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Electron spin dynamics of dilute nitride GaNAs quantum well (QW)-InAs quantum dots (QDs) tunnel-coupled structures having different QW thicknesses were studied via circularly polarized time-resolved photoluminescence. The rate equation fitting considering a capture of QD electron spins by the GaNAs localized states via tunnel transfer revealed that the spin amplification dynamics of the QDs depended on the QW thickness. For the QW thickness of 5 nm, although the temporal amplification of QD electron spin polarization was slow owing to the weak wavefunction coupling between the QW and QD, the long duration of high electron spin polarization was observed because of the suppressed capture of QD majority spins relative to the efficient removal of QD minority spins. When the QW thickness increased from 5 to 20 nm, the strong spin filtering in GaNAs and strong wavefunction coupling led to the fast amplification of QD electron spin polarization with high initial spin polarization. However, the spin polarization rapidly decays after the amplification owing to the removal of both QD majority and minority spins, originating from many effective localized states. These results indicate that the time-dependent QD electron spin polarization and the resultant spin amplification can be widely tuned by changing the thickness of the tunnel-coupled GaNAs QW. [ABSTRACT FROM AUTHOR]

The mechanism of radiation damage to 2,5-diketopiperazine (DKP, C4H6N2O2) molecules in the gas phase upon interaction with He2+ ions with an energy Ep = 4 keV/u has been investigated. The relative cross sections of various elementary processes occurring in single collisions of DKP with ions have been measured for the first time. The channels of fragmentation processes of singly charged ions have been studied experimentally. The DFT method was used to calculate the geometry of molecules and singly charged DKP ions, as well as the energies of the main experimentally observed channels of fragmentation of these ions. [ABSTRACT FROM AUTHOR]

Anodic titania nanotubes (TiO2-NT) are very promising for use in photocatalysis and photovoltaics due to their developed surface, symmetrical structure and conductive properties, which, moreover, makes them a convenient matrix for creating various nanocomposites. Herein we propose a new facile way of synthesizing symmetrical TiO2-NT followed by a modification with barium titanate (BaTiO3) nanoparticles, combining the advantages of electrochemical oxidation and hydrothermal synthesis. The electrophysical and optoelectronic properties of the formed nanocomposites have been studied. An asymmetry of the current–voltage characteristics was revealed. It is shown that during the barium titanate deposition, a symmetry-breaking nanoheterojunction TiO2/BaTiO3 is formed. Using EPR spectroscopy, paramagnetic defects (titanium, barium and oxygen vacancies) in the samples were determined. It was observed for the first time that upon illumination of titania nanotubes modified with BaTiO3, the asymmetrical separation of photoexcited charge carriers (electrons and holes) between TiO2-NT and BaTiO3 occurs, followed by the capture of electrons and holes by defects. As a result, the photoinduced charge accumulates on the defects. [ABSTRACT FROM AUTHOR]

This study investigated the distribution pattern, tissue burden, and safety of bivalve shellfish for human consumption. Edible species of bivalve shellfish harvested from Niger delta were screened for polychlorinated biphenyl (PCB) contaminants. Instrumental analysis and quantification of PCB congeners were performed using gas chromatography fitted with electron capture detector (GC-ECD). Results indicated an accumulation of PCB concentration of 0.36 ng/g, 0.89 ng/g, 0.98 ng/g, and 1.73 ng/g at Andoni, Iko Town, Ibeno, and Bonny, respectively. The PCB burden showed bloody cockle at Bonny location recorded the highest concentration of PCB congeners (2.37 ng/g), closely followed by mangrove oyster (2.13 ng/g) at Iko Town location, while Donax clam at Ibeno (0.09 ng/g) has the least PCB burden. The results obtained were lower in relation to food regulatory threshold. However, PCB tissue burden of bivalve shellfish harvested at the study locations indicated an environment impacted by anthropogenic activities that could negatively affect human health which depends on these shellfish for food. [ABSTRACT FROM AUTHOR]

The single electron capture process from adenine molecules by H+, 3He+, N+, O+, and Ne+ ions with an energy of 6.3 keV has been studied. It was found that when one electron is captured by He+ and Ne+ ions, the dissociative capture process is dominant, which is fundamentally different from the processes of capture by singly charged ions of atoms with a lower ionization potential and multiply charged ions, as well as from the process of electron impact ionization. This effect is qualitatively explained within the framework of a quasimolecular model. [ABSTRACT FROM AUTHOR]

Differential cross sections for scattering of helium atoms formed at collisions of He2+ ions with kinetic energies of 1.97, 3.00, and 7.17 keV/a.m.u with Xe atoms in processes with the formation of slow xenon ions with charges 2–4 have been measured. The projectiles deflection function is calculated. The probability of all these processes occurring at various values of the impact parameter of colliding particles is determined. The role of the electron shells of the Xe atom 5(s, p) and 4(s, p, d) for the capture of two electrons is determined depending on the speed of approach of the colliding particles, the impact parameter and the charge of the formed xenon ions. [ABSTRACT FROM AUTHOR]

A first search for rare decays of gadolinium isotopes was performed with an ultra-low background high-purity germanium detector at Gran Sasso Underground Laboratory (Italy). A 198 g Gd 2 O 3 powder sample was measured for 63.8 d with a total Gd exposure of 12.6 kg × d. 152 Gd is the most promising isotope for resonant enhanced neutrinoless double electron capture which could significantly increase the decay rate over other neutrinoless double beta decay processes. The half-life for this decay was constrained to > 4.2 × 10 12 year (90% credibility). This limit is still orders of magnitude away from theoretical predictions but it is the first established limit on the transition paving the way for future experiments. In addition, other rare alpha and double beta decay modes were investigated in 152 Gd, 154 Gd, and 160 Gd with half-life limits in the range of 10 17 - 20 year. [ABSTRACT FROM AUTHOR]

In recent decades, fate studies of pesticides have been a topic of interest worldwide due to human health concerns tomato, contain abundant nutritional phytochemicals and lycopene which is known for antioxidant. Tomato is susceptible to many pest, so to overcome from these pests many insecticides are used, leaving residual effects on the crop. So to find out the persistence, the present study was carried out to investigate the residual levels and dissipation behaviour of novaluron 9.45% + lambda-cyhalothrin 1.9% ZC in tomato crop during Rabi session of 2017–18 in randomized block design. The first spray of insecticide was done at fruit formation stage and second spray at 10-day interval at recommended dose @43.31 g a.i. ha−1 and double of recommended dose @86.62 g a.i. ha−1. The residue of novaluron determined by HPLC (high-performance liquid chromatography) on 0 day (two hours after spraying) was 0.154 ppm at lower dose and 0.234 ppm at higher dose. The residue of lambda-cyhalothrin determined by GC ECD (gas chromatography electron capture detector) at 0 day (two hours after spraying) was 0.451 ppm at lower dose and 0.849 ppm at higher dose. The deposition of novaluron 9.45% + lambda-cyhalothrin 1.9% ZC was gradually decreased with increasing days after spraying (DAS). The mean initial deposition of the pesticide novaluron and lambda-cyhalothrin was recorded as 0.154 mg/kg, 0.451 mg/kg, respectively, at the recommended dose @43.31 g a.i. ha−1 while at double of recommended dose @86.62 g a.i. ha−1 novaluron and lambda-cyhalothrin, the mean initial deposition of 0.234 mg/kg and 0.849 mg/kg was recorded, respectively. The residue of the novaluron and lambda-cyhalothrin was at BDL (below determination level) (0.01 and 0.05 ppm) on 5th and 7th day, respectively, at lower dose (x), whereas at higher dose (2x) it was below determination level on 7th and 10th day, respectively. In soil samples, the residue levels were at below the determination level (0.01 mg/kg) for novaluron and (0.05 mg/kg) for lambda-cyhalothrin at both doses. The half-life DT50 of novaluron and lambda-cyhalothrin in the tomato fruit was found to be 2 days at recommended dose (X) @43.31 g a.i. ha−1 for both the pesticide and at double of the recommended dose @86.62 g a.i. ha−1 it was 3 and 2 days, respectively. [ABSTRACT FROM AUTHOR]

The detection of particles with uncompensated charge and the determination of the features of their interaction during the formation of nanocrystals on substrates with a developed surface are an interesting area of research. The porous surface formed via the electrochemical etching of silicon acquired fractal properties as a result of the deposition of zinc oxide layers. Microscopy methods using different resolutions revealed a hierarchical structure of the surface, where each of the three consecutive levels contains uniformly distributed formations. The deposition of 20 layers of ZnO maximizes the concentration of nanocrystals at the pore boundaries, while the deposition of 25 layers leads to the formation of a continuous layer. The increase in photoluminescence intensity with an increase in the number of deposited layers is due to the saturation of surface nanostructures with electrons through several mechanisms. Electron paramagnetic resonance (EPR) studies have shown that the main mechanism of radiation recombination is the capture of electrons on oxygen vacancies. The different nature of the EPR saturation of the signal of interconnected paramagnetic centers revealed the formation of zinc oxide particles at the boundaries of pores with different sizes. The results of these studies of surface-active structures effectively complement the knowledge about sensory materials. [ABSTRACT FROM AUTHOR]

The β+-emitting radionuclide 86gY (t1/2 = 14.7 h) forms a matched-pair with the β--emitting therapeutic radionuclide 90Y (t1/2 = 2.7 d) for theranostic application in medicine. This approach demands a precise knowledge of the positron emission probability of the PET nuclide which was until recently rather uncertain for 86gY. In this work, an 86gY source of high radionuclidic purity was prepared and a direct measurement of the positron emission intensity per 100 decay of the parent (hereafter "positron emission intensity") was performed using high-resolution HPGe detector γ-ray spectroscopy. The electron capture intensity was also determined as an additional check by measuring the Kα and Kβ X-rays of energies 14.1 and 15.8 keV, respectively, using a low energy HPGe detector. From those measurements, normalized values of 27.2 ± 2.0% for β+-emission and 72.8 ± 2.0% for EC were obtained. These results are in excellent agreement with values recently reported in the literature based on a detailed decay scheme study.

Gallium oxide (Ga2O3), a promising candidate for high-power electronics, may be doped with Fe to control the native n-type conductivity and produce semi-insulating single-crystalline substrates. Here, intentionally as well as unintentionally Fe-doped β-Ga2O3 crystals grown by the Czochralski (Cz) and the floating zone (FZ) methods are studied. While the Cz samples contain Ir on the order of 1017 cm−3 due to the Ir crucible, the FZ samples are free of this contaminant. Photoinduced electron paramagnetic resonance (EPR) is performed by illuminating the samples with light emitting diodes from 0.7 to 4.7 eV while monitoring the intensity of the EPR signal. The following optical transitions associated with Fe are observed: one between 1 and 2 eV occurs in both Cz and FZ samples, another near 2.5 eV is unique to Cz Ga2O3, and a third near 3 eV appears in FZ material. The transition below 2 eV is the well-studied Fe2+-to-Fe3+ transition, intrinsic to Fe. Near 2.5 and 3 eV, the amount of Fe3+ decreases by capturing electrons excited from other defects present near or below the middle of the bandgap. By comparing Cz and Ir-free FZ crystals, we show that the 2.5 eV transition is primarily caused by Ir in Fe-doped Cz samples, whereas the ∼3 eV transition observed in FZ samples could be caused by isolated or complex intrinsic defects. By differentiating transitions between Cz and FZ material, the results will be relevant to epitaxial films, which do not contain the Ir present in the commonly studied Cz material. [ABSTRACT FROM AUTHOR]

Gas chromatography (GC) is a versatile analytical technique widely employed for the determination of various compounds, including sulfur hexafluoride (SF6). SF6 is a potent greenhouse gas and its accurate measurement is crucial for environmental monitoring and industrial applications. Different detectors in GC offer varying sensitivity, selectivity, and detection limits, affecting the precision and accuracy of SF6 quantification. This article provides a comprehensive evaluation of different GC detectors for the precise determination of SF6, highlighting their advantages, limitations, and applicability. [ABSTRACT FROM AUTHOR]

We attempted to improve semi-empirical equations for β−-decay in the atomic number range 1≤Z≤42 and mass number range 3≤A≤118. We suggested a semi-empirical formula in terms of an atomic number of daughter nuclei and decay energy in keV. We divided the nuclei into four categories: even(Z)-even(N), even(Z)-odd(N), odd(Z)-even(N), and odd(Z)-odd(N) to propose improved semi-empirical formulae. The existing equation values are compared to the experimental results. When compared to other semi-empirical equations accessible in the literature, the standard deviation produced from the current formula is lower. The improved semi-empirical formulas are of the first kind, requiring only an atomic number of daughter and decay energy during β−-decay. This study discovers a significance in predicting β−-decay.

Double white dwarf (WD) merger process and their post-merger evolution are important in many fields of astronomy, such as supernovae, gamma-ray bursts, gravitational waves, and so on. The evolutionary outcomes of double ultra-massive WD merger remnants are still a subject of debate, though the general consensus is that the merger remnant will collapse to form a neutron star (NS). In this work, we investigate the evolution of a |$2.20\, {\rm M}_{\odot }$| merger remnant stemmed from the coalescence of double |$1.10\, {\rm M}_{\odot }$| ONe WDs. We find that the remnant ignites off-centre neon burning at the position near the surface of primary WD soon after the merger, resulting in the stable inwardly propagating oxygen/neon (O/Ne) flame. The final outcomes of the merger remnant are sensitive to the effect of convective boundary mixing. If the mixing cannot stall the O/Ne flame, the flame will reach the centre within 20 yr, leading to the formation of super Chandrasekhar mass silicon core, and its final fate probably be NS through iron-core-collapse supernova. In contrast, if the convective mixing is effective enough to prevent the O/Ne flame from reaching the centre, the merger remnant will undergo electron capture supernova to form an ONeFe WD. Meanwhile, we find that the wind mass loss process may hardly alter the final fate of the remnant due to its fast evolution. Our results imply that the coalescence of double ONe WDs can form short lived giant like object, but the final outcomes (NS or ONeFe WD) are influenced by the uncertain convective mixing in O/Ne flame. [ABSTRACT FROM AUTHOR]

We present fully general relativistic 3D numerical simulations of accretion-induced collapse (AIC) of white dwarfs (WDs). We evolve three different WD models (non-rotating, rotating at 80 per cent and 99 per cent of the Keplerian mass shedding limit) that collapse due to electron capture. For each of these models, we provide a detailed analysis of their gravitational waves (GWs), neutrinos, and electromagnetic counterpart and discuss their detectability. Our results suggest that fast rotating AICs could be detectable up to a distance of 8 Mpc with third-generation GW observatories, and up to 1 Mpc with LIGO. AIC progenitors are expected to have large angular momentum due to their accretion history, which is a determining factor for their stronger GW emission compared to core-collapse supernovae (CCSNe). Regarding neutrino emission, we found no significant difference between AICs and CCSNe. In the electromagnetic spectrum, we find that AICs are two orders of magnitude fainter than type Ia supernovae. Our work places AICs as realistic targets for future multimessenger searches with third generation ground-based GW detectors. [ABSTRACT FROM AUTHOR]

[Display omitted] • Oxygen-modified g-C 3 N 4 with nitrogen-defect was successfully synthesized. • N -defect as electron trap inhibited recombination of photoinduced electron and hole. • Introduction of oxygen-containing functional group improved the hydrophily of g-C 3 N 4. • Absorption bands derived from n → π* and π → π* electronic transitions were enhanced. • Evolution rate of H 2 O 2 catalyzed by g-C 3 N 4 -ND4-OM3 reached 146.96 μmol/g/L. Photocatalytic oxygen reduction is regarded as the cleanest approach for the production of hydrogen peroxide (H 2 O 2). Herein, oxygen-modified graphite carbon nitride (g-C 3 N 4) with nitrogen-defect (namely g-C 3 N 4 -ND4-OM3) was synthesized by a feasible method. Owing to the existence of nitrogen vacancy and oxygen-containing functional group, the absorption bands derived from n → π* and π → π* electronic transitions were enhanced, thereby enlarging the visible light response range of catalysts. Interestingly, nitrogen-defect can capture electron and effectively suppress the recombination of photoinduced electrons and holes. More importantly, the introduction of oxygen-containing functional groups can improve the hydrophilicity of g-C 3 N 4 , which was beneficial for the adsorption of dissolved oxygen. The electrostatic potential distributions of g-C 3 N 4 -based photocatalyst structural unit were also changed after introducing nitrogen vacancy and oxygen-containing functional group, and the electron-donating ability of g-C 3 N 4 was improved. As a result, the evolution rate of H 2 O 2 catalyzed by g-C 3 N 4 -ND4-OM3 was as high as 146.96 μmol/g/L under visible light irradiation. The photocatalytic H 2 O 2 generation was completed through the direct 2-e− oxygen reduction. In short, current work will share novel insights into photocatalytic H 2 O 2 generation over g-C 3 N 4 -based catalyst. [ABSTRACT FROM AUTHOR]

It is a practical way to raise the efficiency of photocatalysis by using oxygen vacancy defect modified materials. In this experiment, a Z‐scheme BOA composite photocatalyst with defect structure was prepared by hydrothermal in situ precipitation method. The optimal ratio of 1.5 BOA showed excellent photocatalytic degradation performance for MO, TC and CIP under visible light irradiation, and maintained good structural stability and circulation rate after five cycles. The increased photocatalytic activity of the composite can be explained to the heterojunction interface's synergistic effects and the quicker electron hole transit rate caused by the surface oxygen vacancy defect. XPS and EPR confirmed the existence of anoxic structure in the composite, PL and photocurrent confirmed the high electron hole transfer rate. The active species that contributed to the degradation process were validated by the active species capture experiment and ESR. LC–MS speculated the possible degradation path of CIP. Finally speculated the reaction mechanism of Z‐scheme BOA composite photocatalyst. Using the anoxic structure of BiO2−X to form a Z‐scheme heterostructure with Ag3PO4, the oxygen vacancy as the electron capture center and active site is conducive to improving the photogenerated electron transfer rate, thereby improving the structural stability and photocatalytic performance of the complex. [ABSTRACT FROM AUTHOR]

Metallic nickel (Ni) is a promising candidate to substitute Pt-based catalysts for hydrogen oxidation reaction (HOR), but huge challenges still exist in precise modulation of the electronic structure to boost the electrocatalytic performances. Herein, we present the use of single-layer Ti3C2Tx MXene to deliberately tailor the electronic structure of Ni nanoparticles via interfacial oxygen bridges, which affords Ni/Ti3C2Tx electrocatalyst with exceptional performances for HOR in an alkaline medium. Remarkably, it shows a high kinetic current of 16.39 mA cmdisk -2 at the overpotential of 50 mV for HOR [78 and 2.7 times higher than that of metallic Ni and Pt/C (20%), respectively], also with good durability and CO antipoisoning ability (1,000 ppm) that are not available for conventional Pt/C (20%) catalyst. The ultrahigh conductivity of single-layer Ti3C2Tx provides fast transmission of electrons for Ni nanoparticles, of which the uniform and small sizes endow them with high-density active sites. Further, the terminated -O/- OH functional groups on Ti3C2Tx directionally capture electrons from Ni nanoparticles via interfacial Ni-O bridges, leading to obvious electronic polarization. This could enhance the Nids- O2p interaction and weaken Nids-H1s interaction of Ni sites in Ni/Ti3C2Txenabling a suitable H-/OH-binding energy and thus enhancing the HOR activity. [ABSTRACT FROM AUTHOR]

It is possible that the proton is stable while atomic hydrogen is not. This is the case in models with new particles carrying baryon number which are light enough to be stable themselves, but heavy enough so that proton decay is kinematically blocked. Models of new physics that explain the neutron lifetime anomaly generically have this feature, allowing for atomic hydrogen to decay through electron capture on a proton. We calculate the radiative hydrogen decay rate involving the emission of a few hundred keV photon, which makes this process experimentally detectable. In particular, we show that the low energy part of the Borexino spectrum is sensitive to radiative hydrogen decay, and turn this into a limit on the hydrogen lifetime of order 10 30 s or stronger. For models where the neutron mixes with a dark baryon, χ , this limits the mixing angle to roughly 10 − 11 , restricting the n → χ γ branching to 10 − 4 , over a wide range of parameter space. [ABSTRACT FROM AUTHOR]

An atomic-orbital close-coupling method is applied to H + + He collisions for collision energies 1–200 keV. We show the cross sections for the elastic scattering, excitation to He( 2 1 S) and He( 2 1 P), electron capture to H(2 s) and H(2p), and so on. Depending on the processes, the present results agree with some experiments, but disagree with some. Discrepancies are also found between present results and those of existent two-electron calculations for electron capture to H(2 s) and excitation to He( 2 1 S) and He( 2 1 P) below 20 keV. [ABSTRACT FROM AUTHOR]

This work introduces a new highly efficient heterostructure solar cell that shows the supremacy of the single-walled carbon nanotube as an absorber layer and platinum (Pt) as a back contact. This article focuses on the most important process: optimizing the thickness and acceptor concentration of the absorber layer. Another novel fact in this work is that minorities have been included as a replica of defects and the Auger hole/electron capture coefficient, and the variations in defects have been shown with some flawless contour plots. As the whole study has been carried out using a simulator, it might not be completely realistic, but it shows outcomes close to reality. In addition, the use of minorities takes this simulation work closer to the physical one. A contemporary model—Al/ZnO/TiO2/SWCNT/SnS/Pt—has been investigated in this work for efficient performance. At the end of tuning, the input parameters are set at thickness (W) = 1.5 μm, acceptor concentration (NA) = 1 × 1020 cm−3, and defects = 1 × 1015 cm−3 . Under these optimum conditions, this model has shown outstanding outcomes: VOC = 1.04 V, JSC = 41.91 mA cm−2, FF = 72.12%, and η = 31.57%. Although an efficiency of 32.86% was achieved at NA = 1 × 1021 cm−3, it is difficult to keep the acceptor concentration high in reality. Hence, the optimum value of the acceptor concentration is considered at 1 × 1020 cm−3 . [ABSTRACT FROM AUTHOR]

Accurate particle and power deposition profiles of neutral beam injection (NBI) are essential to transport studies, and that information is usually acquired through Monte Carlo simulations with a given collisional model. The deposition process of the energetic beam particles leads to the informative electron temperature (Te) evolution trajectory, which can be captured by electron cyclotron emission (ECE) system due to its good spatial and temporal resolution. Previously, some work has been done to interpret the Te responses to the pulsed NBI as a linear heating source with Fourier-based techniques, although that approach fell short when the fast ion slowing-down time becomes significant (∼100 ms). It has been observed in DIII-D that the modulated NBI pulses (10–50 Hz) reduce local core Te values ∼0.1 keV through cold electron dilution in high-Te (>2 keV) plasmas alongside accumulative heating. Here, a novel approach to interpret the Te response to NBI was developed by linearizing and modeling the detailed Te evolution trajectory using coherently averaged ECE data based on the different time scales of the terms in the local power and particle balance equations. The technique does not require absolute calibrations of ECE and is independent of collisional models. The resulting beam deposition profiles show good consistency and reasonable agreement with Monte Carlo calculations based on the atomic data from the Atomic Data and Analysis Structure (ADAS). Local electron density response measured by Thomson scattering (TS) also suggests the same features when the beam pulse is large enough for that diagnostic to resolve. The remaining discrepancies are also discussed. [ABSTRACT FROM AUTHOR]

Novel Covalent organic skeleton/metal oxide (COF/MOx; M = Ti, Zn, Zr, Sn, Ce, Nb) Z scheme heterojunction is constructed to achieve highly selective oxidation of nitric oxide (NO). Under visible‐light irradiation, the optimized COF/TiO2 (CF/TS0.05) catalyst showed an excellent NO removal rate (64.5%), resulting from the improvement of light absorption performance, the separation efficiency of photoexcited electron‐hole pairs, and O2 activation due to the uniform coating of COF. Meanwhile, the electrons are captured by the adsorbed oxygen to effectively render into superoxide radicals as the main active species, and the corresponding holes are retained at the complex interface due to the hydrophobic COF coating, which extremely reduced the ability of activated water to produce hydroxyl radicals and limited the production of intermediate nitrogen dioxide (NO2), thereby improving the oxidation selectivity toward nitrate (NO3−) at 99.9% in the Z scheme heterojunction. More importantly, other COF/MOx catalysts also exhibited superior selectivity and activity, meaning that this scheme is credited with universality. In short, this study reveals that the generation of only one main reactive oxygen species is enhanced by reasonable control of electron‐hole pair in the new Z scheme heterojunction to significantly increase photocatalytic performance and selectivity. [ABSTRACT FROM AUTHOR]

With the importance of cocoa beans and its products, it is imperative to know whether the levels of pesticides residues are kept below the recommended levels to minimize the risk to human health. This study investigates the incidence and levels of organochlorinated pesticide residues in cocoa beans from eighteen selected cocoa farms in Ekiti State, Nigeria. Method 3550C of USEPA was employed to extract the pesticides from the samples, while a Gas Chromatography coupled with Electron Capture Detector (GC-ECD) was used for pesticides identification and quantification after careful extraction and clean-up on silica gel. The mean OCPs concentrations ranged from 0.0003 μg/g (α-BHC) to 0.163 μg/g (endosulfan sulphate) with α-BHC as the most frequently found pesticide residue. The concentration levels of lindane, α-BHC, p,p’-DDT, p,p’-DDD, heptachlor, heptachlor-epoxide and endosulfan II were below the maximum residual limit (MRL) in food as reported by European Union, while 0.92%, 2.78%, and 4.6% of endosulfan I, (β-BHC and δ-BHC) and (aldrin and dieldrin) respectively were above the MRL. The detectable levels of OCPs in the beans make it inevitable to conduct regular monitoring so as to ensure that the levels remains below prescribed limits by national and international standards. [ABSTRACT FROM AUTHOR]

Context: In this work, we did a theoretical exploration of C8F8 (Ib) and its anion radical analogue (IIb) in this work. By investigating the thermochemistry of electron capture, we find that the free energy associated with the conversion of C8H8 (Ia) into its anion radical analogue IIa is of the order of + 92.83 kcal.mol-1, while the conversion of Ib into IIb is − 6.42 kcal.mol-1. Therefore, species IIb is thermodynamically more stable than its neutral analogue. Natural bond orbitals (NBO) analyses revealed that compound Ib exhibits a relative electronic stability as a function of intramolecular delocalisations of the type σ C - C → σ C - F ∗ of the order of 2.70 kcal.mol-1. Similar delocalizations for Ia are energetically lower (1.45 kcal.mol-1). Topological analyses of compounds Ib and IIb indicate that the addition of an electron to Ib enhances the covalency of the C-C bond, as can be seen by the reduction in the ellipticity of the C-C bond. The opposite is observed for Ia, whose addition of the electron (leading to IIa) reduces the covalency of the C-C bond. By comparing the free and packaged forms of the species, it is found that, in the crystalline form, the system will present greater relative stability due to the dispersive interactions involved, as evidenced by non-covalent interactions (NCI) analysis. Finally, it was possible to verify that the manifestation of the current density with a lower paratropic and less antiaromatic character in Ib and IIb point to C8F8 as a strong candidate for electron capture. Methods: Geometry optimization calculations were carried out, for all monomer structures using the hybrid functional B3LYP-D3 and the 6-31+G(d,p) basis set. To determine the formation thermochemistry of the ions, electronic energy corrections was performed using the DLPNO-CCSD(T)/aug-cc-pVTZ/C method. Starting from the optimised forms, shielding, nuclear magnetic resonance (NMR) spectra employing gauge-independent atomic orbital (GIAO), and NBO calculations were performed for these monomers, using the PBE0 functional and the pCSseg-2 atomic basis set. The magnetochemical analysis of ring currents was performed using the GIMIC formalism. For the topological analysis, it was applied the combination DLPNO-CCSD(T)/aug-cc-pVTZ/C, previously used for correcting the electronic energy. [ABSTRACT FROM AUTHOR]

The mechanism of the fragmentation processes of adenine ions (Ade, C5H5N5) occurring during the interaction of molecules in the gas phase with ions energies of the order of keV is studied. The relative cross sections of various elementary processes occurring in single collisions of ions with molecules are measured. The channels of the fragmentation processes of singly charged Ade+ ions are experimentally studied. The complete active space self-consistent field (CASSCF) method is used to calculate the geometry of the molecules and singly charged Ade+ ions, as well as the reaction paths of the main experimentally observed fragmentation channels of these ions. [ABSTRACT FROM AUTHOR]

Electrochemical water splitting is a promising approach for producing sustainable and clean hydrogen. Typically, high valence state sites are favorable for oxidation evolution reaction (OER), while low valence states can facilitate hydrogen evolution reaction (HER). However, here we proposed a high valence state of Co3+ in Ni9.5Co0.5−S−FeOx hybrid as the favorable center for efficient and stable HER, while structural analogues with low chemical states showed much worse performance. As a result, the Ni9.5Co0.5−S−FeOx catalyst could drive alkaline HER with an ultra‐low overpotential of 22 mV for 10 mA cm−2, and 175 mV for 1000 mA cm−2 at the industrial temperature of 60 °C, with an excellent stability over 300 h. Moreover, this material could work for both OER and HER, with a low cell voltage being 1.730 V to achieve 1000 mA cm−2 for overall water splitting at 60 °C. X‐ray absorption spectroscopy (XAS) clearly identified the high valence Co3+ sites, while in situ XAS during HER and theoretical calculations revealed the favorable electron capture at Co3+ and suitable H adsorption/desorption energy around Co3+, which could accelerate the HER. The understanding of high valence states to drive reductive reactions may pave the way for the rational design of energy‐related catalysts. [ABSTRACT FROM AUTHOR]

Rhenium disulfide (ReS2) holds expansive perspective in photocatalytic water‐splitting field, but its H2‐production rate is severely impeded by the strong hydroxyl (OHad) adsorption on catalytic Re atoms. Herein, an ingenious strategy about charging d‐orbital electrons of ReS2+x cocatalyst by integrating metallic Au is explicitly clarified to effectively accelerate OHad desorption for promoting alkaline photocatalytic H2‐evolution activity. To this end, core‐shell Au@ReS2+x nanostructures as H2‐production cocatalysts are skillfully fabricated onto TiO2 by a directional assembly pathway. Experimental and theoretical data validate an free‐electron transfer from metallic Au core to S‐rich ReS2+x shell, thus essentially charging electrons to the d‐orbital of Re atoms to construct active Re(4‐δ)+ sites. The charged d‐orbital electron state of Re(4‐δ)+ atoms raises antibonding occupancy of the Re(4‐δ)+OHad bonds, thereby accelerating OHad desorption and endowing core‐shell Au@ReS2+x cocatalysts an efficient H2 production from alkaline water splitting. Moreover, the core‐shell Au@ReS2+x cocatalysts can effectively capture photogenerated electrons from TiO2 as unveiled by operando Kelvin probe force microscopy. Consequently, the optimized TiO2/Au@ReS2+x photocatalyst achieves an exceptional H2‐production rate of 6013.45 µmol h−1 g−1 with releasing visual H2 bubbles in alkaline media. This research furnishes original insights for charging orbital electrons to optimize the adsorption strength between intermediates and catalytic atoms. [ABSTRACT FROM AUTHOR]

A theoretical method for evaluating the single-electron capture (SEC) cross sections in collisions of fast ions with a ground-state H2 molecule is presented. The scattering problem for ion-molecule collisions is formulated in the impact parameter representation using the relation between the quantum-mechanical amplitude and quasi-classical impact parameter one. The capture amplitudes and corresponding probabilities of capture to (nlm) states of an incident ion are derived within the framework of the Brinkman–Kramers approximation. The general expressions for the SEC probability amplitudes to n-states, summed over l and m quantum numbers, are deduced, from which the corresponding SEC probabilities can be then calculated using a procedure of multichannel normalization. The dependence of the differential cross sections, integrated over projectile impact parameters, on the molecular orientation for charge exchange in H+ + H2 collisions is considered and compared with measurements and other calculations. Total SEC cross sections, integrated over the molecular orientations and summed over n-states for several bare and dressed ions, are calculated and compared with available experimental data and results of calculations by means of other theoretical methods. [ABSTRACT FROM AUTHOR]

Manifestation of the Franz–Keldysh effect was found under indirect daylight illumination of Al‒n+-Si:P–SiO2–(100) n-Si with ultrafine (3.7 nm) oxide. It is shown that the use of illumination even at low field voltages (up to 3 V) leads to an increase in the tunneling current through the oxide compared to the current in darkness by three orders of magnitude. A model is constructed for the influence of radiation on the process of electron tunneling through an ultrathin insulating layer. First, as a result of the Franz–Keldysh effect, a radiation quantum is captured by an electron and a given charge carrier tunnels through the barrier at a higher level compared to darkness. After a charge carrier enters a semiconductor, its energy is sufficient for several acts of electron–hole pair production during the impact ionization of silicon. [ABSTRACT FROM AUTHOR]

The photoreduction of a Keggin type lacunary tungstomolybdophosphate, α-(Bu4N)4[H3PW9Mo2O39], in acetonitrile, led to the formation of a monoreduced lacunary heteropoly anion, or a one electron reduced "heteropoly blue" species, whereby the added "blue" electron was captured by the molybdenum atoms. The magnetic properties and behavior of the "blue" electron were studied by a modified Evans nuclear magnetic resonance method (small downshift of the 31P signal) and variable-temperature electron paramagnetic resonance (g = 1.936 for MoV). The intermolecular exchange of the "blue" electron was limited by a geometrical factor, which requires the contact between Mo caps to exchange it between the heteropoly couple. The intramolecular exchange of the "blue" electron between Mo atoms was rather fast (5.3 × 109 s−1), with a rate of more than six orders of magnitude larger than the intermolecular exchange rate. Density functional theory was used to determine the most prevalent protonation sites in the mixed lacunary isomers with the aim of studying the intramolecular electron transfer pathway in the isolated [H4PW9Mo2O39]4− species. The singly occupied molecular orbital (SOMO) is essentially localized in one of the two nonequivalent molybdenum sites. The kinetics of the intramolecular electron exchange equilibrium MoV + MoVI → MoVI + MoV between the two molybdenum atoms bridged by an oxygen atom was found to be fast in agreement with the experimental result. The transition state is of mixed-valence type, with the SOMO delocalized over the Mo—O—Mo group. Spectroscopic parameters were found to be in fair agreement with experimental results. [ABSTRACT FROM AUTHOR]

A precise understanding of mechanisms governing the dynamics of electrons in atoms and molecules subjected to intense laser fields has a key importance for the description of attosecond processes such as the high-harmonic generation and ionization. From the theoretical point of view, this is still a challenging task, as new approaches to solve the time-dependent Schrödinger equation with both good accuracy and efficiency are still emerging. Until recently, the purely numerical methods of real-time propagation of the wavefunction using finite grids have been frequently and successfully used to capture the electron dynamics in small one- or two-electron systems. However, as the main focus of attoscience shifts toward many-electron systems, such techniques are no longer effective and need to be replaced by more approximate but computationally efficient ones. In this paper, we explore the increasingly popular method of expanding the wavefunction of the examined system into a linear combination of atomic orbitals and present a novel systematic scheme for constructing an optimal Gaussian basis set suitable for the description of excited and continuum atomic or molecular states. We analyze the performance of the proposed basis sets by carrying out a series of time-dependent configuration interaction calculations for the hydrogen atom in fields of intensity varying from 5 × 1013 W/cm2 to 5 × 1014 W/cm2. We also compare the results with the data obtained using Gaussian basis sets proposed previously by other authors. [ABSTRACT FROM AUTHOR]

A discrepancy, well outside reported uncertainties, has been observed between the accepted and measured values of the intensity ratio of the two strongest γ rays following 61Cu β+ decay. This discrepancy has significant impact since the natNi(d,x)61Cu reaction has historically been one of only a few IAEA recommendations for use as a deuteron flux monitor and a considerable number of published cross sections measured in ratio to that beam monitor cross section may depend on the choice of either the first or second strongest γ ray in those calculations. To determine the magnitude of this error most precisely, over a hundred separate measurements of the 283 keV to 656 keV γ-ray emission ratio were collected from seven experiments and a variety of detectors and detection geometries. A weighted average of all these measurements indicates an error in the value listed in the Nuclear Data Sheets of 11% in either the primary or second-highest intensity γ ray of 61Cu, potentially introducing an 11% error in 61Cu production cross section measurements, cross sections using nickel activation as a deuteron beam current monitor, or in dose rates when 61Cu is used in nuclear medicine. General agreement with the Data Sheets with ten other intensity ratios suggests the most probable error is in the secondary (656 keV) emission, which accordingly should be updated from 10.8% to 9.69%.

The factors limiting channel mobility in AlSiO/p-type GaN-based metal-oxide-semiconductor field-effect transistors (MOSFETs) were systematically investigated. MOSFETs with various thin interfacial layers (ILs) between Al0.78Si0.22Oy films and Mg-doped GaN layers were prepared and found to exhibit different channel mobilities. The maximum effective mobility showed a significant correlation with the threshold voltage (Vt) and the hysteresis (ΔVt) in the transfer characteristics of these devices, such that the mobility decreased with increasing Vt and ΔVt. This effect can be explained by electron capture in and emission from border traps situated near the conduction band minimum for GaN. The insertion of a 3-nm-thick SiO2 IL drastically enhanced the effective mobility and simultaneously reduced the ΔVt value. Hall effect measurements with an applied gate voltage were used to determine the mobility of free electrons while excluding electrons captured in the border traps. The Hall effect mobility was much higher than the effective mobility, indicating that mobility was in fact reduced by the capture of electrons by the border traps. The ratio of electrons captured by border traps to the overall electrons induced by a gate bias was greatly lowered in a MOSFET incorporating a SiO2 IL. When a high vertical electric field of approximately 1 MV/cm was present in the device channel, the Hall effect mobility was slightly increased following the insertion of an IL. These results suggest that the IL reduced the interfacial roughness and/or affected the screening out of scattering due to potential fluctuations of the AlSiO. [ABSTRACT FROM AUTHOR]

Photoionization dynamics of N,N-dimethylaniline (DMA) from highly electronically excited states in ethanol solution was investigated by means of femtosecond two-pulse two-photon excitation transient absorption (2PE-TA) spectroscopy. The first pump pulse prepares the lowest singlet excited state (S1 state) of DMA, and the second one excites the S1 state into higher excited states. In the case with the second pulse at 500 nm, the ionization took place via a rapid channel (<100 fs) and a slow one with the time constant of ∼10 ps. The excitation wavelength effect of the second pulse indicated that a specific electronic state produced directly from higher excited states was responsible for the slow ionization. By integrating these results with the time evolution of the transient absorption spectra of the solvated electron in neat ethanol detected by the simultaneous two-photon excitation, it was revealed that the slow ionization of DMA in ethanol was regulated by the formation of the anionic species just before the completion of the solvation of the electron, leading to the solvated electron in the relaxed state. From these results, it was strongly suggested that the capture of the electron of the Rydberg-like state by the solvent or solvent cluster regulates the appearance of the cation radical. [ABSTRACT FROM AUTHOR]

Uniform and stable reactivity of atmospheric pressure plasmas is a prerequisite for most applications in fields ranging from materials' surface processing, environment protection, to energy conversion. Dielectric barrier discharges (DBDs) are among the most promising plasmas to satisfy these requirements. However, the unpredictable and uncontrollable transitions between discharge modes, the limited understanding of the DBD ignition and extinction processes, and the complexity of plasma chemistries and reactions with admixture gases restrict their adoption in industry. Here, we report a practically relevant and elegant solution based on using customized nanosecond (ns) pulse excitation and precise addition of oxygen to an Ar flow. The effects of ns pulses and oxygen on the uniformity and reactivity of the DBD are investigated via quantifying the gap voltage Ug and the discharge current Ig from the current–voltage measurements and quantitative discharge imaging. The electron density, ne, is estimated with Ug and Ig. With increasing Ug, more electron avalanches are ignited and overlap, which facilitate ne, Te, and discharge uniformity, while high Ug induces excessive electrons generated with high ionization rates, resulting in the distortion of the space electric field and reduced stability and uniformity. A small amount of added oxygen favors the production of electrons. Overdosed oxygen molecules capture electrons causing a drop in ne and Te and couple with the effect of the electrical field resulting in the filamentary discharges or complete plasma extinction. The mechanism of the effects of ns pulses and oxygen addition on the uniformity and reactivity of plasmas is based on the electrical measurements and discharge image analysis and is cross-validated by optical emission spectra measurements and the ratio of the Ar intensities' calculations as indicators of the variation in ne and Te. The results in this work contribute to the realization and controllability of uniform, stable, and reactive plasmas at atmospheric pressure. [ABSTRACT FROM AUTHOR]

We present a direct observation where fragmentation of the CO22+ dication, upon highly charged ion impact, leads to the formation of molecular oxygen. We assert that molecular bending and bond stretching modes of the dication represent the underlying mechanisms driving the generation of O2+. We conducted ab initio quantum chemistry calculations for the electronic state of the dication and found that the 5A1 state is responsible for the bond-rearrangement reaction. The branching ratios of this channel for multiple projectile beams of varying charge and velocity have been reported and are found to be independent of the projectile’s charge and velocity.

Dissociative electron attachment is a mechanism found in a large area of research and modern applications. This process is initiated by a resonant capture of a scattered electron to form a transitory anion via the shape or the core-excited resonance that usually lies at energies above the former (i.e., >3 eV). By studying experimentally and theoretically the interaction of nickel(II) (bis)acetylacetonate, Ni(II)(acac)2, with low energy electrons, we show that core-excited resonances are responsible for the molecular dissociation at unusually low electron energies, i.e., below 3 eV. These findings may contribute to a better description of the collision of low energy electrons with large molecular systems. [ABSTRACT FROM AUTHOR]

The development of new technology, which would be able to shift photosensitivity of Si devices to the mid-infrared range, preserving the benefits of cheap silicon readout circuits, is of high priority for short-wave infrared photo-detection in defense, medical, night vision, and material production applications. Group IV GeSn-based materials have recently shown promising optoelectronic characteristics, allowing extension of the detection range to the mid-infrared region. However, the electronic properties of the material are not well understood and need further research. In this work, we provide temperature dependent studies of carrier lifetime, diffusion coefficient, and diffusion length in Ge0.95Sn0.05 epilayer on silicon by applying contactless light induced transient grating technique. The observed temperature dependence of lifetime was explained by the recombination of carriers on vacancy-related defects. The electron and hole capture cross sections were calculated. The temperature dependence of the diffusion coefficient indicated hole mobility limited by phonon and defect scattering. Weakly temperature dependent diffusion length of ∼0.5 μm verified material suitability for efficient submicrometer-thick optoelectronic devices. [ABSTRACT FROM AUTHOR]

The variation of the effective lifetime of minority carrier lifetime τeff with temperature has been studied in the temperature range 300–580 K in AlxGa1−xAs base regions of p+–p0–i–n0–n+ high-voltage GaAs–AlGaAs diodes grown by liquid-phase epitaxy. It was found by using deep level transient spectroscopy that the emission/capture of electrons and holes in AlxGa1−xAs p0–i–n0 epitaxial layers is governed by the DX− states of the DX center formed by Se/Te background impurities. The Arrhenius plots associated with the τeff were used to determine the activation energy of the hole capture to the DX− level to be Ec = 159 meV. It is shown that the thermal capture of holes to the DX− level determines the relaxation time of nonequilibrium carriers in the AlxGa1−xAs base layers as well as its temperature dependence. [ABSTRACT FROM AUTHOR]

We applied time-resolved free carrier absorption and light-induced transient grating techniques for monitoring carrier dynamics in lightly Fe-doped GaN bulk crystals. Comparison of measured decay times at single- and two-photon carrier photoexcitation with those reported for higher Fe doping revealed two different branches of lifetime dependence on iron density. A deeper insight was reached by using different wavelengths for probing carrier dynamics, which enabled discrimination of electron and hole capture processes by Fe ions. The capture cross section for holes, σh = (4 ± 1) × 10−15 cm2 for the Fe2+* state (5E → 4T2 transition) was determined to be ten times larger than that for electrons, σe = (4 ± 1) × 10−16 cm2 for the Fe3+* state (4T1 → 3T1 transition). Thermal activation of the [Fe2+(5T2),hVB] complex, where hVB is a free hole, required an energy of 315 meV. Light-induced transient grating decay revealed decreasing diffusivity of electrons with Fe doping due to initial carrier capture to Fe3+ states. Simultaneous measurements of carrier diffusion coefficient and lifetime at low excitation conditions (3 × 1017 cm−3) revealed a decrease of bipolar diffusion length from 2 μm in the undoped GaN down to 0.08 μm in the Fe-doped samples at 300 K. [ABSTRACT FROM AUTHOR]

Dense and flat La 2 NiFeO 6 (LNFO) films were fabricated on the indium tin oxide-coated glass (ITO/glass) substrate by sol–gel method. The bipolar resistive switching behavior (BRS) could be maintained in 100 cycles and remained after 30 days, indicating that the LNFO-based RS device owned good memory stability. Surprisingly, the multilevel RS characteristics were firstly observed in the Au/LNFO/ITO/glass device. The high resistance states (HRSs) and low resistance state (LRS) with the maximum ratio of ∼ 500 could be remained stably in 900 s and 130 cycles, demonstrating the fine retention and endurance ability of this LNFO-based RS device. The BRS behavior of Au/LNFO/ITO/glass devices primarily obeyed the SCLC mechanism controlled by oxygen vacancies (OVs) dispersed in the LNFO layer. Under the external electric field, injected electrons were captured or discharged by OVs during trapping or detrapping process in the LNFO layer. Thus, the resistive state switched between HRS and LRS reversibly. Moreover, the modulation of Schottky-like barrier formed at the Au/LNFO interface was contributed to the resistive states switchover. It was related to the change in OVs located at the dissipative region near the Au/LNFO interface. The multilevel RS ability of LNFO-based devices in this work provides an opportunity for researching deeply on the high density RS memory in lead-free double perovskite oxides-based devices. [ABSTRACT FROM AUTHOR]

We model the nuclear evolution of an accreted matter as it sinks toward the stellar centre, in order to find its composition and equation of state. To this aim, we developed a simplified reaction network that allows for redistribution of free neutrons in the inner crust to satisfy the recently suggested neutron hydrostatic and diffusion equilibrium condition. We analyse the main reaction pathways for the three representative thermonuclear ash compositions: Superburst, Kepler, and Extreme rp. In contrast to the previous results, which neglect redistribution of free (unbound) neutrons in the inner crust, the most significant reactions in our calculations are neutron captures and electron emissions. The pycnonuclear fusion plays some role only for Kepler ashes. For the direct application of our results in astrophysical codes we present profiles of the average charge, 〈 Z 〉, impurity parameter, Q imp, and equation of state for a set of models, parametrized by the pressure at the outer–inner crust interface. Typically, for Superburst ashes Q imp ≈ 1 − 4, while for Kepler ashes Q imp decreases from ≈23 at the outer–inner crust interface to ≈5 at the end of our simulation (the corresponding density equals ρdc ≈ 2 × 1012 g cm−3). At the same time, for Extreme rp ashes Q imp remains large ≈30 − 35 in the considered inner crust region. Our results are important for modelling the thermal relaxation of transiently accreting neutron stars after the end of the outburst. [ABSTRACT FROM AUTHOR]

Multiphoton absorption and multiple excitation can lead to the formation of highly electronically excited states of molecules. We have been applying these excitation methods to explore specific photochemical reactions, which are rather difficult to attain by normal one-photon absorption processes. In the present review, we will introduce several examples of these photochemical responses specific to highly excited state in the condensed phase, such as two-photon-gated cycloreversion, one-color control of both reactions in photochromic systems and rapid capture of an electron ejected from the higher excited state leading to rapid generation of charge-separated states at the high energy level with a lifetime much longer than microseconds. [ABSTRACT FROM AUTHOR]