Differential cross sections for excitation to the n=2 states of atomic helium by electrons were computed for incident energies in the range from 30 to 50 eV. The n=2 states excitation cross sections are calculated with the use of closecoupling expansion with a non-orthogonal Laguerre-L2 basis function. The present status of agreement between theory and experiment for excitation of the ground-state was quite satisfactory.
We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15-250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.
A low-energy plasma focus device was used as an electron beam source. A technique was developed to simultaneously measure the electron beam intensity and energy. The system was operated in Argon filling at an optimum pressure of 1.7 mbar. A Faraday cup was used together with an array of filtered PIN diodes. The beam-target X-rays were registered through X-ray spectrometry. Copper and lead line radiations were registered upon usage as targets. The maximum electron beam charge and density were estimated to be 0.31 μC and 13.5 × 10(16)/m(3), respectively. The average energy of the electron beam was 500 keV. The high flux of the electron beam can be potentially applicable in material sciences.
A variety of imine derivatives have been synthesized via Suzuki cross coupling of N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)methanimine with various arylboronic acids in moderate to good yields (58-72%). A wide range of electron donating and withdrawing functional groups were well tolerated in reaction conditions. To explore the structural properties, Density functional theory (DFT) investigations on all synthesized molecules (3a-3i) were performed. Conceptual DFT reactivity descriptors and molecular electrostatic potential analyses were performed by using B3LYP/6-31G(d,p) method to explore the reactivity and reacting sites of all derivatives (3a-3i).
Serbuk sekam padi (SP) merupakan serabut semula jadi yang boleh bertindak sebagai pengisi penguat dalam adunan getah asli termoplastik (TPNR) NR/HDPE selepas permukaan serbuk dimodifikasikan sewajarnya. Rawatan serbuk SP merangkumi pra-rawatan dengan 5% larutan natrium hidroksida (NaOH), rendaman dalam larutan getah asli cecair (LNR) dan dedahan SP tersalut LNR kepada sinaran electron (EB). Komposit TPNR/SP disediakan secara pengadunan leburan dalam pengadun dalaman pada keadaan yang telah ditentupastikan terlebih dahulu. Morfologi komposit yang dianalisis menggunakan mikroskop elektron imbasan (SEM), menunjukkan taburan zarah pengisi SP termodifikasi adalah homogen dan kewujudan interaksi matriks-zarah. Komposit terisi SP terubahsuai LNR-EB menunjukan perubahan sifat mekanik yang ketara. Nilai maksimum tegasan dan kekuatan impak adalah masing masing 6.7 MPa dan 13.2 kJ/cm2 pada dedahan 20 kGy dos EB, manakala modulus regangan adalah 79 MPa pada dos 30 kGy. Ini menunjukkan terdapat peningkatan interaksi berkesan antara-muka SP dan TPNR bagi SP terwat LNR pada dos 20-30kGy EB. Peningkatan dos EB pada SP tersalut LNR menyebabkan degradasi salutan NR dan meningkatakan interaksi antara zarah SP. Pengaglomerasian zarah SP akan berlaku dan menyebabkan serakan zarah dalam komposit menjadi tidak homogen.
The title imidazo[1,2-a] pyridine derivative, C13H8Br2N2, was synthesized via a single-step reaction method. The title mol-ecule is planar, showing a dihedral angle of 0.62 (17)° between the phenyl and the imidazo[1,2-a] pyridine rings. An intra-molecular C-H⋯N hydrogen bond with an S(5) ring motif is present. In the crystal, a short H⋯H contact links adjacent mol-ecules into inversion-related dimers. The dimers are linked in turn by weak C-H⋯π and slipped π-π stacking inter-actions, forming layers parallel to (110). The layers are connected into a three-dimensional network by short Br⋯H contacts. Two-dimensional fingerprint plots and three-dimensional Hirshfeld surface analysis of the inter-molecular contacts reveal that the most important contributions for the crystal packing are from H⋯Br/Br⋯H (26.1%), H⋯H (21.7%), H⋯C/C⋯H (21.3%) and C⋯C (6.5%) inter-actions. Energy framework calculations suggest that the contacts formed between mol-ecules are largely dispersive in nature. Analysis of HOMO-LUMO energies from a DFT calculation reveals the pure π character of the aromatic rings with the highest electron density on the phenyl ring, and σ character of the electron density on the Br atoms. The HOMO-LUMO gap was found to be 4.343 eV.
The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the 'gas-phase' assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations.
A vacuum ultraviolet (VUV) field emission lamp was developed by using a neodymium ion doped lutetium fluoride (Nd(3+) : LuF3) thin film as solid-state phosphor and carbon nanofiber field electron emitters. The thin film was synthesized by pulsed laser deposition and incorporated into the lamp. The cathodoluminescence spectra of the lamp showed multiple emission peaks at 180, 225, and 255 nm. These emission spectra were in good agreement with the spectra reported for the Nd(3+) : LuF3 crystal. Moreover, application of an acceleration voltage effectively increased the emission intensity. These results contribute to the performance enhancement of the lamp operating in the VUV region.
Hydrogen produced from the photocatalytic splitting of water is one of the reliable alternatives to replace the polluting fossil and the radioactive nuclear fuels. Here, we provide unequivocal evidence for the existence of blue- and red-shifting O-H covalent bonds within a single water molecule adsorbed on the MgO surface as a result of asymmetric displacement polarizabilities. The adsorbed H-O-H on MgO gives rise to one weaker H-O bond, while the other O-H covalent bond from the same adsorbed water molecule compensates this effect with a stronger bond. The weaker bond (nearest to the surface), the interlayer tunneling electrons and the silver substrate are shown to be the causes for the smallest dissociative activation energy on the MgO monolayer. The origin that is responsible to initiate the splitting mechanism is proven to be due to the changes in the polarizability of an adsorbed water molecule, which are further supported by the temperature-dependent static dielectric constant measurements for water below the first-order electronic-phase transition temperature.
The paper presents the thermoluminescence (TL) response of strontium tetraborate glass subjected to electron irradiations at various Dy2O3 concentrations ranging from 0.00 to 1.00mol%. All glass samples exhibited single broad peak with maximum peak temperature positioned at 170-215°C. The optimum TL response was found at Dy2O3 concentration 0.75mol%. This glass showed good linearity and higher sensitivity for 7MeV compared to 6MeV electrons. Analysis of kinetic parameters showed that the glasses demonstrate second order kinetic.
An optical scanner system, which incorporates a He-Ne laser, photodiode detectors, and a platform for placing film, was built in the laboratory. The laser system operates at the green wavelength of 543.5 nm and functions as a scanning densitometer for measurement of optical changes in a film resulting from irradiation . The central axis electron depth dose of selected electron energies 10,12 and 14 MeV were analysed using Kodak X-Omat and Kodak Extended Dose Range (EDR2) films. The Kodak X-Omat film is routinely used for high-energy electron dose distributions in radiation therapy. The electron depth-dose measured with X-Omat film was found to agree well with standard depth-dose curves in water, obtained using an ion chamber. Conversely, the recently introduced Kodak EDR2 showed an energy dependence for electron beams, the percentage depth-dose curve shifting towards the surface for 12 and 14 MeV electron beams compared to that in water.
In this studies gamma and electron beam irradiation was used to treat textile waste water. Comparisons between both types of irradiation in terms of effectiveness to degrade the pollutants present in textile waste water were done. Prior to irradiation, the raw wastewater was diluted using distilled water to a target concentration of COD 400 mg/l. The sample was irradiated at selected doses between the ranges of 10 kGy to 100 kGy. The results showed that irradiation has significantly contributed in the reduction of the highly colored refractory organic pollutants. The COD removal at the lowest dose, 10 kGy was reduced to 390 mg/l for gamma and 400 mg/l for electron beam. Meanwhile, at the highest dose, 100 kGy, the COD was reduced to 125 mg/l for gamma and 144 mg/l for electron beam. The degree of removal is influenced by the dose introduced during the treatment process. As the dose increased, the higher the removal of organic pollutant was recorded. However, gamma irradiation is more effective although the differences are not significant between gamma and electron beam irradiation. On the other hand, other properties of the wastewater such as pH, turbidity, suspended solid, BOD and color also shows a gradual decrease as the dose increases for both types of irradiation.
This review briefly describes some of the techniques available for analysing surfaces and illustrates their usefulness with a few examples such as a metal and alloy. In particular, Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS) and laser Raman spectroscopy are all described as advanced surface analytical techniques. In analysing a surface, AES and XPS would normally be considered first, with AES being applied where high spatial resolution is required and XPS where chemical state information is needed. Laser Raman spectroscopy is useful for determining molecular bonding. A combination of XPS, AES and Laser Raman spectroscopy can give quantitative analysis from the top few atomic layers with a lateral spatial resolution of
The optimal functionalities of materials often appear at phase transitions involving simultaneous changes in the electronic structure and the symmetry of the underlying lattice. It is experimentally challenging to disentangle which of the two effects--electronic or structural--is the driving force for the phase transition and to use the mechanism to control material properties. Here we report the concurrent pumping and probing of Cu2S nanoplates using an electron beam to directly manipulate the transition between two phases with distinctly different crystal symmetries and charge-carrier concentrations, and show that the transition is the result of charge generation for one phase and charge depletion for the other. We demonstrate that this manipulation is fully reversible and nonthermal in nature. Our observations reveal a phase-transition pathway in materials, where electron-induced changes in the electronic structure can lead to a macroscopic reconstruction of the crystal structure.
Perovskite solar cells based on series of inorganic cesium lead bromide and iodide mixture, CsPbBr3-xI x , where x varies between 0, 0.1, 0.2, and 0.3 molar ratio were synthesized by two step-sequential deposition at ambient condition to design the variations of wide band gap light absorbers. A device with high overall photoconversion efficiency of 3.98 % was obtained when small amount of iodide (CsPbBr2.9I0.1) was used as the perovskite and spiro-OMeTAD as the hole transport material (HTM). We investigated the origin of variation in open circuit voltage, Voc which was shown to be mainly dependent on two factors, which are the band gap of the perovskite and the work function of the HTM. An increment in Voc was observed for the device with larger perovskite band gap, while keeping the electron and hole extraction contacts the same. Besides, the usage of bilayer P3HT/MoO3 with deeper HOMO level as HTM instead of spiro-OMeTAD, thus increased the Voc from 1.16 V to 1.3 V for CsPbBr3 solar cell, although the photocurrent is lowered due to charge extraction issues. The stability studies confirmed that the addition of small amount of iodide into the CsPbBr3 is necessarily to stabilize the cell performance over time.
This study evaluates the ImageJ software as dosimetric tools for analyzing the film dosimeter in high energy photons and electrons. The percentage depth dose of photons of 6 and 10 MV and electrons of 6 and 9 MeV were measured using the Gafchromic EBT2 film dosimeter. The films were scanned and analyzed using the Verisoft software and ImageJ. The beam profiles at nominal photon and electron beam parameters were also evaluated using the two methods. The PDD measured in ImageJ at high energy photons were in good agreement within 1% percentage of discrepancy at all depths in comparison to the Verisoft software. The PDD measured in ImageJ at high energy electrons also showed good agreement to Verisoft software within 8% percentage of discrepancy at all depths. The measured flatness of beam profiles at Dmax, R50, R80 and R90 in ImageJ were also in good agreement to Verisoft software with flatness value between 4 and 8%. The results indicated the suitability of ImageJ software as dosimetric tool for analyzing EBT2 film dosimeter at high energy photon and electrons.
This work reports the outcome of thermal grafting of 2-ethynylaniline, 3-ethynylaniline, and 4-ethynylaniline on a hydrogenated Si(100) surface. Using high-resolution XPS and AFM, it was found that the grafting of these compounds could be attributed to resonating structures that arise from the position of an electron-donating NH2 group and an electron-withdrawing acetylene group. For the ortho- and para-positioned acetylene group, surface reactions were observed to proceed predominantly via the acetylene to form a Si-C bond, whereas the meta-positioned acetylene group was found to have undergone nucleophilic grafting through the NH2 group onto the silicon surface to form a Si-N bond. Furthermore, a tert-butoxycarbonyl-protected derivative for a meta-positioned ethynylaniline was synthesized to exclusively force the reaction to react with the acetylene group and subsequent analysis confirmed that unprotected 3-ethynylaniline had indeed reacted through the nucleophilic NH2 group as hypothesized. Thus, for the first time, the interplay between resonance structures and their effects on silicon surface modifications were systematically catalogued.
Novel decoration of high aspect ratio zinc oxide nanowires (ZnO NWs) with noble metals such as Ag and Au nanoparticles (NPs) was demonstrated in this work. A facile method of chemical deposition with good controllability, as well as good homogeneity would be a huge advantage towards large scale fabrication. The highlight of this work is the feasibility of multiple component decoration such as a hybrid (co-exist) Ag-Au NPs decorated ZnO NWs formation that could be beneficial towards the development of nanoarchitectured materials with the most desired properties. The local surface plasmon effect (LSPR) of Ag and Au NPs were confirmed using extinction spectra and significant photoelectrochemical conversion efficiency (PCE) enhancement of dye-sensitized solar cells (DSSCs) was achieved. The Ag-NPs and hybrid Ag-Au NPs decorated ZnO NWs marked an impressive 125 and 240% efficiency improvement against pure ZnO NWs. The improved dye light extinction resulted from the LSPR effect that had enabled greater electron generation leading to improved PCE. As the complex design of oxides' nanoarchitectures have reached a point of saturation, this novel method would enable further enhancement in their photoelectrochemical properties through decoration with noble metals via a simple chemical deposition route.
Structural parameters, electronic structure and optical properties of the dialkali metal monotelluride M2Te (M = Li, Na, K and Rb) compounds in the cubic antifluorite structure were investigated via ab initio calculations using the all electron linearized augmented plane wave approach based on density functional theory with and without including spin-orbit coupling (SOC). The exchange-correlation interactions were described within the PBEsol version of the generalized gradient approximation and Tran-Blaha modified Becke-Johnson potential (TB-mBJ). Optimized equilibrium lattice parameters are in excellent accordance with existing measured ones. Computed energy band dispersions show that the studied compounds are large band gap materials. Inclusion of SOC reduces the band gap value compared to the corresponding one calculated without including SOC. Determination of the energy band character and interatomic bonding nature are performed using the densities of states diagrams and charge density distribution map. Linear optical function spectra are predicted for a wide energy range and the origin of the dielectric function spectrum peaks are determined.
In this work, the emission efficiency of InxGa1-xN based light emitting diodes (LEDs) had been numerically investigated with the variation of the number of quantum well. From our calculation, we found that non-uniformity of carriers distribution (especially electron) in the wells leads to serious inhomogeneity of radiative recombination distribution that would degrade the efficiency of the LED with more wells. However, the problem was minimized when the selected quantum barriers were doped with a reasonable doping level. Comparison with other reported experimental works were also included. At the end of this work, we proposed several types of preferable LEDs designs with optimum structural parameters.