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Wyniki wyszukiwania dla: electron-hole pairs
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublikacjaReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublikacjaWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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A large family of filled skutterudites stabilized by electron count
PublikacjaThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublikacjaIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
PublikacjaThe total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
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Electron attachment and electron iozization of acetic acid clusters embedded in helium nanodroplets
PublikacjaThe effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic productsejected in to the gas phase aredetected by mass spectrometry.
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Electron detachment energies in high-symmetry alkali halide solvated-electron anions
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Total cross section measurements for electron scattering from tin(IV) chloride (SnCl4)
PublikacjaTotal cross section for electron scattering from SnCl4 molecules has been measured for energies from 0.6 to 300 eV. Obtained results have been compared with total cross sections for electron scattering from other tetrachloride molecules: XCl4 where X=C, Si, Ge.
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublikacjaThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.
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TOTAL CROSS SECTIONS FOR ELECTRON SCATTERING FROM SELECTED HYDROCARBONS: THE SUBSTITUTIONAL AND ADDITIVITY EFFECTS
PublikacjaTotal cross sections (TCS) for electron scattering from selected alkyne molecules, ethylene and its derivatives are compared. All cross sections have been measured in a wide energy range, from about 1 eV up to 370 eV, with the same electrostatic electron spectrometer. The substitutional and additivity effects are indicated and discussed.
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Synthesis and properties of azobenzocrown ethers with pi-electron donor, or pi-electron donor and pi-electron acceptor group(s) on benzene rings
PublikacjaZsyntezowano nowe etery azobenzokoronowe o różnej wielkości makropierścienia i z różnymi podstawnikami w resztach benzenowych. Korony te posiadają w pierścieniach benzenowych, w pozycji para do grupy azo grupy funkcyjne o charakterze π-elektronodonorowym lub π-elektronoakceptorowym. Zbadano zdolność kompleksowania jonów metali przez te korony, w roztworze, metodą spektrofotometrii UV-vis. Ustalono strukturę 19-członowego eteru...
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Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublikacjaIt 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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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Ball milling treatment of Mn3O4 regulates electron transfer pathway for peroxymonosulfate activation
PublikacjaHeterogeneous metal catalysts have attracted considerable interest in advanced oxidation processes (AOPs) for wastewater treatment by activating peroxymonosulfate (PMS). However, it remains challenging to the rational design of efficient reaction pathway for high-performance contaminants removal by regulating the inherent structure of metal oxides. Herein, a high-energy ball milling method was employed to modulate the electronic...
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublikacjaThe rational surface engineering of heterogeneous catalysts is of great significance in advanced oxidation processes (AOPs) for eliminating refractory contaminants but remains challenging. In this study, β-cyclodextrin modified Mn3O4 (Mn3O4@β-CD) was prepared through a mechanochemical approach for peroxymonosulfate (PMS) activation, which achieved efficient bisphenol A (BPA) removal via electron transfer process (ETP). The reactive...
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TIME-OF-FLIGHT DIFFERENTIAL ELECTRON SCATTERING FROM MOLECULAR TARGETS: BENCHMARK CROSS SECTIONS
PublikacjaWe report time-of-flight differential cross section (DCS) measurements for the electron impact excitation transition in H2. In this work, agreement between available theory and experiment is excellent overall, and marks a transition in electron molecule scattering where differential scattering of excitation is found to be in such precise agreement. We also prove that the newly built apparatus can be used for accurate measurement...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublikacjaAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Injection of charge into the archetype organics hole transporting material TPD at the electrical contacts with ITO and Al
PublikacjaW pracy zaprezentowano dokładną analizę charakterystyk polowo-prądowych jednowarstwowych układów kwarc/ITO/TPD/Al oraz kwarc/Al1/TPD/Al2, zawierających próżniowo naparowane warstwy pochodnej diaminy (TPD) używane powszechnie jako materiał przewodzący dziury w organicznych diodach elektroluminescencyjnych. Prądy są zdominowane przez iniekcję dziur niezależnie od polaryzacji kontaktów elektrycznych. Oprócz oczywistej asymetrii w...
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Injection of charge into the archetype organic hole transporting material TPD at the electrical contacts with ITO and Al
PublikacjaW pracy opisano mechanizm przewodnictwa ciemnego w układzie ITO/warstwa TPD/Al oraz Al/warstwa TPD/Al, gdzie TPD oznacza dwaminę powszechne stosowaną jako transporter dziur w organicznych diodach EL.
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Investigating the potential of CuSCN as hole transport layer for perovskite solar cells for applications in indoor photovoltaics
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Dipole and Coulomb Forces in Electron Capture Dissociation and Electron Transfer Dissociation Mass Spectroscopy
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Total cross section for low-energy electron scattering from formic acid, (HCOOH), molecules
PublikacjaTotal cross section (TCS) for low-energy electron scattering from formic acid molecules has been measured using electrostatic electron spectrometer working in linear transmission mode. Two local maxima centered around 1.7 eV and 7.8 eV have been observed and associated with resonant scattering processes.
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublikacjaWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublikacjaThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Electron Technology – ELTE 2013
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Electron scattering on C3H6 isomers
PublikacjaZmierzono całkowity przekrój czynny na rozproszenie elektronów na dwóch izomerach strukturalnych węglowodoru C3H6 dla energii 0.5-370 eV. Wykorzystano spektometr pracujący w oparciu o liniową metodę transmisyjną. Zaobserwowano wyraźny efekt izomeryczny. Uzyskane wyniki porównano z wcześniejszymi danymi eksperymentalnymi oraz obliczeniami.
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Electron-difusion coefficiens in N2O
PublikacjaW pracy przedstawiono wyniki pomiarów stosunku współczynników dyfuzji poprzecznych i podłużnych do ruchliwości i prędkość dryfu elektronów jako funkcję zredukowanego pola elektrycznego w N2O. Współczynniki dyfuzji wyznaczono stosując metodę Towsenda-Huxleya; prędkość dryfu otrzymano używając techniki Bradbury-Nielsen. Całkowitych i częściowych przekrojów czynnych użyto do obliczenia współczynników metodą numeryczną.
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TOTAL CROSS SECTION MEASUREMENTS FOR ELECTRON SCATTERING ON METHYL FORMATE (HCOOCH3) MOLECULE: METHYLATION EFFECT
PublikacjaWe present the absolute total cross section (TCS) for electron scattering from the methyl formate (HCOOCH3) molecule measured in the 10-300 eV energy range, with electrostatic electron spectrometer working in the linear transmission mode. Comparison of TCS for the HCOOCH3 molecule with that measured earlier for the formic acid (HCOOH) compound manifests the methylation effect i.e. the response of the electron scattering dynamics...
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The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid
PublikacjaIn this paper, we show the influence of the chemical structure of four different conformers on the secondary electron emission and backscattering of an electron beam from a gel of methacrylic acid. The conformers have different permanent dipole moments, which determines the cross sections for elastic collisions with electrons. The cross sections are used in Monte Carlo simulations of an electron beam, which enters the gel of methacrylic...
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublikacjaCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Electron Scattering on X(CH3)4 Molecules: Applicability of Simple Additivity Rule and Role of Methylation
PublikacjaTo investigate influence of target methylation (substitution of a hydrogen atom by methyl group) on electron-collision processes we compare absolute total cross sections for XH4 and X(CH3)4 molecules, where X is Si and Ge, respectively. We also compare experimental TCSs energy dependencies with estimated data obtained using simple formula and TCSs for methyl group and those for SiH4 and GeH4. Electron-scattering TCSs for mentioned...
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Electric field effect on luminescence, and photoconduction in electron donor - electron acceptor organic solid films
PublikacjaZaobserwowano silne wygaszenie fotoluminescencji (80%) i duże fotoprądy (1mA/cm2) w układzie dendrymer aminowy m-MTDATA (donor elektronu) : pochodna fenantroliny BPT (akceptor elektronu) niedomieszkowanym oraz zawierającym domieszkę w postaci organicznego kompleksu platyny PtL2Cl. W interpretacji wyników uwzględniono elektrycznopolową dysocjację singletowych ekscypleksów m-MTDATA:BPT i trypletowych ekscypleksów m-MTDATA : PtL2Cl...
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Analysis of metals in air particles from Gdańsk and London with EDX/EDS detectors in electron microscope
PublikacjaElectron microscopy with energy dispersive X-ray spectrometry (EDX/EDS) is the example of non-destructive analytical method for surface elemental analysis, with a potential detection limit of 0.1-0.5 wt.% for most elements. A spatial resolution <10 nm can be achieved using this technique, which provides a basis for the generation of quantitative and qualitative elemental data for individual particles. In order to obtain quantitative...
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Electromodulation of fluorescence in hole-transporting materials for organic light-emitting diodes. Part II: Straburst amines
PublikacjaPraca jest kontynuacją artykułu, który został opublikowany wChem. Phys. vol. 256 (2000) s. 351-362. Zaobserwowano silne wygaszenie fluorescencji w dendrymerach aminowych zbudowanych na bazie trifenyloaminy. Efekt ten został przypisany rozpadowi stanów emitujących światło pod działaniem silnego pola elektrycznego.
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Experimental investigation on the effect of dry and multi-jet cryogenic cooling on the machinability and hole accuracy of CFRP composites
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Electron-impact ionization of fluoromethanes – Review of experiments and binary-encounter models
PublikacjaExperiments and recommended data on electron-impact ionization of methane and fluoromethanes (CH3F, CH2F2, CHF3, CF4) are reviewed and compared with binary-encounter models (Gryzinski’s, ´ Deutsch and Märk’s, and Kim and Rudd’s). A good agreement between recent experiments and the two latter classical-like models is shown. Kim and Rudd’s model (calculated presently in the restricted HartreeFock 6-31**G orbital basis) predicts well...
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The Progress in Electron Microscopy Studies of Particulate Matters to Be Used as a Standard Monitoring Method for Air Dust Pollution
PublikacjaThe present article reviews studies on air solid particles carried out with the use of electron microscopy. Particle analysis combining scanning and transmission electron microscopy (SEM and TEM) can be used to derive size-resolved information of the composition, mixing state, morphology, and complex refractive index of atmospheric aerosol particles. It seems that electron microscopy is more widely used in atmospheric particulate...
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Diphosphinoboranes as Intramolecular Frustrated Lewis Pairs: P–B–P Bond Systems for the Activation of Dihydrogen, Carbon Dioxide, and Phenyl Isocyanate
PublikacjaHerein, we present the first example of the activation of small molecules by P-B-P bond systems. The reactivity study involves reactions of two selected diphosphinoboranes, (tBu2P)2BPh (1’) and (Cy2P)2BNiPr2 (2), that differ in terms of their structural and electronic properties for the activation of dihydrogen, carbon dioxide, and phenyl isocyanate. Diphosphinoborane 1’ activates H2 under very mild conditions in the absence of...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Effect of Electron Beam Power Density on the Structure of Titanium Under Non-Vacuum Electron-Beam Treatment
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Effects of different external carbon sources and electron acceptors on interactions between denitrification and phosphorus removal in BNR processes
PublikacjaThe effects of two different external carbon sources (acetate, ethanol) and electron acceptors (dissolved oxygen, nitrate and nitrite) were investigated under aerobic and anoxic conditions with non-acclimated process biomass from a full-scale biological nutrient removal activated sludge system. When acetate was added as an external carbon source, phosphate release was observed even in the presence of electron acceptors. The release...
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Electron collisions with ethylene oxide molecules
PublikacjaZmierzono całkowite przekroje czynne na rozproszenie elektronów na drobinach tlenku etylenu w zakresie energii od 0.7 do 400 eV. Obliczono przekroje czynne na zderzenia sprężyste oraz przekroje czynne na jonizację. Otrzymane wyniki obliczeń są zgodne z wynikami eksperymentalnymi w pokrywającym się przedziale energii zderzenia. Wyniki uzyskane dla tlenku etylenu porównano z przekrojami czynnymi dla jego izoelektronowego odpowiednika...
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POLFEL - Free Electron Laser in Poland
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Amino acid formation by electron irradiation
PublikacjaW artykule zaprezentowano procedurę badania reakcji indukowanych przez niskoenergetyczne elektrony w mieszanych warstwach molekularnych CH3COOD:NH3.
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Computational studies of a hypocycloidal electron monochromator
PublikacjaPrzeprowadzono badania hipocykolidalnego monochromatora elektronów, wykorzystując komputerowy program optyki elektronowej CPO-3D. Obliczono i przeprowadzono analizę torów elektronów w wiązce o zadanym rozmyciu kątowym przechodzącej przez monochromator. Ustalono, że rozdzielczość energetyczna monochromatora jest wyższa niż odpowiadającego mu monochromatora trochoidalnego.
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Measurements of electron scattering in the backward direction
PublikacjaPrzedstawiono wyniki badań rozproszenia elektronów na atomach i cząsteczkach przeprowadzonych w zakresie dużych kątów rozproszenia do 180o.
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Relativistic electron beams above thunderclouds
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Electron Elastic Collisions with C3F6 Molecule
PublikacjaObliczono różniczkowy i scałkowany przekrój czynny na zderzenia elektronu z molekułą C3F6 w zakresie średnich i wysokich energii (50-1000eV). Obliczenia wykonano stosując metodę atomów niezależnych. Stwierdzono dobrą zgodność z wynikami oszacowanymi na podstawie eksperymentu.
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Electron Transport in Naphthalene Diimide Derivatives
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Measurements of electron drift velocity in OCS
PublikacjaWykonano pomiary prędkości dryfu elektronów w funkcji zredukowanego pola elektrycznego E/N. Wyniki tych pomiarów porównano z wynikami pomiarów w CO2 i N2O.