The binding energy of a hydrogenic impurity in self-assembled double quantum dots

The binding energy of a hydrogenic impurity in self-assembled double quantum dots is calculated via the finitedifference method. The variation in binding energy with donor position, structure parameters and external magnetic field is studied in detail. The results found are： （i） the binding energy has a complex behaviour due to coupling between the two dots; （ii） the binding energy is much larger when the donor is placed in the centre of one dot than in other positions; and （iii） the external magnetic field has different effects on the binding energy for different quantum-dot sizes or lateral confinements.

Simultaneous Effects of Hydrostatic Pressure and Conduction Band Non-parabolicity on Binding Energies and Diamagnetic Susceptibility of a Hydrogenic Impurity in Spherical Quantum Dots

Simultaneous effects of conduction band non-parabolicity and hydrostatic pressure on the binding energies of 1S, 2S, and 2P states along with diamagnetic susceptibility of an on-center hydrogenic impurity confined in typical GaAs/Alx- Ga1-x As spherical quantum dots are theoretically investigated using the matrix diagonalization method. In this regard, the effect of band non-parabolieity has been performed using the Luttinger-Kohn effective mass equation. The binding energies and the diamagnetic susceptibility of the hydrogenic impurity are computed as a function of the dot radius and different values of the pressure in the presence of conduction band non-parabolicity effect. The results we arrived at are as follows： the incorporation of the band edge non-parabolicity increases the binding energies and decreases the absolute value of the diamagnetic susceptibility for a given pressure and radius; the binding energies increase and the magnitude of the diamagnetic susceptibility reduces with increasing pressure.

Hydrogenic donor impurity states and intersubband optical absorption spectra of monolayer transition metal dichalcogenides in dielectric environments

The hydrogenic donor impurity states and intersubband optical absorption spectra in monolayer transition metal dichalcogenides(ML TMDs) under dielectric environments are theoretically investigated based on a two-dimensional(2D)nonorthogonal associated Laguerre basis set. The 2D quantum confinement effect together with the strongly reduced dielectric screening results in the strong attractive Coulomb potential between electron and donor ion, with exceptionally large impurity binding energy and huge intersubband oscillator strength. These lead to the strong interaction of the electron with light in a 2D regime. The intersubband optical absorption spectra exhibit strong absorption lines of the non-hydrogenic Rydberg series in the mid-infrared range of light. The strength of the Coulomb potential can be controlled by changing the dielectric environment. The electron affinity difference leads to charge transfer between ML TMD and the dielectric environment, generating the polarization-electric field in ML TMD accompanied by weakening the Coulomb interaction strength. The larger the dielectric constant of the dielectric environment, the more the charge transfer is, accompanied by the larger polarization-electric field and the stronger dielectric screening. The dielectric environment is shown to provide an efficient tool to tune the wavelength and output of the mid-infrared intersubband devices based on ML TMDs.

Linear and Nonlinear Optical Properties of Spherical Quantum Dots:Effects of Hydrogenic Impurity and Conduction Band Non-Parabolicity

Simultaneous effects of an on-center hydrogenic impurity and band edge non-parabolicity on intersubband optical absorption coefficients and refractive index changes of a typical GaAs/AlxGa1-xAs spherical quantum dot are theoretically investigated, using the Luttinger-Kohn effective mass equation. So, electronic structure and optical properties of the system are studied by means of the matrix diagonalization technique and compact density matrix approach, respectively. Finally, effects of an impurity, band edge non-parabolicity, incident light intensity and the dot size on the linear, the third-order nonlinear and the total optical absorption coemcients and refractive index changes are investigated. Our results indicate that, the magnitudes of these optical quantities increase and their peaks shift to higher energies as the influences of the impurity and the band edge non-parabolicity are considered. Moreover, incident light intensity and the dot size have considerable effects on the optical absorption coefficients and refractive index changes.

Magnetic field and temperature dependence of the properties of the ground state of the strong-coupling bound magnetopolaron in quantum rods with hydrogenic impurity

Magnetic field and temperature dependence of the properties of the ground state of the strong-coupling bound magnetopolaron in quantum rods （QRs） with hydrogenic impurity is studied by means of the Huybrechts- Lee-Low-Pines transformation method and the quantum statistical theory. The expressions for the ground-state energy and the mean number ofphonons of the magnetopolaron are derived. Results of the numerical calculations show that the bound state of the magnetopolaron cannot be formed when the value of the aspect ratio of the QR, the dielectric constant ratio, the electron-phonon coupling strength or the temperature parameter is small. The larger the deviation of the value of aspect ratio e′ from 1 is, the more it is unfavorable to the stability of the ground state of the magnetopolaron. When the magnetopolaron is in the bound state, the absolute value of its ground-state energy and its mean number ofphonons increase with an increase of the dielectric constant ratio and confinement strength of QRs, but decrease with an increase in the cyclotron frequency of the external magnetic field and the temperature. The absolute value of the ground-state energy and the mean number of phonons of the magnetopolaron decrease with decreasing e′ when e′ 〈 1, but decrease with increasing e′ when e′ 〉 1. They get the maximum value at e′=1.

Electronic States of a Shallow Hydrogenic Donor Impurity in Different Shaped Semiconductor Quantum Wells

The shallow hydrogenic donor impurity states in square, V-shaped, and parabolic quantum wells are studied in the framework of effective-mass envelope-function theory using the plane wave basis. The first four impurity energy levels and binding energy of the ground state are more easily calculated than with the variation method. The calculation results indicate that impurity energy levels decrease with the increase of the well width and decrease quickly when the well width is small. The binding energy of the ground state increases until it reaches a maximum value, and then decreases as the well width increases. The results are meaningful and can be widely applied in the design of various optoelectronie devices.

Binding Energy and Photoionization of Hydrogenic Impurities in GaAs/Ga_(1-x)Al_xAs Quantum Well Wires

The binding energy and the photon energy dependence of the photoionization cross-section are calculated for a hydrogenic impurity in GaAs/Ga 1-xAl xAs quantum well wires.The correlation between confined and non-confined direction of the wire in the variational wave function is taken into account.The results show that the photoionization cross-sections are affected by the width of the wire and that their magnitudes are larger than those in infinite potential quantum well wires.In comparison with previous's results,the variational wave function improves the binding energy and decreases the value of photoionization cross-sections of the hydrogenic impurities,which makes the results more reasonable.

Stark Effect Dependence on Hydrogenic Impurities in GaAs Parabolic Quantum-Well Wires

The ground-state and lowest excited-state binding energies of a hydrogenic impurity in GaAs parabolic quantum-well wires （Q WWs） subjected to external electric and magnetic fields are investigated using the finite-difference method within the quasi-one-dimensional effective potential model. We define an effective radius Pen of a cylindrical QWW, which can describe the strength of the lateral confinement. For the ground state, the position of the largest probability density of electron in x-y plane is located at a point, while for the lowest excited state, is located on a circularity whose radius is Pen. The point and circularity are pushed along the left haft of the center axis of the quantum-well wire by the electric field dire ted along the right half. When an impurity is located at the point or within the circularity, the ground-state or lowest excited-state binding energies are the largest; when the impurity is apart from the point or circularity, the ground-state or lowest excited-state binding energies start to decrease.

Impurity-related electronic properties in quantum dots under electric and magnetic fields

This paper presents a systematic study of the ground-state binding energies of a hydrogenic impurity in quantura dots subjected to external electric and magnetic fields. The quantum dot is modeled by superposing a lateral parabolic potential, a Gaussian potential and the energies are calculated via the finite-difference method within the effectivemass approximation. The variation of the binding energy with the lateral confinement, external field, position of the impurity, and quantum-size is studied in detail. All these factors lead to complicated binding energies of the donor, and the following results are found： （1） the binding energies of the donor increase with the increasing magnetic strength and lateral confinement, and reduce with the increasing electric strength and the dot size; （2） there is a maximum value of the binding energies as the impurity placed in different positions along the z direction; （3） the electric field destroys the symmetric behaviour of the donor binding energies as the position of the impurity.

Optimization of hydrogen networks with multiple impurities and impurity removal

To explore the effect of removing different impurities to hydrogen networks, an MINLP model is proposed with all matching possibilities and the trade-off between operation cost and capital cost is considered. Furthermore,the impurity remover, hydrogen distribution, compressor and pipe setting are included in the model. Based on this model, the impurity and source(s) that are in higher priority for impurity removal, the optimal targeted concentration, and the hydrogen network with the minimum annual cost can be identified. The efficiency of the proposed model is verified by a case study.

Electron energy states in a two-dimensional GaAs quantum ring with hydrogenic donor impurity in the presence of magnetic field

Using the finite element method, we investigate the lowest and first few excited state energies in a two- dimensional GaAs quantum ring （QR） with a hydrogenic donor impurity and effective mass approximation under a uniform magnetic field perpendicular to the ring plane. We study in detail the dependence of the energy spectrum with different angular momentum on the inner radius, the outer radius and width of the QR, the magnetic field and impurity position. The results reveal that the electron energies increase with the inner radius while decrease with the outer radius and width of the QR; for a fixed ring, the magnetic field induces the increase of the electron energies. Moreover, the existence of impurity reduces energy levels, and the energy levels depend highly on the impurity position, which decreases as the impurity is far away from the center of the QR. Also, the dependence of the angular momentum on the energy spectrum is analyzed in detail.

Effects of Electric Field on Electronic States in a GaAs/GaAlAs Quantum Dot with Different Confinements

Binding energies of shallow hydrogenic impurity in a GaAs/GaAlAs quantum dot with spherical confinement, parabolic confinement and rectangular confinement are calculated as a function of dot radius in the influence of electric field. The binding energy is calculated following a variational procedure within the effective mass approximation along with the spatial depended dielectric function. A finite confining potential well with depth is determined by the discontinuity of the band gap in the quantum dot and the cladding. It is found that the contribution of spatially dependent screening effects are small for a donor impurity and it is concluded that the rectangulax confinement is better than the parabolic and spherical confinements. These results are compared with the existing literature.

Effect of hydrogen impurities on hydrogen oxidation activity of Pt/C catalyst in proton exchange membrane fuel cells

High-purity of hydrogen is vital to the guarantee of end usage in proton exchange membrane fuel cell(PEMFC)electric vehicles(EVs)with superior durability and low expense.However,the currently employed hydrogen,primarily from fossil fuel,still contains some poisoning impurities that significantly affect the durability of PEMFCs.Here,we investigate the poisoning effect of several typical hydrogen impurities(S^(2-),Cl^(-),HCOO^(-)and CO_(3)^(2-))on the hydrogen oxidation reaction(HOR)of the state-of-the-art carbon-supported platinum(Pt/C)catalyst used in the PEMFC anode.Electrochemical results indicate that the electrochemically active surface area of Pt/C is hampered by these hydrogen impurities with reduced effective Pt reactive sites due to the competitive adsorption against hydrogen at Pt sites showing the extent of the poisoning on Pt sites in the order:S^(2-)>Cl^(-)>HCOO^(-)>CO_(3)^(2-).Density functional theory calculations reveal that the adsorption energy of S2-on Pt(111)is greater than that of Cl^(-),HCOO^(-)and CO_(2),and the electronic structure of Pt is found to be changed due to the adsorption of impurities showing the downshift of the d-band centre of Pt that weakens the adsorption of hydrogen on the Pt sites.This work provides valuable guidance for future optimization of hydrogen quality and also emphasizes the importance of anti-poisoning anode catalyst development,especially towards H_(2)S impurities that seriously affect the durability of PEMFCs.