Related papers: Electrostatic models of electron-driven proton tra…
The discharge structure of inductively coupled plasma is studied via fluid simulation and analytic theory collaboration. At low pressure, the discharge is stratified by the double layer, which is modelled as dipole moment. The parabolic…
We report transport measurements on a semiconductor quantum dot with a small number of confined electrons. In the Coulomb blockade regime, conduction is dominated by cotunneling processes. These can be either elastic or inelastic, depending…
We present theoretical work in which the degree of electrostatic coupling across a charged lipid bilayer in aqueous solution is analyzed on the basis of nonlinear Poisson-Boltzmann theory. In particular, we consider the electrostatic…
We investigate the translocation of rods with different charge distributions using hybrid Langevin Dynamics and Lattice Boltzmann (LD-LB) simulations. Electrostatic interactions are added to the system using the $P^3M$ algorithm to model…
This paper presents a new homogenized model of two-component electrolyte transport through a weakly piezoelectric porous medium. The model relevant to the microscopic scale describes quasi-stationary states of the medium while reflecting…
We present an {\it ab initio} analysis of electron conduction through a $C_{60}$ molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied…
Charge transport in porous electrodes is foundational for modern energy storage technologies like supercapacitors, fuel cells, and batteries. Supercapacitors in particular rely solely on storing energy in charged pores. Here, we simulate…
We investigate non-equilibrium two-electron transfer in a model redox system represented by a two-site extended Hubbard model and embedded in a dissipative environment. The influence of the electron-electron interactions and the coupling to…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…
We study the electrophoretic mobility of spherical charged colloids in a low-salt suspension as a function of the colloidal concentration. Using an effective particle charge and a reduced screening parameter, we map the data for systems…
Ultrafast multistage electron transfer (ET) in molecular systems with multiple redox centers is fundamental to photochemical energy conversion, including processes in natural photosynthesis, molecular optoelectronics, and organic…
The hydrogen atom with the Coulomb interaction is one of the exactly solvable non-relativistic quantum models. Unlike many other exactly solvable models it describes a real physical object providing the formulas for energy levels and…
In this paper we report the theory describing the electro-osmotic flow in charged nanopores with constant radius and charge density driven by alternating current. We solve the ion and solution transport in unsteady conditions as described…
We study the electronic thermal drag in two different Coulomb-coupled systems, the first one composed of two Coulomb blockaded metallic islands and the second one consisting of two parallel quantum wires. The two conductors of each system…
The spinless resonant level model is studied when it is coupled by hopping to one of the arbitrary number of conduction electron channels. The Coulomb interaction acts between the electron on the impurity and in the different channels. In…
We study the dynamics of charge and energy currents in a Coulomb-coupled double quantum dot system, when only one of the two dots is adiabatically driven by a time-periodic gate that modulates its energy level. Although the Coulomb coupling…
Probably the most fundamental processes for biological systems is their ability to create themselves through the use of cell division and cell differentiation. In this work a simple physical model is proposed for biological cell division.…
In molecular simulations, machine-learning force fields can achieve ab initio accuracy at a lower cost but remain limited in the explicit modeling of electrons. In this work, we develop an electron-aware machine-learning force field, in…
A novel mechanism for switching a molecular junction based on a proton transfer reaction triggered by an external electrostatic field is proposed. As a specific example to demonstrate the feasibility of the mechanism, the tautomers…
The mathematical modeling and numerical simulation of semiconductor-electrolyte systems play important roles in the design of high-performance semiconductor-liquid junction solar cells. In this work, we propose a macroscopic mathematical…