相关论文: Computing the Helmholtz Capacitance of Charged Ins…
We explain how to use smooth bivariate splines of arbitrary degree to solve the exterior Helmholtz equation based on a Perfectly Matched Layer (PML) technique. In a previous study (cf. [26]), it was shown that bivariate spline functions of…
Water molecules are traditionally regarded as passive dielectric media in electrochemical systems. In this work, we challenge this conventional perspective using molecular dynamics simulations and theoretical analysis. We show that…
Potential-based formulation with generalized Lorenz gauge can be used in the quantization of electromagnetic fields in inhomogeneous media. However, one often faces the redundancy of modes when finding eigenmodes from potential-based…
We formulate a three-dimensional semi-classical model to address triple and double ionization in three-electron atoms driven by intense infrared laser pulses. During time propagation, our model fully accounts for the Coulomb singularities,…
We study systems containing electrons and nuclei. Based on the fact that the thermodynamic limit exists for systems with Dirichlet boundary conditions, we prove that the same limit is obtained if one imposes other boundary conditions such…
First-order electric dipole response functions are implemented for cavity quantum electrodynamics (QED) generalizations of Hartree-Fock (HF) and Kohn-Sham density functional theory (DFT) in order to assess the degree to which static…
The double-layer potential plays an important role in solving boundary value problems for elliptic equations, and in the study of which for a certain equation, the properties of the fundamental solutions of the given equation are used. All…
The double-layer potential plays an important r$\hat{\rm o}$le in solving boundary value problems of elliptic equations. Here, in this paper, we aim at introducing and investigating double layer potentials for a generalized bi-axially…
Predictive simulation of electrochemical interfaces requires atomistic models that capture reactive bond rearrangements, long-range electrostatics, and charge distributions reflecting the electronic distinctness of electrode and…
Ionic liquids (ILs) are an extremely exciting class of electrolytes for energy storage applications because of their unique combination of properties. Upon dissolving alkali metal salts, such as Li or Na based salts, with the same anion as…
The device of electric double-layer transistor (EDLT) with ionic liquid has been employed as an effective way to dope carriers over a wide range, which can induce metallic state, magnetic reconstruction and superconducting transition.…
Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method. To be specific, precise energy eigenvalues of bound…
Supercapacitors have been attracting significant attention as promising energy storage devices. However, the voltage window limitation associated with electrolyte solutions has hindered the improvement of their capacitance. To address this…
An analytical formula for electrical impedance between an adherent living cell and sensor substrate measured using a microelectrode is presented for the first time. Previously-reported formula has been applicable only for the case where…
The rapid charging and/or discharging of electrochemical cells can lead to localized depletion of electrolyte concentration. This depletion can significantly impact the system's time dependent resistance. For systems with porous electrodes,…
Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this…
We study the response of a model micro-electrochemical cell to a large ac voltage of frequency comparable to the inverse cell relaxation time. To bring out the basic physics, we consider the simplest possible model of a symmetric binary…
The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute…
We study a system of heteronuclear molecules on a triangular lattice and analyze the potential of this system for the experimental realization of a supersolid phase. The ground state phase diagram contains superfluid, solid and supersolid…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…