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Search results for: CHARGE TRANSFER CHROMOPHORE
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High pressure effect on charge transfer transition in Y2O2S:Eu3+
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Charge transfer and formation of complexes in the He+ collisions with the furan molecules
PublicationCharge transfer and formation of the collision complexes have been studied experimentally in fragmentation of the furan molecules in collisions with He+ cations. The excited atomic and diatomic fragments of furan have been identified using collision-induced luminescence spectroscopy. Charge transfer ionization of the furan molecules has been observed in production of helium atoms in the excited 1s4d 1D2, 3D1,2,3 states. The fragmentation...
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Fast method for the determination of the charge transfer coefficient of an electrode reaction
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Reversible electron charge transfer in single-wall carbon nanotubes
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Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen.
PublicationPoliczono adiabatyczne potencjały oddziaływania między jonem siarki i wodoru. Dokonano obliczeń nieadiabatycznych sprzężeń pomiędzy tymi potencjałami. Obliczenia wykazały, że należy wziąć pod uwagę niezbadany wcześniej poziom energetyczny jonu siarki aby dokładnie wyjaśnić mechanizm przechwytu ładunku.
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Increasing the conductivity of V2O5-TeO2 glass by crystallization: structure and charge transfer studies
PublicationIn the present paper, V 2 O 5 -TeO 2 glass was prepared by the melt-quenching technique. Crystallization of glass with a vanadium content higher than 35%mol results in an increase in electrical conductivity by a few orders of magnitude and a decrease in activation energy from ~0.40 to ~0.12 eV. In this work, a critical review of existing charge transfer models was presented on the example of V 2 O 5 -TeO 2 glass and glass–ceramics....
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Increasing the conductivity of V2O5 -TeO2 glass by crystallization: structure and charge transfer studies
PublicationIn the present paper, V2O5-TeO2 glass...
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Interfacial Charge Transfer Complexes in TiO2-Enediol Hybrids Synthesized by Sol–Gel
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Electroabsorption study of metal-to-ligand charge transfer in an organic complex of iridium (III).
PublicationW pracy zmierzono i zinterpretowano widmo elektroabsorpcji (EA) próżniowo naparowanych warstw organicznego kompleksu Ir(ppy)3, powszechnie stosowanego jako emiter fosforescencyjny w organicznych diodach elektroluminescencyjnych. Analiza widma EA potwierdziła fakt,że niskoenergetyczne stany elektronowe tego kompleksu związane są z przeniesieniem ładunku metal-ligand.
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublicationThe 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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BODIPY‐Perylene Charge Transfer Compounds; Sensitizers for Triplet‐Triplet Annihilation Up‐conversion
PublicationBODIPY heterochromophores, asymmetrically substituted with perylene and/or iodine at the 2 and 6 positions were prepared and investigated as sensitizers for triplet-triplet annihilation up conversion (TTA-UC). Single-crystal X-ray crystallographic analyses show that the torsion angle between BODIPY and perylene units lie between 73.54 and 74.51, though they are not orthogonal. Both compounds show intense, charge transfer absorption...
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Synthesis of Bis(ethylenedithio)dithiadiazafulvalenes (BEDT-DTDAF) and Generation of Charge Transfer Complexes with Tetracyanoquinodimetane
PublicationW artykule opisana została synteza Bis(etylenoditio)ditiadiazafulwalenów (BEDT-DTDAF) wykorzystująca jako kluczowe związki przejściowe 4,5-(etylenoditio)tiazol oraz sole 3-aliklo-4,5-(etylenoditio)tiazoliowe oraz generowanie przewodzących kompleksów z przeniesieniem ładunku usyskanych z Bis(etylenoditio)ditiadiazafulwalenów oraz tetracyjanochinodimetanu.
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Theoretical treatment of charge-transfer processes induced by collision of C^q+ ions with uracil
PublicationWychwyt ładunku został opisany teoretycznie przy użyciu podstawowych metod chemii kwantowej, uzupełnionych półklasycznym opisem dynamiki zachodzącego procesu. Otrzymane przekroje czynne pokazują zróżnicowane zachowanie pod wpływem struktury elektronowej badanego jonu i mogą służyć do wyjaśniania prowadzonych badań doświadczalnych.
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GaN Nanowire Array for Charge Transfer in Hybrid GaN/P3HT:PC71BM Photovoltaic Heterostructure Fabricated on Silicon
PublicationAbstract: We demonstrate that a GaN nanowire array can be used for efficient charge transfer between the organic photovoltaic layer and silicon in a Si/GaN/P3HT:PC71BM inverted hybrid heterostructure. The band alignment of such a material combination is favorable to facilitate exciton dissociation, carrier separation and electron transport into Si. The ordered nature of the GaN array helps to mitigate the intrinsic performance...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Influence of charge transfer state on Eu 3+ luminescence in LaAlO 3 , by high pressure spectroscopy
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublicationInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Anab initiostudy of (H3B←NH3)−—a dipole-bound anion supported by the dative charge-transfer bond in the neutral host
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Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3
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Charge transfer and europium trapped exciton states in Eu<sup>3+</sup>/Eu<sup>2+</sup> doped phosphors
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Preparation, characterization and charge transfer studies of nickel – modified and nickel, nitrogen co-modified rutile titanium dioxide for photocatalytic application
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Separation of nitroaromatics and their transformation products in soil around ammunition plants: New high performance liquid chromatographic charge transfer stationary phases
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublicationMonitoring 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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Nonradiative long range energy transfer in donor-acceptor systems with excluded volume
PublicationW pracy analizowano bezpromienisty długozasięgowy transfer energii w układach donor-akceptor z uwzględnieniem objętości wyłączonej. Stwierdzono, że zanik fluorescencji pierwotnie wzbudzonych donorów jest wolniejszy, jeżeli uwzględnia się objętość wyłączoną. Ten efekt jest znacznie wzmocniony, gdy akceptory znajdują się w pewnej objętości niedostępnej dla donorów. Analizę numeryczną przeprowadzono stosując metodę symulacji Monte...
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MOLECULAR SIMULATIONS OF NEOCARZINOSTATIN CHROMOPHORE RELEASE MECHANISM
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Supercapacitors - charge redistribution and restoring voltage
PublicationThe charge in supercapacitor is stored on electrodes and in electrolyte. The charges on electrodes create the Helmholtz double layer which is formed immediately with time constant of the order of seconds, while the charge storage in electrolyte is going on with time constant of the order of hundreds seconds. When the charged supercapacitor is shorted for few seconds, the charge from electrodes is discharged while the charge in...
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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High Performance Tubular Heat Exchanger with Minijet Heat Transfer Enhancement
PublicationIn the paper, the original cylindrical heat exchanger with minijets (MJHE) was introduced. The systematic experimental analysis of the prototype heat exchanger was described with special attention paid to such parameters as the heat transfer effectiveness, heat transfer rates, overall heat transfer coefficients, and pressure drop. The heat transfer coefficients were determined based on Wilson plot method, the most suitable approach...
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Natural convective heat transfer from isothermalconic
PublicationTheoretical considerations on convective heat transfer from isothermal upward conicalsurfaces have been presented. The physical model of this phenomenon consists of an isothermalcone of inclination angle (φ) between the cone generating line (X) and the radius (R) of the cone base. The angle is a parameter of conical surface which varied from (φ = 0−circular horizontal plate) to (φ = π/2—vertical cylinder) . Onthe basis of Navier–Stokes...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublicationThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublicationAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....
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On the use of a charge balancing method for low energy measurements
PublicationThe paper presents the method for the estimation of the energy consumption of the low-power microcontroller-based devices. Due to high dynamics of the changes of the supply current of the tested devices during the operational cycle, the consumed energy estimation is not easy. In order to avoid disadvantages of known methods, the charge balancing method was employed similarly like in some types of A/D converters.
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Asynchronous Charge Carrier Injection in Perovskite Light-Emitting Transistors
PublicationUnbalanced mobility and injection of charge carriers in metal-halide perovskite light-emitting devices pose severe limitations to the efficiency and response time of the electroluminescence. Modulation of gate bias in methylammonium lead iodide light-emitting transistors has proven effective in increasing the brightness of light emission up to MHz frequencies. In this work, a new approach is developed to improve charge carrier...
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Field-induced suppression of charge density wave in GdNiC2
PublicationWe report the specific heat, magnetic, magnetotransport, and galvanomagnetic properties of polycrystalline GdNiC 2 . In the intermediate temperature region above T N = 20 K, we observe large negative magnetoresistance due to Zeeman splitting of the electronic bands and partial destruction of a charge density wave ground state. Our magnetoresistance and Hall measurements show that at low temperatures a magnetic field-induced transformation from...
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Natural convective heat transfer from isothermal cuboids
PublicationThe paper presents results of theoretical and experimental investigations of the convective heat transfer from isothermal cuboid. The analytical solution was performed taking into account complete boundary layer length and the manner of its propagation around isothermal cuboid. It arises at horizontal bottom surface and grows on vertical lateral surface of the block. After changing its direction, the boundary layer occurs above...
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Charge density wave and large nonsaturating magnetoresistance in YNiC2 and LuNiC2
PublicationWe report a study of physical properties of two quasi-low-dimensional metals YNiC2 and LuNiC2 including the investigation of transport, magnetotransport, galvanomagnetic, and specific heat properties. In YNiC2 we reveal two subsequent transitions associated with the formation of weakly coupled charge density wave at TCDW=318K and its locking in with the lattice at T1=275K. These characteristic temperatures follow the previously...
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Magnetism and charge density waves in RNiC2(R=Ce,Pr,Nd)
PublicationWe have compared the magnetic, transport, galvanomagnetic, and specific-heat properties of CeNiC2, PrNiC2, and NdNiC2 to study the interplay between charge density waves (CDW) and magnetism in these compounds. The negative magnetoresistance in NdNiC2 is discussed in terms of the partial destruction of charge density waves and an irreversible phase transition stabilized by the field-induced ferromagnetic transformation is reported....
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Charge Transport in High-Entropy Oxides
PublicationThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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A simplified energy dissipation based model of heat transfer for subcooled flow boiling
PublicationIn the paper a model is presented based on energetic considerations for subcooled flow boiling heat transfer. The model is the extension of authors own model developed earlier for saturated flow boiling and condensation. In the former version of the model we used the heat transfer coefficient for the liquid single-phase as a reference level, due to the lack of the appropriate model for heat transfer coefficient for the subcooled...
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Numerical Study of Turbulent Flow and Heat Transfer of Nanofluids in Pipes
PublicationIn this work, Nusselt number and friction factor are calculated numerically for turbulent pipe flow (Reynolds number between 6000 and 12000) with constant heat flux boundary condition using nanofluids. The nanofluid is modelled with the single-phase approach and the simulation results are compared with experimental data. Ethylene glycol and water, 60:40 EG/W mass ratio, as base fluid and SiO2 nanoparticles are used as nanofluid...
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Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublicationIt has been assumed that cation electron coupled charge transfer can be conducted in accordance with two mutually coupled reactions. Using a differential method an expression was introduced which describes the impedance of a cation electron coupled transfer reaction. Also, an electrical equivalent circuit has been defined. The total faradaic impedance is the sum of electron transfer impedance and cation transfer impedance. Issues...
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A simplified energy dissipation based model of heat transfer for post-dryout flow boiling
Publicationmodel for post dryout mist flow heat transfer is presented based on considerations of energy dissipation in the flow. The model is an extension of authors own model developed earlier for saturated and subcooled flow boiling. In the former version of the model the heat transfer coefficient for the liquid singlephase convection as a reference was used, due to the lack of the appropriate model for heat transfer coefficient for the...
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Synthesis of new polycyclic anthracenodione analogs with hetero- or carbocyclic ring(s) fused to the chromophore system
PublicationZsyntezowano serię nowych analogów antracenodionów z różnymi pierścieniami hetero- lub karbocyklicznymi sprzężonymi z układem chromoforowym. Związki te mogą stanowić nową klasę pochodnych antracenodionów o potencjalnej zdolności pokonywania oporności wielolekowej komórek nowotworowych.
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Prediction of coking dynamics for wet coal charge
PublicationA one-dimensional transient mathematical model describing thermal and flow phenomena during coal coking in an oven chamber was studied in the paper. It also accounts for heat conduction in the ceramic oven wall when assuming a constant temperature at the heating channel side. The model was solved numerically using partly implicit methods for gas flow and heat transfer problems. The histories of temperature, gas evolution and internal...
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The influence of the thickness, recombination and space charge on the loss of photocurrent in organic semiconductors: an analytical model
PublicationWe 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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Experimental study and comparison with predictive methods for flow boiling heat transfer coefficient of HFE7000
PublicationThis article describes an experimental study of flow boiling of HFE7000 inside a smooth vertical channel. The investigation has been carried out in a circular stainless-steel tube with an inner diameter of 2.3 mm. The data have been collected for the applied heat fluxes q ranging from 61 to 205 kW/m2, the mass flux G ranging from 214 to 1006 kg/(m2 s), the saturation temperature Tsat ranging from 30 to 54 °C and the full range...
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Correlation between charge density waves and antiferromagnetism in Nd1−xGdxNiC2 solid solutions
PublicationWe report a study on the evolution of a charge density wave and antiferromagnetism in the series of the polycrystalline solid solution Nd1−xGdxNiC2 (0 _ x _ 1) by means of magnetic and transport properties measurements. The experimental results reveal the violation of the de Gennes law and a strong correlation between the Peierls, Néel, and Curie-Weiss temperatures, which strongly suggests a cooperative interaction between the...
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Inception and Propagation of Electrical Trees in the Presence of Space Charge in HVAC Extruded Cables
PublicationThis paper presents the space charge impact on the inception and propagation of electrical trees in cross-linked polyethylene (XLPE) insulation via simulations and experimentation. A 3D finite element analysis (FEA)-based modeling is proposed to simulate electrical trees via a needle embedded on the XLPE insulation. The proposed FEA model demonstrates the influence of the space charge magnitude and polarity on the initiation of...