as partial substitute of commercially available petrochemical polyols. Foaming parameters, chemical structure, dynamic mechanical properties, thermal stability, physico-mechanical properties...
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Superhydrophobic and superoleophilic melamine sponges impregnated with deep eutectic solvents for oil spill cleanup
PublikacjaThe extensive extraction of oil from the bottom of seas and oceans and its transportation by tankers increase the risk of potential environmental disasters associated with hydrocarbon fractions entering water reservoirs. Therefore, this paper presents the preparation of a simple impregnation of a melamine sponge with deep eutectic solvents (DES), which can be obtained from natural sources, including coconut oil, palm kernel oil,...
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Nonlinear impedance as a function of A.C. voltage for glass 40Bi2VO5.5-60SrB4O7 annealed at 473 K for 3h and next fully crystallized measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for annealed at 473 K for 3h and next fully crystallized 40Bi2VO5.5-60SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for fully crystallized 35Bi2VO5.5-65SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for fully crystallized 35Bi2VO5.5-65SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 45Bi2VO5.5-55SrB4O7 fully crystallized glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 45Bi2VO5.5-55SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of as-quenched glass 40Bi2VO5.5-60SrB4O7 after full crystallization was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of as-quenched glass 40Bi2VO5.5-60SrB4O7 afetr full crystallization was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for annealed at 593 K and next fully crystallized 40Bi2VO5.5-60SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of glass 40Bi2VO5.5-60SrB4O7 annealed at 473 K for 3h and next fully crystallized was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized was measured by impedance spectroscopy method.
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Nonlinear impedance of 35Bi2VO5.5-65SrB4O7 fully crystallized glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 35Bi2VO5.5-65SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance of annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for fully crystallized 45Bi2VO5.5-55SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for fully crystallized 45Bi2VO5.5-55SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 30Bi2VO5.5-70SrB4O7 fully crystallized glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 30Bi2VO5.5-70SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance of glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized was measured by impedance spectroscopy method.
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An Overview of Bidirectional EV Chargers: Empowering Traction Grid-Powered Chargers
PublikacjaIn recent years, the number of electric vehicles has been at least doubling year after year. As a result, today electric vehicles already account for approximately 10% of the global automotive market, which positively affects environment in urbanized areas. However, to take full advantage of the EV integration it is necessary to use renewable sources for their charging; optimally place charging stations/terminals; optimally manage...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublikacjaThis 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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Advanced Potential Energy Surfaces for Molecular Simulation
PublikacjaAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Enhanced photoelectrochemical and photocatalytic performance of iodine-doped titania nanotube arrays
PublikacjaThe paper discusses the synthesis and performance of iodine doped titania nanotube arrays exhibited under irradiation. The doping procedure was performed as an additional, electrochemical process carried out after formation of nanotube arrays via anodization of Ti substrate. The optical and structural properties were characterized using Raman, UV-vis, photoluminescence and X-ray photoelectron spectroscopy. The surface morphology...
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A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublikacjaTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
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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...