Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium batteries.However,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very lacking.Herein,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an example.An interface model was developed,incorporating the electrode potential and atom electronegativities.As a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic level.Specifically,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,respectively.Such preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+deposition.This CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

Controlling the collision between two solitons in the condensates by a double-barrier potential

We present an analytical solution of two solitons of Bose-Einstein condensates trapped in a double-barrier potential by using a multiple-scale method. In the linear case, we find that the stable spots of the soliton formation are at the top of the barrier potential and at the region of barrier potential absence. For weak nonlinearity, it is shown that the height of the barrier potential has an important effect on the dark soliton dynamical properties. Especially, in the case of regarding a double-barrier potential as the output source of the solitons, the collision spots between two dark solitons can be controlled by the height of the barrier potential.

Evaluation of Disk Potentiation Test (DPT) and Double Disk Synergy Test (DDST) for The Detection of Metallo-β-Lactamases (MBLs) in Clinical Isolates of Bangladesh

Objective: Increasing the emergence of Metallo-β-lactamase (MBL) producing gram-negative bacteria and their dexterous horizontal transmission demands rapid and accurate detection. This study was conducted to determine a suitable method to promptly detect MBL-producing gram-negative bacteria. Methods: A total of 103 gram-negative bacteria were identified from various clinical samples at a tertiary care hospital in Dhaka city. MBL producers were detected by two phenotypic methods, the Disk Potentiation Test (DPT) and the Double Disk Synergy Test (DDST) based on β-lactam chelator combinations where EDTA/SMA has been used as an inhibitor and Imipenem, Ceftazidime as substrates. Results: 103 isolates which were identified as Escherichia coli spp, Klebsiella spp, Pseudomonas spp, Acinetobacter spp, Proteus spp, Providencia spp were found to be multidrug-resistant in antibiogram test. Isolates showed complete resistance (100%) to Imipenem, Meropenem, and Amoxiclav. The highest carbapenem-resistant etiological agents were Acinetobacter spp 40 (38.8%) followed by Pseudomonas spp 27 (26.2%), Klebsiella spp 26 (25.2%), Escherichia coli 8 (7.8%), Proteus spp 1 (1%) and Providencia spp 1 (1%). DPT method detected significantly (p = 0.000009) a higher number of MBL-producers (Imipenem with 0.5 M EDTA n = 61, 59.2% & Ceftazidime with 0.5 M EDTA n = 56, 54.4%) compared to the DDST method (Imipenem -0.5 M EDTA n = 43, 41.7%, Imipenem – SMA n = 38, 36.9% & Ceftazidime -0.5 M EDTA n = 15, 14.6%). Conclusion: Pieces of evidence suggest that DPT is a more sensitive method than DDST and could be recommended for identifying MBL-producing bacteria in Bangladeshi hospitals for the proper management of patients, to reduce time constraints and treatment costs.

Stress-induced potential barriers and charge distributions in a piezoelectric semiconductor nanofiber

The performance of a piecewise-stressed ZnO piezoelectric semiconductor nano?ber is studied with the multi-?eld coupling theory. The ?elds produced by equal and opposite forces as well as sinusoidally distributed forces are examined. Speci?c distributions of potential barriers, wells, and regions with effective polarization charges are found. The results are fundamental for the mechanical tuning on piezoelectric semiconductor devices and piezotronics.

System of Potential Barriers in Nanostructures

Nanoscale superlattice has been investigated theoretically. It has been shown that the deformation effects on the energy spectrum of nanoscale superlattice by changing the interatomic distances as well as varying the width and height of the potential barrier. The potential deformation has been estimated. It has been shown that for different edges of forbidden bands the deformation potential has different values. It has been also analyzed the dependence of the effective mass on energy. It has been determined that the effective mass crosses periodically the zero mark. It has been concluded that this phenomena contributes to the periodic change of the oscillation frequency de Haas-van Alphen effect.

Exact solutions of the Dirac equation with Pschl-Teller double-ring-shaped Coulomb potential via the Nikiforov-Uvarov method

Exact analytical solutions of the Dirac equation are reported for the Poschl-Teller double-ring-shaped Coulomb potential.The radial,polar,and azimuthal parts of the Dirac equation are solved using the Nikiforov-Uvarov method,and the exact bound-state energy eigenvalues and corresponding two-component spinor wavefunctions are reported.

Nonlinear modes in rotating double well potential with parity–time symmetry

We investigate the nonlinear modes in a rotating double well potential with 79T symmetry. Focus on the existence and stability of the nonlinear PT modes in this system, we found that five types of PT modes can stably exist by given certain parameter settings. The multistable area between these modes are studied numerically and the bistable and tristable areas are delimited. With different input trial wavefunctions, five types of solitary wave modes are identified. We found that the rotating of the potential can significantly affect the power flow of the fundamental harmonic mode, whose effect is absent for the other modes.

Soliton dynamical properties of Bose Einstein condensates trapped in a double square well potential

We first present an analytical solution of the single and double solitions of Bose-Einstein condensates trapped in a double square well potential using the multiple-scale method. Then, we show by numerical calculation that a dark soliton can be transmitted through the square well potential. With increasing depth of the square well potential, the amplitude of the dark soliton becomes larger, and the soliton propagates faster. In particular, we treat the collision behaviour of the condensates trapped in either equal or different depths of the double square well potential. If we regard the double square well potential as the output source of the solitons, the collision locations （position and time） between two dark solitons can be controlled by its depth.

Analytic solutions of the double ring-shaped Coulomb potential in quantum mechanics

The exact solutions of the Schr6dinger equation with the double ring-shaped Coulomb potential are presented, including the bound states, continuous states on the ＂k/2π scale＂, and the calculation formula of the phase shifts. The polar angular wave functions are expressed by constructing the so-called super-universal associated Legendre polynomials. Some special cases are discussed in detail.

Post-Gaussian Effective Potential of Double sine-Gordon Field

In the framework of the functional integral formalism, we calculate the effective potential of the double sine-Gordon (DsG) model up to the second order with an optimized expansion and the Coleman's normal-ordering prescription. Within the range of convergence, we make a comparison among the classicaland the effective potential of the first and second order. The numerical analysis shows that the DsG post-Gaussian EP possesses some fine global properties and makes a substantial and a concordant quantum correction to the features of the classical potential.

Evidence of potential change in nonsequential double ionization

Recently,the quantitative rescattering model(QRS)for nonsequential double ionization(NSDI)is modified by taking into account the potential change(PC)due to the presence of electric field at the time of recollision.Using the improved QRS model,we simulate the longitudinal momentum distributions of doubly charged ions He2+by projecting the correlated two-electron momentum distributions for NSDI of He onto the main diagonal.The obtained results are compared directly with the experimental data at different intensities.It is found that when the PC is considered,the width of momentum distributions reduces and the agreement between theory and experiment is improved.

Squeezing via coupling of Bose–Einstein condensates in a double-well potential with a cavity light field

Squeezing via the interaction between the cavity light field and the Bose Einstein Condensate （BEC） in a doublewell potential is considered within the context of the two-mode approximation. For the cavity light field initially in a coherent state, it is shown that by choosing appropriate parameters, quadrature squeezing of the cavity light field can be achieved and it exhibits periodic oscillation. We also study the case in which BEC is tuned to resonance by periodically modulating the trapping potentiaL and the quadrature squeezing of the cavity field exhibits periodic collapse and revival effect. Both analytic and numerical calculations are performed, and they are found to be in good agreement with each other. The result shows that the quantum statistical properties of the cavity light field can be manipulated by its coupling with the condensates in the double-well potential. On the other hand, dynamical properties of the condensates in the double-well potential will be reflected by the quadrature squeezing of the light field.

Adiabatic tunneling of Bose–Einstein condensates with modulated atom interaction in a double-well potential

We study the adiabatic tunneling of Bose-Einstein condensates in a symmetric double-well potential when the inter- action strength between the atoms is modulated linearly or in a cosine periodic form. It is shown that the system evolves along a nonlinear eigenstate path. In the case of linear modulation under the adiabatic approximation conditions, the tun- neling probability of the condensate atoms to the other potential well is half. However, when the system is periodically scanned in the adiabatic process, we find an interesting phenomenon. A small change in the cycle period can lead to the condensate atoms returning to the right well or tunneling to the left well. The system comes from a linear eigenstate back to a nonlinear one, which is completely different from the linear eigenstate evolution. We explain the results by using the energy level and the phase diagram.

Spontaneous symmetry breaking of a Bose-Fermi mixture in a two-dimensional double-well potential

We study the spontaneous symmetry breaking of a superfluid Bose-Fermi mixture in a two-dimensional double- well potential. The mixture is described by a set of coupled Gross-Pitaevskii equations. The symmetry breaking phenomenon is demonstrated in the two-dimensional double-well potential in the mixture. The results are summarized in the phase diagrams of the mixture particle numbers, which are divided into symmetric and asymmetric regions by the asymmetry ratios. The dynamical pictures of the spontaneous symmetry breaking induced by a gradual transformation of the single-well potential into a double-well one are also illustrated. The properties of the quantum degenerate mixture are explored using the realistic parameters for a ^40K-^87Rb system.

Bound states of the Schrdinger equation for the Pschl-Teller double-ring-shaped Coulomb potential

Poschl-Teller double-ring-shaped Coulomb （PTDRSC） potential, the Coulomb potential surrounded by PSschl- Teller and double-ring-shaped inversed square potential, is put forward. In spherical polar coordinates, PTDRSC potential has supersymmetry and shape invariance in φ,θ and τ coordinates. By using the method of supersymmetry and shape invariance, exact bound state solutions of Schr6dinger equation with PTDRSC potential are presented. The normalized φ,θ angular wave function expressed in terms of Jacobi polynomials and the normalized radial wave function expressed in terms of Laguerre polynomials are presented. Energy spectrum equations are obtained. Wave function and energy spectrum equations of the system are related to three quantum numbers and parameters of PTDRSC potential. The solutions of wave functions and corresponding eigenvalues are only suitable for the PTDRSC potential.

Effect of Surface Potential Barrier on the Electron Energy Distribution of NEA Photocathodes

By calculating the energy distribution of electrons reaching the photocathode surface and solving the Schrodinger equation that describes the behavior of an electron tunneling through the surface potential barrier,we obtain an equation to calculate the emitted electron energy distribution of transmission-mode NEA GaAs photocathodes. Accord- ing to the equation,we study the effect of cathode surface potential barrier on the electron energy distribution and find a significant effect of the barrier-Ⅰ thickness or end height,especially the thickness,on the quantum efficiency of the cath- ode. Barrier Ⅱ has an effect on the electron energy spread, and an increase in the vacuum level will lead to a narrower electron energy spread while sacrificing a certain amount of cathode quantum efficiency. The equation is also used to fit the measured electron energy distribution curve of the transmission-mode cathode and the parameters of the surface barri- er are obtained from the fitting. The theoretical curve is in good agreement with the experimental curve.

Treatment of Practical Dye Wastewater Using a Double Dielectric Barrier Discharge System Combined with a Sequencing Batch Reactor System

Synthetic dyes are substances that are relatively stable and difficult to degrade in wastewater treatment plants using normal physical,chemical or / and biological treatment. The present work explored the synergistic effect of non-thermal plasma( NTP) and biological wastewater treatment technologies on practical dye wastewater degradation by establishing a double dielectric barrier discharge( DDBD) system combined with a sequencing batch reactor( SBR) system. The biodegradation and degradation efficiency of the DDBD-SBR system was investigated. The investigation results indicated that the DDBD technology was effective in treating the practical dye wastewater as a pre-treatment process. After a 10-min treatment,although the total organic carbon( TOC) removal efficiency was not so significant, the decolouration and the biodegradation were improved greatly. The microbial toxicity test revealed that the sample after degradation became less toxic than the original dye,which demonstrated the treatment had a significant effect on the reduction of toxicity. In addition,the SBR technology remedied the defects of DDBD treatment and improved TOC removal efficiency noticeably. The hybrid DDBD-SBR system made full use of the advantages of the individual technologies and exhibited an efficient capability for practical dye wastewater treatment.

Stochastic Resonance of Single (Independent of Each Other) Protein Motor System with Fluctuating Potential Barrier

A single （independent of each other） protein motor system with fluctuating potential barrier and subject to sine electric field is investigated. We first derive the approximate Langevin equation of this system with fluctuating potential barrier. Then from this approximate Langevin equation, we calculate the signal-to-noise ratio （SNR） in the adiabatic limit. The phenomenon of stochastic resonance is found for this protein motor system with fluctuating potential barrier.

Potential Barrier Behavior of BaTiO3-(Bi0.5Na0.5)TiO3 Positive Temperature Coefficient of Resistivity Ceramic

High-Curie-temperature （Tc） lead-free Y-doped 90 mol%BaTiO3-1O mol%（Bi0.5Na0.5 ） TiO3 ceramic with positive temperature coefficient of resistivity （PTCR） is prepared by the conventional solid state reaction in nitrogen atmosphere. The PTCR ceramic exhibits a room-temperature resistivity （p25） of ~500Ω.cm and a high PTCR effect （maximum resistivity （ρmax）/minimum resistivity （ρmin）） of ~4.5 orders of magnitude. A capacitance- voltage approach is first employed to calculate the potential barrier （ Ф ） of the grain boundary of PTCR ceramic above Tc. It is found that the potential barrier changes from 0.17 to 0.77eV as the temperature increases from 180 to 220℃, which is very close to the predictions of the Heywang-Jonker model, suggesting that the capacitance-voltage method is valid to estimate the potential barrier of PTCR thermistor ceramics.

STM investigations of local potential barrier distribution of the atomic surface of graphite

To modulate the tunneling gap with the lock in amplifier in the scanning tunneling microscopy(STM), information of the tunneling current variation can be obtained. The local potential barrier distribution of graphite surface atoms is got by means of such technology. Compared with STM image under topography observation mode, the local potential barrier image has higher resolution and less influence on the tip and better anti interference capability. Observed results of the graphite are given and discussed in this paper.