Related papers: Simulation study of a rectifying bipolar ion chann…
We performed all-atom molecular dynamics simulations studying the partition of ions and the ionic current through the bacterial porin OmpF and two selected mutants. The study is motivated by new interesting experimental findings concerning…
Ion transport in biological and synthetic nanochannels is characterized by phenomena such as ion current fluctuations and rectification. Recently, it has been demonstrated that nanofabricated synthetic pores can mimic transport properties…
We have investigated ion current rectification properties of a recently prepared bipolar nanofluidic diode. This device is based on a single conically shaped nanopore in a polymer film whose pore walls contain a sharp boundary between…
In a multiscale modeling approach, we present computer simulation results for a rectifying bipolar nanopore on two modeling levels. In an all-atom model, we use explicit water to simulate ion transport directly with the molecular dynamics…
We demonstrate a molecular rectifying junction made from a sequential self-assembly on silicon. The device structure consists of only one conjugated (p) group and an alkyl spacer chain. We obtain rectification ratios up to 37 and threshold…
Junctions of doped Mott insulators offer a route to rectification at frequencies beyond the terahertz range. Mott insulators have strong electronic correlations and therefore short timescales for electron-electron scattering. It is this…
We model and simulate a nanopore sensor that selectively binds analyte ions. This binding leads to the modulation of the local concentrations of the ions of the background electrolyte (KCl), and, thus, to the modulation of the ionic current…
Nanopores attracted a great deal of scientific interest as templates for biological sensors as well as model systems to understand transport phenomena at the nanoscale. The experimental and theoretical analysis of nanopores has been so far…
A model-independent expression for the Dalitz plot of the semileptonic decays of a neutral kaon $K_{\mu 3}^0$, including radiative corrections to order $\mathcal{O}[(\alpha / \pi )(q/M_1)]$, where $q$ is the four-momentum transfer and $M_1$…
We present a scaling behavior of a rectifying bipolar nanopore as a function of the parameter $\xi=R_{\mathrm{P}}/(\lambda z_{\mathrm{if}})$, where $R_{\mathrm{P}}$ is the radius of the pore, $\lambda$ is the characteristic screening length…
This paper presents an efficient finite element iterative method for solving a nonuniform size-modified Poisson-Nernst-Planck ion channel (SMPNPIC) model, along with a SMPNPIC program package that works for an ion channel protein with a…
Bipolar nanofluidic diode is based on nanopore with positive and negative surface charges separated by a junction. This paper investigates the effects of the pore structure, taking the bullet-like pore as an example, on the ion current…
A simple pillbox model with two adjustable parameters accounts for the selectivity of both DEEA Ca channels and DEKA Na channels in many ionic solutions of different composition and concentration. Only the side chains are different in the…
Ion transport through narrow channels is described by the coupled Poisson--Nernst--Planck--Stokes equations (PNPS) on a continuum scale. However, direct numerical simulations in two or three dimensions of boundary value problems for small…
We study ionic liquids composed 1-alkyl-3-methylimidazolium cations and bis(trifluoromethyl-sulfonyl)imide anions ([C$_n$MIm][NTf$_2$]) with varying chain-length $n\!=\!2, 4, 6, 8$ by using molecular dynamics simulations. We show that a…
We consider integrated circuits with semiconductors modeled by modified nodal analysis and drift-diffusion equations. The drift-diffusion equations are discretized in space using mixed finite element method. This discretization yields a…
A minimal model for coherent transport through a donor/acceptor molecular junction is presented. The two donor and acceptor sites are described by single levels energetically separated by an intramolecular tunnel barrier. In the limit of…
Rectification properties of semiconductor p-n junction diodes are the basic and important characteristics for electronic device evaluation, especially for novel semiconductor materials. Today's semiconductor devices' fabrication and…
In this article we address the three-dimensional modeling and simulation of biological ion channels using a continuum-based approach. Our multi-physics formulation self-consistently combines, to the best of our knowledge for the first time,…
We report experimental implementation of various types of qubit channels using an individual trapped ion. We analyzed experimental data and we performed tomographic reconstruction of quantum channels based on these data. Specifically, we…