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Wyniki wyszukiwania dla: ELECTROMODULATION PHOTOLUMINESCENCE CHARGE PHOTOGENERATION DIMERS ONSAGER MODEL BATHOCUPROINE OLEDS
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublikacjaElectric field-modulated photoluminescence (EML) was measured in vacuum-evaporated films of bathocuproine (BCP), electron-transporting material commonly used in organic light-emitting diodes (OLEDs). The external electric field of 106 V/cm strength decreases long-wavelength photoluminescence (PL) up to 10% but the same effect on short-wavelength PL is above one order of magnitude smaller. The distinctive difference between the...
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Sano-Tachiya-Noolandi-Hong, Onsager and Braun models vs Monte Carlo simulation of charge photogeneration in organic solids
PublikacjaThe Sano-Tachiya-Noolandi-Hong (STNH), Onsager, and Braun models as well as Monte Carlo (MC) simulations of charge recombination/separation have been applied for the first time to reproduce the results of the electromodulated photoluminescence measurements in vacuum-evaporated films of fluorescent materials commonly used in optoelectronic devices. The values of the electron-hole pair final recombination speed in the monomer emitters:...
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Electromodulation and magnetomodulation of exciton dissociation in electron donor (starburst amine) : electron acceptor (bathocuproine) system
PublikacjaElectric field dependencies of electromodulated photoluminescence and photocurrents as well as the magnetic field effects on photocurrents, photovoltaic characteristics, electromodulated photoluminescence and photoluminescence have been investigated in vacuum evaporated films of m-MTDATA:BCP (4,4',4''-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine and bathocuproine) system. The electromodulation processes do remain in accordance...
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Sano-Tachiya-Noolandi-Hong versus Onsager modelling of charge photogeneration in organic solids
PublikacjaW pracy obliczono numerycznie charakterystyki polowe wydajności fotogeneracji nośników ładunku na gruncie różnych wesrsji modeli Onsagera i Noolandiego-Honga. Wyznaczone krzywe teoretyczne porównano z wynikami doświadczalnymi uzyskanymi metodą elektromodulacji (foto)luminescencji (EML) dla próżniowo naparowanych warstw organicznych kompleksów Alq3 i Ir(ppy)3.
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Photogeneration of charge carriers pairs in pentacene layers.
PublikacjaAnalizowano mechanizmy odpowiedzialne za powstawanie par nośników ładunku w polikrystalicznych warstwach pentacenu.
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Hopf bifurcation in time‐delayed gene expression model with dimers
PublikacjaWe study a mathematical model of gene transcription and protein synthesis with negative feedback. We consider a system of equations taking into account the formation of dimers (i.e., complex formed by two protein monomers), the way in which dimers bind to DNA and time delay in translation process. For the model consisting of three ordinary differential equations with time delay, we derive conditions for stability of the positive...
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Magnetic hyperfine modulation of charge photogeneration in solid films of Alq3.
PublikacjaZewnętrzne pole magnetyczne (B=100mT) zwiększa fotoprzewodnictwo w hydro-sychinolinowym kompleksie aluminium (Alq3) o 6%. W silniejszych polach magnetycznych (B>100mT) wielkość efektu osiąga stałą wartość. Zaobserwowane wyniki doświadczalne wyjaśniono biorąc pod uwagę magnetyczno-polową modulację oddziaływań nadsubtelnych singletowych i trypletowych par elektron-dziurawy tworzonych w procesie fotogeneracji ładunku.
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Electromodulation of photoluminescence in vacuum-evaporated films of fac-tris(2-phenylpyridine)iridium(III)
PublikacjaZaobserwowano silne wygaszenie fosforescencji w komórkach sandwiczowych Al/Ir(ppy)3/Al/kwarc, które w polu elektrycznym o natężeniu 3 MV/cm dochodzi do 30%. Mechanizm wygaszania jest związany z dysocjacją ekscytonów trypletowych pod działaniem zewnętrznego pola elektrycznego w obszarach zdefektowanych sieci krystalicznej.
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Charge photogeneration effect on the exciplex emission from thin organic films
PublikacjaZaobserwowano silne wygaszenie fluorescencji i fosforescencji ekscypleksowej w układzie dwuamina TPD (donor elektronu): pochodna fenantroliny BPT (akceptor elektronu) w zewnętrznym polu elektrycznym. Efekt ten przypisano wygaszaniu molekularnych ekscytonów singletowych TPD na elektronach akceptorów BPT.
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Dependence of the charge carries photogeneration yield on the bimolecular recombination in tetracene layers
PublikacjaBadano mechanizmy generacji nośników ładunku dwóch znaków w warstwie tetracenu. Rezultaty pomiarów doświadczalnych oraz prowadzona analiza wykazały, że rekombinacja wpływa znacząco na produkcję nośników ujemnych.
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The influence of the thickness, recombination and space charge on the loss of photocurrent in organic semiconductors: an analytical model
PublikacjaWe propose an analytical model of the photocurrent efficiency dependence on the light intensity in organic semiconductors. The influence of the thickness of sample, space charge effects and recombination of charge on the loss of photocurrent has been considered. We demonstrate that the presented model is the enhancement of an analytical model reported recently by Rappaport et al (2005 J. Appl. Phys. 98 033714). The method to identify...
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Model-Based Decision Support System for the Blast Furnace Charge of Burden Materials
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A correlation between electron-hole pair radii and magnetomodulation of exciplex fluorescence in electron donor-electron acceptor organic systems
PublikacjaElectric field dependencies of electromodulated photoluminescence and magnitudes of the magnetic-field effect on photoluminescence havebeen measured in vacuum-evaporated films of m-MTDATA [4,4',4"-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine]:bathophe-nanthroline, m-MTDATA:BCP (bathocuproine), as well as 4,4',4"-tris[2-naphthyl(phenyl)amino]triphenylamine:BCP. The Sano-Tachiya-Noolandi-Hong extension of standard Onsager...
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Photoelectric properties of a novel MEH-PPV/F16ZnPc heterojunction
PublikacjaPhotoelectric properties of a novel poly[2-methoxy-5-(2-ethylhexyloxy-p-phenylenevinylen)] (MEH-PPV)/perfluorozincphthalocyanine (F16ZnPc) planar heterojunction provided with BCP and MoO3 buffer layers sandwiched between indium tin oxide (ITO) and Ag are shown. Efficient photogeneration of charge carriers at this junction is observed. Effect of bathocuproine (BCP) and MoO3 buffer layers on the performance of cells is analysed....
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Modeling the electrical characteristics of P3HT:PCBM bulk heterojunction solar cells: Influence of the interface recombination
PublikacjaThe interface recombination of charge carriers located in the material with lower permittivity (Szmytkowski 2009 Chem.Phys.Lett. 470 123) has been implemented for the first time to calculate the electrical characteristics of the donor-acceptor P3HT:PCBM bulk heterojunction solar cell. In order to estimate the photocurrent density in this system, a simple analytical formula has been derived. We have obtained a very good agreement...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublikacjaElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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The photocurrent quantum efficiency dependence on the applied voltage in organic solar cells
PublikacjaWe demonstrate that our recently reported model (Szmytkowski 2007 J. Phys. D: Appl. Phys. 40 3352) of the photocurrent quantum efficiency in organic semiconductors explains the external quantum efficiency dependence on the electric field in organic solar cells. This effect can be explained by taking into account that the photogeneration of charge carriers occurs via the electron-hole pair dissociation and the space charge effects...
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Photovoltaic phenomena in devices with perfluorozincphthalocyanine layer
PublikacjaThe course of photovoltaic phenomenon in organic photovoltaic cells utilizing thin layers of perfluorozincphthalocyanine was studied in few single and planar bilayer configurations. Mechanisms of photogeneration and recombination of free charge carriers were determined and active interfaces were localized. In case of single layer cells these interfaces were located at the front electrode/F16ZnPc junctions, whereas photogeneration...
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A study of concentration depolarization and quenching of photoluminescence of solutions
PublikacjaThe concentration-dependence of emission anisotropy r/r0 and quantum yield eta/eta0 of the photoluminescence of glycerol-water solutions of rhodamine B in two systems of viscosities 7.4 P and 0.72 P is investigated. The experimental data are compared with the new theory of concentraticn depolarization (J. Lumin., 5, 413 (1972)) and concentration quenching of photoluminescence (Acta Phys. Hungar., 30, 145 (1972)), which takes...
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Generalized Einstein relation in disordered organic semiconductors: Influence of the acoustic phonons–charge carriers scattering
PublikacjaIn this work, we analyze the generalized Einstein relation for disordered organic semiconductors with a non-equilibrium Druyvesteyn-type distribution function. The Druyvesteyn behavior of hot electrons in a solid state is associated with the acoustic phonons–charge carriers scattering. Such a case has been experimentally demonstrated in electroluminescent inorganic rare–earth–doped zinc chalcogenides. Therefore, we can assume that,...
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Strahlungslose Übertragung von Elektronenanregungsenergie bei zweidimensionalen lumineszierenden Systemen
PublikacjaAn expression for the photoluminescence (PhL) quantum yield of donors in two-dimensional systems as depending on the concentration ratio nD'/nA' of donors and acceptors has been obtained. In the particular case nD' ⪡ nA' the expression reduces to the form given by other authors. The obtained formula can also be applied to the description of the concentrational quenching of PhL when dimers act as acceptors. The theory has been...
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Photoconduction and magnetic field effect on photoconduction in hole-transporting star-burst amine (m-MTDATA) films
PublikacjaPhotoconduction and magnetic field effect on photoconduction have been investigated as a function of electric field strength, excitation light intensity and wavelength in vacuum evaporated films of m-MTDATA (4,4′,4″-tris(N-(3-methylphenyl)-N-phenylylamino) triphenylamine), the starburst amine commonly used as hole-transporting material in organic light-emitting diodes. The photocurrent is found to be generated by the singlet exciton...
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Modelling gene expression of a self-regulating protein
PublikacjaWe analyze a model of gene transcription and protein synthesis. We take into account the number of sites on the protein’s promoter at which the protein’s dimers can bind blocking transcription of protein mRNA.
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Application of the Heavy-Atom Effect for (Sub)microsecond Thermally Activated Delayed Fluorescence and an All-Organic Light-Emitting Device with Low-Efficiency Roll-off
PublikacjaThefeatureof abundantandenvironmentallyfriendlyheavyatoms(HAs)like bromineto acceleratespin-forbiddentransitionsin organicmoleculeshas beenknownforyears.In combinationwiththe easinessof incorporation,brominederivativesof organicemittersshowingthermallyactivateddelayedfluorescence(TADF)emergeas a cheapand efficientsolutionforthe slowreverseintersystemcrossing(rISC)problemin suchemittersand strongefficiencyroll-offof all-organiclight-emittingdiodes(OLEDs).Here,we...
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Analysis of a gene expression model
PublikacjaWe study a mathematical model of gene transcription and protein synthesis with negative feedback. We consider a system of equations taking into account the number of active binding sites, the way in which dimers bind to DNA and time delay in translation process. For a simplified model that consist of three ordinary differential equations with time delay we derive conditions for stability of the positive steady state and for the...
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Quenching effects in organic electroluminescence
PublikacjaWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublikacjaThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublikacjaThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublikacjaPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Nongeminate recombination in organic bulk heterojunction solar cells: Contribution of exciton–polaron interaction
PublikacjaA new model to explain nongeminate recombination in organic bulk heterojunction solar cells is presented. We suggest that the annihilation of excitons on charge carriers at the interface between donor and acceptor phases competes with the bimolecular recombination of Coulombically bound electron–hole pairs. The exciton–polaron interaction gives visible contribution to the reduction of Langevin recombination. An analytical formula,...
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Analysis of the image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells
PublikacjaWe consider the influence of image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells. The conclusion is that the charge carriers of one sign located in the material with lower permittivity recombine at the boundary between donor and acceptor phases. This process competes with the recombination of opposite sign charge carriers, leading to the reduction of the Langevin-type...
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Scheelite-Type Wide-Bandgap ABO4 Compounds (A = Ca, Sr, and Ba; B = Mo and W) as Potential Photocatalysts for Water Treatment
PublikacjaIn the present study, alkaline-earth metal scheelite-type compounds ABO4 (A = Ca, Sr, Ba, B = Mo, W) synthesized by a hydrothermal method were systematically studied. The as-obtained photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller surface area analysis (BET), UV–Vis diffuse reflectance spectroscopy (DR/UV-Vis), photoluminescence, and thermoluminescence (TL)...
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Hybrid TiO2–Polyaniline Photocatalysts and their Application in Building Gypsum Plasters
PublikacjaHybrid materials of conjugated polymer and titanium(IV) oxide have attracted considerable attention concerning their potential benefits, including (i) ecient exploitation of visible light, (ii) a high adsorption capacity for organic contaminants, (iii) and eective charge carriers separation. The new class of the photocatalysts is promising for the removal of environmental pollutants in both aqueous and gaseous phases. For the first...
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Justification of quasi-stationary approximation in models of gene expression of a self-regulating protein
PublikacjaWe analyse a model of Hes1 gene transcription and protein synthesis with a negative feedback loop. The effect of multiple binding sites in the Hes1 promoter as well as the dimer formation process are taken into account. We consider three, possibly different, time scales connected with: (i) the process of binding to/dissolving from a binding site, (ii) formation and dissociation of dimers, (iii) production and degradation of Hes1...
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublikacjaDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Laser-assisted modification of titanium dioxide nanotubes in a tilted mode as surface modification and patterning strategy
PublikacjaElectrochemical anodization is regarded as a facile and easily scalable fabrication method of titania nanotubes (TiO2NTs). However, due to the extended duration of calcination and further modifications, much faster alternatives are highly required. As a response to growing interest in laser modification of nanotube arrays, a comprehensive investigation of pulsed-laser irradiation and its effect onto TiO2NT properties has been carried out....
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Photocatalytical properties of maze-like MoO3 microstructures prepared by anodization of Mo plate
PublikacjaIn this work, we present a simple method of the formation of MoO3 microstructures via an electrochemical anodization of Mo plate carried out under varied conditions. The morphology, composition and structure of samples were investigated by SEM, EDX, XRD and Raman spectroscopy. The band gap energy was estimated using the Kubelka–Munk function and was found to be 2.87 eV. Finally, the photocatalytic activities of MoO3 samples were...
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Enhanced trap-assisted recombination in organic semiconductors
PublikacjaAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublikacjaThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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Gas‐Phase Removal of Indoor Volatile Organic Compounds and Airborne Microorganisms Over Mono‐ and Bimetal‐Modified (Pt, Cu, Ag) Titanium(IV) Oxide Nanocomposites
PublikacjaThe photocatalytic deactivation of volatile organic compounds and mold fungi using TiO2 modified with mono‐ and bimetallic (Pt, Cu, Ag) particles is reported in this study. The mono‐ and bimetal‐modified (Pt, Cu, Ag) titanium(IV) oxide photocatalysts were prepared by chemical reduction method and characterized using XRD, XPS, DR/UV‐Vis, BET and TEM analysis. The effect of incident light, type and content of mono‐ and bimetallic...
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Numerical modeling of exciton impact in two crystalographic phases of the organo-lead halide perovskite (CH3NH3PbI3) solar cell
PublikacjaTo improve the power conversion efficiency of solar cells based on organo–lead halide perovskites, a detailed understanding of the device physics is fundamental. Here, a computational analysis of excitons impact is reported for these types of photocell. Numerical calculations based on the model, which take into account electronic charge carriers (electrons and holes), excitons and ions, have been carried out. The role of excitons...
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Advanced Lithium-Ion Battery Model for Power System Performance Analysis
PublikacjaThe paper describes a novel approach in battery storage system modelling. Different types of lithium-ion batteries exhibit differences in performance due to the battery anode and cathode materials being the determining factors in the storage system performance. Because of this, the influence of model parameters on the model accuracy can be different for different battery types. These models are used in battery management system...
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Pilot-Scale Studies of WO3/S-Doped g-C3N4 Heterojunction toward Photocatalytic NOx Removal
PublikacjaDue to the rising concentration of toxic nitrogen oxides (NOx) in the air, effective methods of NOx removal have been extensively studied recently. In the present study, the first developed WO3/S-doped g-C3N4 nanocomposite was synthesized using a facile method to remove NOx in air efficiently. The photocatalytic tests performed in a newly designed continuous-flow photoreactor with an LED array and online monitored NO2 and NO system...
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Design and Synthesis of NTU-9/C3N4 Photocatalysts: Effects of NTU-9 Content and Composite Preparation Method
PublikacjaHybrid materials based on graphitic carbon nitride (g-C3N4) and NTU-9 metal–organic frameworks (MOF) were designed and prepared via solvothermal synthesis and calcination in air. The as-prepared photocatalysts were subsequently characterized using Brunauer–Emmett–Teller (BET) analysis, UV-Vis diffuse reflectance spectroscopy (DRS), photoluminescence (PL) emission spectroscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy...
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Novel nitrogen precursors for electrochemically driven doping of titania nanotubes exhibiting enhanced photoactivity
PublikacjaNitrogen doped titania nanotubes were successfully sensitized by electrochemical method, i.e. as-anodized titania was immersed in different amine (diethyleneamine-DETA, triethyleneamine-TEA, ethylenediamine-EDA) and urea (U) solution and a constant potential was applied. The highly ordered morphology of fabricated N-TiO2 was investigated by using scanning electron microscopy. Spectroscopic techniques, i.e. UV-Vis spectroscopy,...
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Modeling of Transient Photocurrent in Organic Semiconductors Incorporating the Annihilation of Excitons on Charge Carriers
PublikacjaThe role of the annihilation of excitons on charge carriers has been theoretically investigated in organic semiconductors. We have developed the numerical drift-diffusion model by incorporation terms which describe the annihilation process. The transient photocurrent has been calculated for different injection barrier heights, exciton mobilities, and annihilation rate constants. We have demonstrated that the annihilation has a...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublikacjaAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...