A New Simulation of Track Structure of Low-Energy Electrons in Liquid Water:Considering the Condensed-Phase Effect on Electron Elastic Scattering

A new Monte Carlo simulation of the track structure of low-energy electrons （〈10keV） in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model, while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al. is applied for calculating the electron inelastic scattering. The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations. The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies, which also indicate potential effects on the DNA damage induced by low-energy electrons.

A refined Monte Carlo code for low-energy electron emission from gold material irradiated with sub-keV electrons

Considering the significance of low-energy electrons(LEEs;0–20 eV) in radiobiology, the sensitization potential of gold nanoparticles(AuNPs) as high-flux LEE emitters when irradiated with sub-keV electrons has been suggested. In this study, a track-structure Monte Carlo simulation code using the dielectric theory was developed to simulate the transport of electrons below 50 keV in gold. In this code, modifications, particularly for elastic scattering, are implemented for a more precise description of the LEE emission in secondary electron emission. This code was validated using the secondary electron yield and backscattering coefficient. To ensure dosimetry accuracy, we further verified the code for energy deposition calculations using the Monte Carlo toolkit, Geant4. The development of this code provides a basis for future studies regarding the role of AuNPs in targeted radionuclide radiotherapy.

Steering the energy sharing of electrons in nonsequential double ionization with orthogonally polarized two-color field

Using the semiclassical ensemble model,the dependence of relative amplitude for the recollision dynamics in nonsequential double ionization(NSDI)of neon atom driven by the orthogonally polarized two-color field(OTC)laser field is theoretically studied.And the dynamics in two typical collision pathways,recollision-impact-ionization(RII)and recollisionexcitation with subsequent ionization(RESI),is systematically explored.Our results reveal that the V-shaped structure in the correlated momentum distribution is mainly caused by the RII mechanism when the relative amplitude of the OTC laser field is zero,and the first ionized electrons will quickly skim through the nucleus and share few energy with the second electron.As the relative amplitude increases,the V-shaped structure gradually disappears and electrons are concentrated on the diagonal in the electron correlation spectrum,indicating that the energy sharing after electrons collision is symmetric for OTC laser fields with large relative amplitudes.Our studies show that changing the relative amplitude of the OTC laser field can efficiently control the electron–electron collisions and energy exchange efficiency in the NSDI process.

Mott Gap Filling by Doping Electrons through Depositing One Sub-Monolayer Thin Film of Rb on Ca_(2)CuO_(2)Cl_(2)

Understanding the doping evolution from a Mott insulator to a superconductor probably holds the key to resolve the mystery of unconventional superconductivity in copper oxides. To elucidate the evolution of the electronic state starting from the Mott insulator, we dose the surface of the parent phase Ca_(2)CuO_(2)Cl_(2) by depositing Rb atoms, which are supposed to donate electrons to the CuO_(2) planes underneath. We successfully achieved the Rb sub-monolayer thin films in forming the square lattice. The scanning tunneling microscopy or spectroscopy measurements on the surface show that the Fermi energy is pinned within the Mott gap but close to the edge of the charge transfer band. In addition, an in-gap state appears at the bottom of the upper Hubbard band(UHB), and the Mott gap will be significantly diminished. Combined with the Cl defect and the Rb adatom/cluster results, the electron doping is likely to increase the spectra weight of the UHB for the double occupancy. Our results provide information to understand the electron doping to the parent compound of cuprates.

Erratum to“Tunneling Electrons Triggered Energy Transfer between Coherently Coupled Donor-Acceptor Molecules”

In the original publication of my article,“Tunneling Electrons Triggered Energy Transfer between Coherently Coupled Donor-Acceptor Molecules”,which was published in Chinese Journal of Chemical Physics,Vol.37,No.4,pages 497-504,I have identified an innegligible error that requires correction.I apologize for any inconvenience and appreciate the opportunity to clarify it in the following:Error Description:In page 499,since the words “FIG.2(b,d)”in line 78 are mentioned earlier than the words“FIG.1(a)”in line 82 in the submitted manuscript,the order of Figure 1 and Figure 2 are changed automatically in the official publication of the article,which makes the logical relationship of the article confused to a significant degree.

Low-energy inelastic electron scattering from carbon monoxide:Excitation and de-excitation of the X^(1)Σ^(+),a^(3)Π,a'^(3)∑^(+),A^(1)Π,d^(3)Δ,e^(3)∑^(-),I^(1)∑^(-)and D^(1)Δelectronic states

Cross-sections for electronic excitation and de-excitation among the ground state and lowest-lying seven electronic excited states of carbon monoxide(CO)by low-energy electron impact are computed using the R-matrix method.The excitation cross-sections from the ground state to the electronic states a^(3)Π,a'^(3)Σ^(+)+and A^(1)Πagree with previous experimental and theoretical results.In addition,the cross-sections for the I^(1)Σ^(+)-and D^(1)Δstates of CO,which will cascade to CO a'^(3)Σ^(+)+and A^(1)Πstates,are calculated.Furthermore,in contrast to the typical increase in electronic excitation cross-sections with collision energy,the de-excitation cross-sections show a negative trend with increasing energy.

The influence of boundary conditions on the distribution of energetic electrons during collisionless magnetic reconnection

We conducted 2-D particle-in-cell simulations to investigate the impact of boundary conditions on the evolution of magnetic reconnection. The results demonstrate that the boundary conditions are crucial to this evolution. Specifically, in the cases of traditional periodic boundary(PB) and fully-opened boundary(OB) conditions, the evolutions are quite similar before the system achieves the fastest reconnection rate. However, differences emerge between the two cases afterward. In the PB case, the reconnection electric field experiences a rapid decline and even becomes negative, indicating a reversal of the reconnection process. In contrast, the system maintains a fast reconnection stage in the OB case. Suprathermal electrons are generated near the separatrix and in the exhaust region of both simulation cases. In the electron density depletion layer and the dipolarization front region, a larger proportion of suprathermal electrons are produced in the OB case. Medium-energy electrons are mainly located in the vicinity of the X-line and downstream of the reconnection site in both cases. However, in the OB case, they can also be generated in the electron holes along the separatrix. Before the reverse reconnection stage, no high-energy electrons are present in the PB case. In contrast, about 20% of the electrons in the thin and elongated electron current layer are high-energy in the OB case.

The anisotropy of suprathermal electrons in the Martian ionosphere

Suprathermal electrons are an important population of the Martian ionosphere, either produced by photoionization of atmospheric neutrals or supplied from the Solar Wind (SW). This study is dedicated to an in-depth investigation of the pitch angle distribution of suprathermal electrons at two representative energies, 19−55 eV and 124−356 eV, using the extensive measurements made by the Solar Wind Electron Analyzer on board the Mars Atmosphere and Volatile Evolution. Throughout the study, we focus on the overall degree of anisotropy, defined as the standard deviation of suprathermal electron intensity among different directions which is normalized by the mean omni-directional intensity. The available data reveal the following characteristics: (1) In general, low energy electrons are more isotropic than high energy electrons, and dayside electrons are more isotropic than nightside electrons;(2) On the dayside, the anisotropy increases with increasing altitude at low energies but remains roughly constant at high energies, whereas on the nightside, the anisotropy decreases with increasing altitude at all energies;(3) Electrons tend to be more isotropic in strongly magnetized regions than in weakly magnetized regions, especially on the nightside. These observations indicate that the anisotropy is a useful diagnostic of suprathermal electron transport, for which the conversion between the parallel and perpendicular momenta as required by the conservation of the first adiabatic invariant, along with the atmospheric absorption at low altitudes, are two crucial factors modulating the observed variation of the anisotropy. Our analysis also highlights the different roles on the observed anisotropy exerted by suprathermal electrons of different origins.

Re-delocalization of localized d-electrons in VO_(2)(R)-VS_(4)hetero-structure enables high performance of rechargeable Mg-ion batteries

Rechargeable Mg-ion batteries(MIBs)have attracted much more attentions by virtue of the high capacity from the two electrons chemistry.However,the reversible Mg^(2+)diffusion in cathode materials is restricted by the strong interactions between the high-polarized bivalent Mg^(2+)ions and anionic lattice.Herein,we design and propose a hetero-structural VO_(2)(R)-VS_(4)cathode,in which the re-delocalized d-electrons can effectively shield the polarity of Mg^(2+)ions.Theoretically,the electrons should spontaneously transfer from VS_(4)to VO_(2)(R)through the interfaces of hetero-structure due to the lower work function value of VS_(4).Furthermore,the internal electrons transfer lead to the electronic injection into VO_(2)(R)from VS_(4)and the partially broken V-V dimers,indicating the presence of lone pair electrons and charge re-delocalization.Benefiting from the shield effect of re-delocalized electrons,and the weakened attraction between cations and O/S anions enables more S^(2-)-S_(2)^(2-)redox groups to participate the electrochemical reactions and compensate the double charge of Mg^(2+)ions.Accordingly,VO_(2)(R)-VS_(4)hetero-structure exhibits a high specific capacity of 554 mA h g^(-1)at 50 mA g^(-1).It is believed that the charge re-delocalization of cathode extremely boost the Mg^(2+)ions migration for the high-capacity of MIBs.

A statistical analysis of the Kappa-type energy spectrum distribution of radiation belt electrons observed by Van Allen Probes

The energy spectrum of energetic electrons is a key factor representing the dynamic variations of Earth’s Van Allen radiation belts.Increased measurements have indicated that the commonly used Maxwellian and Kappa distributions are inadequate for capturing the realistic spectral distributions of radiation belt electrons.Here we adopt the Kappa-type(KT)distribution as the fitting function and perform a statistical analysis to investigate the radiation belt electron flux spectra observed by the Van Allen Probes.By calculating the optimal values of the key KT distribution parameters(i.e.,κandθ2)from the observed spectral shapes,we fit the radiation belt electron fluxes at different L-shells under different geomagnetic conditions.In this manner,we obtain typical values of the KT distribution parameters,which are statistically feasible for modeling the radiation belt electron flux profiles during either geomagnetically quiet or active periods.A comparison of the KT distribution model results with those using the Maxwellian or Kappa distribution reveals the advantage of the KT distribution for studying the overall properties of the radiation belt electron spectral distribution,which has important implications for deepening the current understanding of the radiation belt electron dynamics under evolving geomagnetic conditions.

The Lone Pair Electrons in Post-Transition Metal and Their Contribution to Optical Response

The stereochemically active lone pairs around post-transition metal atoms play an important role in determining distorted lattice structure and optical response.The lone pair electrons are characterized by crystal orbitals,electron localization function(ELF)and partial density of states(PDOS).Birefringence is evaluated by means of a Born effective charge approach based on modern polarization theory.The origin of the different responses of birefringence and second-harmonic generation(SHG)is explored,as well as the effect of spin-orbit coupling(SOC)on the band structure and optical properties is explored.The study of this paper can help to deeply understand the lone pairs and their contribution to optical property.

Electrically-driven ultrafast out-of-equilibrium light emission from hot electrons in suspended graphene/hBN heterostructures

Nanoscale light sources with high speed of electrical modulation and low energy consumption are key components for nanophotonics and optoelectronics.The record-high carrier mobility and ultrafast carrier dynamics of graphene make it promising as an atomically thin light emitter which can be further integrated into arbitrary platforms by van der Waals forces.However,due to the zero bandgap,graphene is difficult to emit light through the interband recombination of carriers like conventional semiconductors.Here,we demonstrate ultrafast thermal light emitters based on suspended graphene/hexagonal boron nitride(Gr/hBN)heterostructures.Electrons in biased graphene are significantly heated up to 2800 K at modest electric fields,emitting bright photons from the near-infrared to the visible spectral range.By eliminating the heat dissipation channel of the substrate,the radiation efficiency of the suspended Gr/hBN device is about two orders of magnitude greater than that of graphene devices supported on SiO2or hBN.Wefurther demonstrate that hot electrons and low-energy acoustic phonons in graphene are weakly coupled to each other and are not in full thermal equilibrium.Direct cooling ofhigh-temperature hot electrons to low-temperature acoustic phonons is enabled by the significant near-field heat transfer at the highly localized Gr/hBN interface,resulting in ultrafast thermal emission with up to 1 GHz bandwidth under electrical excitation.It is found thatsuspending the Gr/hBN heterostructures on the SiO2trenches significantly modifies the light emission due to the formation of the optical cavity and showed a~440%enhancement inintensity at the peak wavelength of 940 nm compared to the black-body thermal radiation.The demonstration of electrically driven ultrafast light emission from suspended Gr/hBNheterostructures sheds the light on applications of graphene heterostructures in photonicintegrated circuits,such as broadband light sources and ultrafast thermo-optic phase modulators.

Bioelectronic medicine in modulation of cortical spreading depolarization and beyond

Bioelectronic interventions,specifically trigeminal nerve st imulat ion(TNS),have attracted considerable attention in conditions where cortical spreading depolarizations(CSDs)accompanied by compromised cerebral perfusion may exacerbate neurological damage.While pharmacological interventions have demonstrated initial potential in addressing CSDs,a standardized treatment approach has not yet been established.The objective of this perspective is to explore emerging bioelectronic methodologies for addressing CSDs,particularly emphasizing TNS,and to underscore TNS’s capacity to enhance neurovascular coupling and cerebral perfusion.

Constructing Donor–Acceptor‑Linked COFs Electrolytes to Regulate Electron Density and Accelerate the Li^(+)Migration in Quasi‑Solid‑State Battery

Regulation the electronic density of solid-state electrolyte by donor–acceptor(D–A)system can achieve highly-selective Li^(+)transportation and conduction in solid-state Li metal batteries.This study reports a high-performance solid-state electrolyte thorough D–A-linked covalent organic frameworks(COFs)based on intramolecular charge transfer interactions.Unlike other reported COFbased solid-state electrolyte,the developed concept with D–A-linked COFs not only achieves electronic modulation to promote highly-selective Li^(+)migration and inhibit Li dendrite,but also offers a crucial opportunity to understand the role of electronic density in solid-state Li metal batteries.The introduced strong electronegativity F-based ligand in COF electrolyte results in highlyselective Li^(+)(transference number 0.83),high ionic conductivity(6.7×10^(-4)S cm^(−1)),excellent cyclic ability(1000 h)in Li metal symmetric cell and high-capacity retention in Li/LiFePO_(4)cell(90.8%for 300 cycles at 5C)than substituted C-and N-based ligands.This is ascribed to outstanding D–A interaction between donor porphyrin and acceptor F atoms,which effectively expedites electron transferring from porphyrin to F-based ligand and enhances Li^(+)kinetics.Consequently,we anticipate that this work creates insight into the strategy for accelerating Li^(+)conduction in high-performance solid-state Li metal batteries through D–A system.

Equalized Electronegativity Based on the Valence Electrons and Its Application

We take the contribution of all valence electrons into consideration and propose a new valence electrons equilibration method to calculate the equalized electronegativity including molecular electronegativity, group electronegativity, and atomic charge. The ionization potential of alkanes and mono-substituted alkanes, the chemical shift of 1H NMR, and the gas phase proton affinity of aliphatic amines, alcohols, and ethers were estimated. All the expressions have good correlations. Moreover, the Sanderson method and Bratsch method were modified on the basis of the valence electrons equilibration theory. The modified Sanderson method and modified Bratsch method are more effective than their original methods to estimate these properties.

Low-Energy Electron Attachment to Serine Conformers： Shape Resonances and Dissociation Dynamics

Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine （serine 1, serine 2, serine 3, and serine 4） in gas phase are investigated using the quantum scattering method with the non-empirical model potentials in single-center expansion. In the attachment energy range of 0-10 eV, three shape resonances for serine 1, serine 2, and serine 4 and four shape resonances for serine 3 are predicted. The one-dimensional potential energy curves of the temporary negative ions of electron-serine are calculated to explore the correlations between the shape resonance and the bond cleavage. The bond-cleavage selectivity of the different resonant states for a certain conformer is demonstrated, and the recent experimental results about the dissociative electron attachment to serine are interpreted on the basis of present calculations.

Detection of Coaxial Backscattered Electrons in SEM

We present a coaxial detection of the backscattered electrons in SEM. The lens-aperture has been used to filter in energy and focus the backscattered electrons. This particular geometry allows us to eliminate the low energy backscattered electrons and collect the backscattered electrons, which are backscattered close to the incident beam orientation. The main advantage of this geometry is adapted to topographic contrast attenuation and atomic number contrast enhancement. Thus this new SEM is very suitable to analyze the material composition.

Effect of electric field on the electronic spectrum and the persistent current of a quantum ring with two electrons

The effect of an electric field E on a narrow quantum ring that contains two electrons and is threaded by a magnetic flux B has been investigated. Localization of the electronic distribution and suppression of the AharonovBohm oscillation （ABO） are found in the two-electron ring, which are similar to those found in a one-electron ring. However, the period of ABO in a two-electron ring is reduced by half compared with that in a one-electron ring. Furthermore, during the variation of B, the persistent current of the ground state may undergo a sudden change in sign. This change is associated with a singlet-triplet transition and has no counterpart in one-electron rings. For a given E, there exists a threshold of energy. When the energy of the excited state exceeds the threshold, the localization would disappear and the ABO would recover. The value of the threshold is proportional to the magnitude of E. Once the threshold is exceeded, the persistent current is much stronger than the current of the ground state at E=0.

Investigation of fast pitch angle scattering of runaway electrons in the EAST tokamak

This paper reports that an experimental investigation of fast pitch angle scattering （FPAS） of runaway electrons in the EAST tokamak has been performed. From the newly developed infrared detector （HgCdTe） diagnostic system, the infrared synchrotron radiation emitted by relativistic electrons can be obtained as a function of time. The FPAS is analysed by means of the infrared detector diagnostic system and the other correlative diagnostic systems （including electron-cyclotron emission, hard x-ray, neutrons）. It is found that the intensity of infrared synchrotron radiation and the electron-cyclotron emission signal increase rapidly at the time of FPAS because of the fast increase of pitch angle and the perpendicular velocity of the energetic runaway electrons. The Parail and Pogutse instability is a possible mechanism for the FPAS.

Resonant tunnelling single-barrier of electrons in multi-step heterostructures

We have studied the quantum transport of electrons in a three-step single-barrier A1GaAs heterostructure under electric field. Using the quantum transmitting boundary method and Tsu-Esaki approach, we have calculated the transmission coefficient and current-voltage characteristic. The difference of the effective mass among the three barriers is taken into account. Effects of the barrier width on transmission coefficient and peak-to-valley current ratios are examined. The largest peak-to-valley current ratio is obtained when the ratio of widths of the left, middle, and right barrier is fixed at 4：2：1. The calculated results may be helpful for designing devices based on three-step barrier heterostructures.