Electron Energy Research Articles

Electron-induced hydrogen desorption from selected polymers (polyacetylene, polyethylene, polystyrene, and polymethyl-methacrylate)

Elastic Peak Electron Spectroscopy, abbreviated as EPES, involves the analysis of the line shape found in the elastic peak. The reduction in the energy of electrons within the elastic peak is a result of energy being transferred to the target atoms, a phenomenon referred to as recoil energy. EPES distinguishes itself among electron spectroscopies by its unique ability to identify hydrogen in polymers and hydrogenated carbon-based materials. This distinctiveness is particularly notable because lighter elements demonstrate more pronounced energy shifts. The detection of hydrogen in polymers entails measuring the energy difference between the positions of the carbon (or carbon+oxygen) elastic peak and the hydrogen elastic peak. This difference tends to increase as the kinetic energy of the incident electrons rises. Concerning hydrogen peak intensity, electron beam-induced damage represents a critical aspect of EPES, as hydrogen desorbs under electron irradiation. In this study, the Monte Carlo method was employed to simulate EPES spectra involving electrons interacting with polyacetylene (C2H2), polyethylene (C2H4), polystyrene (C8H8), and polymethyl-methacrylate (C5H8O2) and to evaluate electron-induced hydrogen desorption from these polymers.

Apoptotic efficiency of Dicoma anomala biosynthesized silver nanoparticles against A549 lung cancer cells

Lung cancer is one of the common forms of cancer that affects both men and women and is regarded as the leading cause of cancer related deaths. It is characterized by unregulated cell division of altered cells within the lung tissues. Green nanotechnology is a promising therapeutic option that is adopted in cancer research. Dicoma anomala (D. anomala) is one of the commonly used African medicinal plant in the treatment of different medical conditions including cancer. In the present study, silver nanoparticles (AgNPs) were synthesized using D. anomala MeOH root extract. We evaluated the anticancer efficacy of the synthesized AgNPs as an individual treatment as well as in combination with pheophorbide a (PPBa) mediated photodynamic therapy (PDT) in vitro. UV–VIS spectroscopy, high-resolution transmission electron microscopy (HR-TEM), Scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) was used to confirm the formation of D.A AgNPs. Post 24 h treatment, A549 cells were evaluated for ATP proliferation, morphological changes supported by LIVE/DEAD assay, and caspase activities. All experiments were repeated four times (n=4), with findings being analysed using SPSS statistical software version 27 set at 0.95 confidence interval. The results from the present study revealed a dose-dependent decrease in cell proliferation in both individual and combination therapy of PPBa mediated PDT and D.A AgNPs on A549 lung cancer cells with significant morphological changes. Additionally, LIVE/DEAD assay displayed a significant increase in the number of dead cell population in individual treatments (i.e., IC50’s treated A549 cells) as well as in combination therapy. In conclusion, the findings from this study demonstrated the anticancer efficacy of green synthesized AgNPs as a mono-therapeutic drug as well as in combination with a chlorophyll derivative PPBa in PDT. Taken together, the findings highlight the therapeutic potential of green nanotechnology in medicine.

Multiband Nonthermal Radiative Study of PeVatron Candidate Pulsar Wind Nebula HESS J1849-000

Pulsar wind nebula HESS J1849-000 is one of the sources that may emit PeV γ-ray photons based on the recent measurement by the Tibet Air Shower Array and the Large High Altitude Air Shower Observatory. We use a time-dependent model to investigate the nonthermal radiative properties of HESS J1849-000. Observed multiband data are produced well by relativistic leptons through synchrotron radiation and inverse Compton processes, and the particle transport and cooling processes are analyzed. Our results show that the particle adiabatic loss dominates over the synchrotron loss and inverse Compton losses, and the particle advection dominates over diffusion for the low-energy band. On the other hand, the particle synchrotron loss dominates over the adiabatic loss and inverse Compton losses, and the diffusion dominates over advection for the high-energy band. Furthermore, particle transport would be playing a significant role in the low-energy band, whereas the particle cooling processes may play a more important role in the high-energy band. The current diffusion coefficient 3.4 × 1026 cm2 s−1 at an electron energy of 1 TeV is derived, which implies a slow diffusion mechanism may occur within the nebula. More importantly, our model suggests that the particle's maximum energy is 3.6 PeV, which makes HESS J1849-000 a PeVatron candidate.

Reduced-Dimensionality Al Nanocrystals: Nanowires, Nanobars, and Nanomoustaches.

Aluminum nanocrystals created by catalyst-driven colloidal synthesis support excellent plasmonic properties, due to their high level of elemental purity, monocrystallinity, and controlled size and shape. Reduction in the rate of nanocrystal growth enables the synthesis of highly anisotropic Al nanowires, nanobars, and singly twinned "nanomoustaches". Electron energy loss spectroscopy was used to study the plasmonic properties of these nanocrystals, spanning the broad energy range needed to map their plasmonic modes. The coupling between these nanocrystals and other plasmonic metal nanostructures, specifically Ag nanocubes and Au films of controlled nanoscale thickness, was investigated. Al nanocrystals show excellent long-term stability under atmospheric conditions, providing a practical alternative to coinage metal-based nanowires in assembled nanoscale devices.

Velocity Map Imaging Photoelectron Spectroscopy of Silver Iodide Aerosol Particles.

The valence band electronic structure of isolated silver iodide nanoparticles (AgI NP) was investigated by vacuum-ultraviolet aerosol photoelectron spectroscopy using the velocity map imaging technique (VUV VMI-PES). The VUV VMI-PES results were obtained for polydisperse aerosol produced by aggregation of hydrocolloid of silver iodide particles 8 - 15 nm in size. The ionization energy of the AgI particles was found to be 6.0 ± 0.1 eV with respect to the vacuum level. The DFT calculations showed that the main contribution to the density of AgI electronic states in the valence region originates from I 5p orbitals. The dependence of the asymmetry parameter on the electron energy showed that the value of the characteristic energy loss of excited photoelectrons was 2.7 eV, which coincided with the band gap of the nanomaterial.

Curvature correction factors for the independent verification of monitor units of electron treatment plans calculated in Eclipse.

Electron beam dosimetry is sensitive to the surface contour of the patient. Over 10% difference between Treatment Planning System (TPS) and independent monitor-unit (IMU) calculations have been reported in the literature. Similar results were observed in our clinic between Radformation ClearCalc IMU and Eclipse TPS electron Monte Carlo (eMC) algorithm (v.16.1). This paper presents data measured under 3D printed spherical and cylindrical phantoms to validate the eMC algorithm in the presence of curved geometries. Measurements were performed with multiple detectors and compared to calculations made in Eclipse for the 6, 9 and 12MeV electron energies. This data is used to create curvature correction factors (CCFs), defined as the ratio of the detector reading with the curved-surface phantom to a flat phantom at the same depth. The mean difference between the TPS calculated and measured CCFs using the NACP, Diode E, microSilicon, and microDiamond detectors were 1.3, 0.9, 0.7 and 0.7% respectively, with maximum differences of 4.5, 2.3, 1.9, and 1.8% respectively. Applying CCFs to previous failing patient IMU calculations improved agreement to the TPS. CCFs were implemented in our clinic for patient-specific IMU calculations with the assistance of a ESAPI script.

Forensic characteristics of damage caused by spherical striking elements of GMLRS MLRS type ammunition

ABSTRACT The study of forensic aspects of blast injury caused by the damaging elements of GMLRS-type MLRS ammunition is currently of particular interest due to the high frequency of occurrence and the lack of diagnostic criteria. BACKGROUND: to study the morphological features of damage caused by spherical submunitions of the GMLRS type ammunition for MLRS in conjunction with electron microscopy and elemental analysis of the submunitions. AIM: The study was carried out using visual, metric methods, X-ray examination, scanning electron microscopy with energy-dispersive X-ray analysis using a Hitachi FlexSem1000 II scanning electron microscope and a Bruker Quantax 80 energy-dispersive X-ray spectrometer. RESULTS: An analysis of the morphological features of damage caused by the damaging elements of GMLRS type ammunition for MLRS was carried out. Scanning electron microscopy and energy dispersive analysis made it possible to identify the characteristic chemical composition of the damaging elements. X-ray examination of the bodies of the dead reveals characteristic round shadows of metallic density. CONCLUSION: The established morphological features of external and internal damage caused by spherical damaging elements of ammunition of the GMLRS MLRS type, in combination with electron microscopy and elemental analysis, make it possible to establish with high reliability the damage to the human body caused by the striking elements of the specified type of ammunition when solving such expert problems.

First-principles screening of XSbF3 (X = Ba and Ra) fluoroperovskites: an insight into structural, optoelectronic and thermal properties

This work presents a computational study of the physical properties such as structural, electronic, optical and thermal properties of XSbF3 (X = Ba and Ra) fluoroperovskites. The calculations were performed using the density functional theory (DFT) calculations in conjunction with Quantum Espresso code. The stability of the crystal structure XSbF3 compounds is determined by binding energy (Eb) computations. The Eb values for BaSbF3 and RaSbF3 compounds are −19.25 and −20.04eV respectively, indicating that both studied compounds are stable. The optimized lattice constants for BaSbF3 and RaSbF3 compounds are 5.03 and 5.06 Å, respectively. The evaluation of electronic properties is conducted by electronic band structure, total density of states (DOS), and partial density of states (PDOS). It is observed from the PDOS plots that the p-states of Sb and F whereas the d-states of X atoms have the major contribution in the formation of the band structure. Various optical properties have been computed and compared. The static value of ε10 highlights the metallic nature of the studied compounds while RaSbF3 stands out for having the highest recorded value of ε20. The maximum nω values for BaSbF3 and RaSbF3 are 8.46 and 6.86 respectively indicating their potential for photoelectric applications. Furthermore when examining the properties it is evident that the BaSbF3 compound stands out as a material for energy storage because of its higher electron energy at 2.36 KJ/N.mol and lower electron free energy of −2.55 KJ/N.mol compared to the RaSbF3 compound. On the other hand, the RaSbF3 compound is an efficient material for catalysis due to its high ability to absorb heat energy from the external source, as compared to the BaSbF3 compound. This study is the first computational investigation of XSbF3 (X is Ba and Ra) compounds, which provides valuable insights into the physical properties of sb-based fluroperovskites and their potential applications.

Highly tunable ground and excited state excitonic dipoles in multilayer 2H-MoSe2

The fundamental properties of an exciton are determined by the spin, valley, energy, and spatial wavefunctions of the Coulomb-bound electron and hole. In van der Waals materials, these attributes can be widely engineered through layer stacking configuration to create highly tunable interlayer excitons with static out-of-plane electric dipoles, at the expense of the strength of the oscillating in-plane dipole responsible for light-matter coupling. Here we show that interlayer excitons in bi- and tri-layer 2H-MoSe2 crystals exhibit electric-field-driven coupling with the ground (1s) and excited states (2s) of the intralayer A excitons. We demonstrate that the hybrid states of these distinct exciton species provide strong oscillator strength, large permanent dipoles (up to 0.73 ± 0.01 enm), high energy tunability (up to ~200 meV), and full control of the spin and valley characteristics such that the exciton g-factor can be manipulated over a large range (from −4 to +14). Further, we observe the bi- and tri-layer excited state (2s) interlayer excitons and their coupling with the intralayer excitons states (1s and 2s). Our results, in good agreement with a coupled oscillator model with spin (layer)-selectivity and beyond standard density functional theory calculations, promote multilayer 2H-MoSe2 as a highly tunable platform to explore exciton-exciton interactions with strong light-matter interactions.

Suzuki segregation behavior and mechanism in a Co–Cr–Fe–Ni–Mo high-entropy alloy

The knowledge of the Suzuki effect in compositionally complex CoNiCrMo and CoCrFeNiMo solid-solution alloys is rather limited. In this study, the enrichment of Co and Mo atoms and depletion of Cr, Fe, and Ni atoms were determined within the region of four atomic layers at stacking faults (SFs) in a typical quinary concentrated solid-solution alloy (Co0.95Cr0.8Fe0.25Ni1.8Mo0.475) by using scanning transmission electron microscopy and energy dispersive X-ray spectroscopy. To better understand the Suzuki effect, two-stage first-principles Monte Carlo (MC) simulations each with up to 3000 trial swap steps were performed. First, the simulation results suggested the strong tendency of Mo segregation at the second nearest neighbor (2NN) sites at SFs. Nonetheless, as a further Mo segregation induces the excessively large lattice distortion and intrinsic strain energy, it would be inhibited. It was deemed one potential reason for the finite Mo segregation. Second, the simulations revealed the origin and formation of co-segregation of Co and Mo atoms. The segregated Mo atoms at the 2NN sites attract Co atoms, forming the local D019-type ordering at SFs. As a consequence, the stacking fault energy can reach a strongly negative value below −500 mJ/m2. Meanwhile, the Co/Mo co-segregated SFs have high stability against phase transitions to intermetallics and martensite at 773 K.

Selective separation of lead (II) from foodstuffs and environmental samples by adsorption onto modified truffle peels with nanoparticles [TPs/TiO2(NP)] as a novel biomass

ABSTRACT This study aims to examined truffle peel powder modified with nanoparticles [TPs/TiO2(NP)] as a solid adsorbent for the removal of lead ions Pb(II) from environmental media and foodstuffs. The characterisation of TPs/TiO2(NP) was studied by a Fourier-transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and energy dispersive X-ray (EDX). Through the application of several adsorption isotherm models, the Langmuir at 25°C revealed to be most appropriate, having the highest R2 (0.961), and the maximum Pb(II) adsorption capacity was found 0.908 mg g−1. In addition, the various kinetics models were applied, and the data was well-fitted by the pseudo-second order kinetics model (R2 = 0.9997). Thermodynamic parameters indicated that the technique of adsorption had been endothermic (∆H = 30.79 J mol−1), The value of ΔG indicates the spontaneous and physical nature (- 29.26 KJ mol−1) and the positive value of ∆S indicates a moderate step of sorption of the Pb(II) complex ion associate (98.32 J). Foodstuffs (energy drinks and ice pops) and environmental samples (tap water) were successfully confirmed with a good recovery.

Photo-Physical Characteristics of Janus Green B in Different Solvents and its Interaction Mechanism with Silver Nanoparticles.

This work explores the effects of solvent polarity on Janus Green B (JGB) photophysical properties. The Lippert-Mataga, Billot, and Ravi equations were utilized to calculate the singlet-state excited dipole moments (µe) and ground state dipole moments (µg) using absorption and fluorescence spectra analyses. The results showed an increase in the former, which is suggestive of electronic structural alterations upon excitation. Analysis of fluorescence quantum yield values revealed that JGB's environment had an impact on its emission characteristics; it was particularly sensitive to silver nanoparticles, suggesting possible interactions. While simulations of electron density, electrostatic potential, and energy gap (Eg) helped to understand the electronic structure of JGB, theoretical absorption spectra produced by Time Dependent Density Function Theory (TD-DFT) calculations offered insights into electronic transitions during absorption. To sum up, the present study contributes to our comprehension of the molecular behavior of JGB in various solvents by elucidating the intricate relationship among solvent polarity, molecular environment, and interactions with silver nanoparticles. Additionally, theoretical computations support the interpretation of experimental results.

Theory of electric field effect on the optical properties of elliptical quantum wire

In the approximation of the effective mass, the electric field effect on the optical properties of the elliptical quantum wire (EQW) was investigated. In an elliptic coordinate system, exact solutions of the Schrödinger equation for an electron in an EQW with hard walls are obtained. The electron energy spectrum consists of even and odd energies states, whose wave functions are expressed through even and odd Mathieu functions of the first kind. Using these solutions, an orthonormal basis was constructed. The influence of the electric field perpendicular to the quantum wire and parallel to the ellipse’s major axis on the energies and oscillator strength of quantum electron transitions was calculated using the matrix method. It is shown that the ellipticity of the quantum wire leads to the removal of the degeneracy of the energy spectrum of quasiparticles since the energies of even and odd electronic states depend differently on the ratio of the EQW semi-axes. The electron’s ground state is the even state, which is nondegenerate because there is no corresponding odd state. The electric field has a greater effect on energy states with a lower value of the magnetic quantum number. As the electric field strength increases, the energies of even and odd states shift to the region of lower energies.

Spectroscopic measurement of atmospheric-pressure non-equilibrium Ar plasma using continuum and line spectra

A robust method for determining the electron temperature and density of atmospheric-pressure non-equilibrium argon plasmas is reported. The methodology is based on the analysis of the continuum and line spectra of the plasma. Assuming that the electron energy distribution function (EEDF) is expressed as a two-temperature generalized EEDF (GEEDF), the gamma value of the GEEDF is determined through a grid search of the continuum spectrum analysis given by the bremsstrahlung process, which minimizes the mean-squared logarithmic error (MSLE). In addition, the relationship between the gamma value and the electron temperature and density is determined. Utilizing this relationship, the electron temperature and density are determined by minimizing the MSLE between the excited-state densities obtained from the line spectrum analysis and numerically calculated using the collisional-radiative model. This methodology yielded results that satisfied both continuum and line spectrum analyses. In addition, the same analysis was conducted either by continuum spectrum analysis or by line spectrum alone to compare the results.

Coulomb effect on elastic electron scattering by hydrogen atom and hydrogen-like ions in their metastable 2s state in the 511–770 KeV energy range

This paper reports on a study investigating the elastic scattering of hydrogen atoms in their metastable state (2S-2S) when subjected to electron impact, with a focus on the Coulomb effect within an energy range spanning from 511 keV to 770 keV . The analysis employs semi-relativistic wave functions to depict the hydrogen states. The validity of using Darwin wave functions is confirmed by ensuring that the condition Zα << 1 is met, where α represents the structure constant. Both incident and scattered free electrons are described using Dirac spinors. Notably, the semi-relativistic calculations converge with those of the non-relativistic case at low electron velocities. Additionally, in the presence of the Coulomb effect, the electron wave function is approximated by a Dirac function modulated by the confluent hypergeometric function. The paper presents the relativistic differential cross-section (RDCS) as a function of the final scattering angle for various energies of the incident electron, revealing intriguing insights into diffusion probabilities in specific directions. Moreover, the impact of the atomic number Z on the elastic scattering of hydrogen atoms and hydrogen-like ions by electron impact under the influence of the Coulomb effect is thoroughly examined.

In vitro study of structural and chemical changes in two reciprocating files after multiple reuses and sterilisation.

To use scanning electron microscopy and energy dispersive X-ray spectroscopy to evaluate the metallurgical-chemical changes of WaveOne Gold (WOG) and R-Motion (RM), after multiple uses. The instruments were divided into groups (n = 8): WOG and RM-control groups, new instruments; WOG1 and RM1; WOG2 and RM2; WOG3 and RM3 after instrumentation of 1, 2 or 3 molars, respectively. Burrs occurred mainly in the control group and after the first use. The RM files were found to have a higher nickel content, which increased during reuse, and a decrease in oxygen content with increasing reuse, in addition to calcium impregnation, which occurred in greater amounts in the corrosion areas in the WOG files. The presence of topographic and chemical changes was demonstrated, indicating that caution should be taken when reusing endodontic instruments to avoid fractures.

Experimental and theoretical studies on the compatibility of DNTF and typical hydrocarbon polymer binders.

3,4-bis(3-nitrofurazan-4-yl) furoxan (DNTF) is one of the third-generation energetic compounds with excellent comprehensive properties, which can be added to polymer bonded explosive (PBX) to improve energy levels and regulate sensitivity, so the compatibility of DNTF with other components in PBX, especially the binder, is the first question. Herein, two typical hydrocarbon polymers commonly used in PBX, which are hydroxyl-terminated polybutadiene (HTPB) and polyisobutylene (PIB), were selected as the binder, and the compatibility of HTPB and PIB with DNTF was investigated by differential scanning calorimetry (DSC), the vacuum stability test (VST), and in situ infrared spectroscopy (in situ IR). The results of compatibility experiments were verified by using the binding energy and solubility parameter criteria in molecular dynamics (MD). Experimental and MD simulation results showed that DNTF could be compatible with PIB but incompatible with HTPB. The frontier molecular orbital theory in quantum chemistry (QC) was adopted to explore the frontier orbital electron distribution and energy levels of DNTF/HTPB and DNTF/PIB composite systems to better understand the microscopic compatibility mechanism. The compatibility results of the two composite systems were explained from the perspective of electron transfer. All these can deduce that a hydrocarbon polymer binder with a saturated carbon-hydrogen bond at the end of the molecular chain has good compatibility with DNTF, compared with a hydroxyl group, which has bad compatibility with DNTF.

Self-consistent calculation of the optical emission spectrum of an argon capacitively coupled plasma based on the coupling of particle simulation with a collisional-radiative model

Abstract We report the development of a computational framework for the calculation of the optical emission spectrum of a low-pressure argon capacitively coupled plasma, which is based on the coupling of a particle-in-cell / Monte Carlo collision simulation code with a diffusion-reaction-radiation code for Ar I excited levels. In this framework, the particle simulation provides the rates of the direct and stepwise electron-impact excitation and electron-impact de-excitation for 30 excited levels, as well as the rates of electron-impact direct and stepwise ionization. These rates are used in the solutions of the diffusion equations of the excited species in the second code, along with the radiative rates between a high number of Ar I transitions. The calculations also consider pooling ionization, quenching reactions, and radial diffusion losses. The electron energy distribution function is computed self-consistently, and the calculations reproduce reasonably well the experimentally measured optical emission spectrum of a symmetric capacitively coupled plasma source operated at 13.56MHz with 300V peak-to-peak voltage, in the 2-100Pa pressure range. The accuracy of the approach appears to be limited by the one-dimensional nature of the model, the treatment of the radiation trapping through the use of escape factors, and the effects of radiative cascades from higher excited levels not taken into account in the model.

Field-Emission Energy Distribution of Carbon Nanotube Film and Single Tube under High Current.

A narrow energy distribution is a prominent characteristic of field-emission cold cathodes. When applied in a vacuum electronic device, the cold cathode is fabricated over a large area and works under a high current and current density. It is interesting to see the energy distribution of the field emitter under such a working situation. In this work, the energy distribution spectra of a single carbon nanotube (CNT) and a CNT film were investigated across a range of currents, spanning from low to high. A consistent result indicated that, at low current emission, the CNT film (area: 0.585 mm2) exhibited a narrow electron energy distribution as small as 0.5 eV, similar to that of a single CNT, while the energy distribution broadened with increased current and voltage, accompanied by a peak position shift. The influencing factors related to the electric field, Joule heating, Coulomb interaction, and emission site over a large area were discussed to elucidate the underlying mechanism. The results provide guidance for the electron source application of nano-materials in cold cathode devices.

Unveiling Variations in Electronic and Atomic Structures Due to Nanoscale Wurtzite and Zinc Blende Phase Separation in GaAs Nanowires.

Phase separation is an intriguing phenomenon often found in III-V nanostructures, but its effect on the atomic and electronic structures of III-V nanomaterials is still not fully understood. Here we study the variations in atomic arrangement and band structure due to the coexistence of wurtzite (WZ) and zinc blende (ZB) phases in single GaAs nanowires by using scanning transmission electron microscopy and monochromated electron energy loss spectroscopy. The WZ lattice distances are found to be larger (by ∼1%), along both the nanowire length direction and the perpendicular direction, than the ZB lattice. The band gap of the WZ phase is ∼20 meV smaller than that of the ZB phase. A shift of ∼70 meV in the conduction band edge between the two phases is also found. The direct and local measurements in single GaAs nanowires reveal important effects of phase separation on the properties of individual III-V nanostructures.