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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…

Applied Physics · Physics 2019-11-07 Eszter Mádai , Mónika Valiskó , Dezső Boda

Bipolar nanopores, with asymmetric charge distributions, can induce significant ionic current rectification (ICR) at ultra-short lengths, finding potential applications in nanofluidic devices, energy conversion, and other related fields.…

Chemical Physics · Physics 2024-10-29 Hongwen Zhang , Long Ma , Chao Zhang , Yinghua Qiu

Bipolar nanochannels comprising two domains of positively and negatively charged walls along the pore axis are known to rectify current when exposed to an electric potential bias. We find that addition of charged nanoparticles can increase…

Ionic Current Rectification (ICR) can appear in nanopores, causing a diode-like behavior that originates from different efficiency of ion transport through the pore channel with respect to the applied voltage bias polarity. This effect is…

Using the hypernetted-chain/mean spherical approximation (HNC/MSA) integral equations we study the electrical double layer inside and outside a model charged cylindrical vesicle (nanopore) immersed into a primitive model macroions solution,…

Mesoscale and Nanoscale Physics · Physics 2017-10-04 E. González-Tovar , M. Lozada-Cassou

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…

Mesoscale and Nanoscale Physics · Physics 2020-11-17 Dávid Fertig , Bartłomiej Matejczyk , Mónika Valiskó , Dirk Gillespie , Dezső Boda

We investigate a model nanopore sensor that is able to detect analyte ions that are present in the electrolyte solution in very small concentrations. The nanopore selectively binds the analyte ions with which the local concentrations of the…

Applied Physics · Physics 2018-12-31 Eszter Mádai , Mónika Valiskó , Dezső Boda

We characterize the role of electrostatic fluctuations on the charge selectivity of cylindrical nanopores confining electrolyte mixtures. To this end, we develop an extended one-loop theory that can account for correlation effects induced…

Soft Condensed Matter · Physics 2014-03-05 Sahin Buyukdagli , T. Ala-Nissila

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…

Soft Condensed Matter · Physics 2013-09-11 Li-Jian Qu , Xinghua Zhang , Jie Fua , Lin Li , Dadong Yan

We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…

The anomalous mole fraction effect (AMFE) is widely regarded as a hallmark of calcium versus monovalent ion selectivity in negatively charged pores. While AMFE is well understood in highly cation-selective narrow ion channels, its…

Mesoscale and Nanoscale Physics · Physics 2026-02-24 Eszter Lakics , Mónika Valiskó , Dirk Gillespie , Dezső Boda

We have directly observed reversal of the polarity of charged surfaces in water upon the addition of tri- and quadrivalent ions using atomic force microscopy. The bulk concentration of multivalent ions at which charge inversion reversibly…

Statistical Mechanics · Physics 2009-11-10 K. Besteman , M. A. G. Zevenbergen , H. A. Heering , S. G. Lemay

The study of the electrical double layer lies at the heart of colloidal and interfacial science. The standard mean-field Poisson-Boltzmann (PB) theory is incapable of modeling many phenomena originated from ion correlation. An important…

Soft Condensed Matter · Physics 2022-09-26 Nikhil R. Agrawal , Rui Wang

The efficiency of nanopore-based polymer sensing devices depends on the fast capture of anionic polyelectrolytes by negatively charged pores. This requires the cancellation of the electrostatic barrier associated with repulsive polymer-pore…

Soft Condensed Matter · Physics 2017-10-25 Sahin Buyukdagli , Tapio Ala-Nissila

Confinement strongly influences electrochemical systems, where structural control has enabled advances in nanofluidics, sensing, and energy storage. In electric double-layer capacitors (EDLCs), or supercapacitors, energy density is governed…

Chemical Physics · Physics 2026-01-30 Bryce Rives , Filipe Henrique , Pawel Zuk , Ankur Gupta

Screening of a strongly charged macroion by oppositely charged colloidal particles, micelles, or short polyelectrolytes is considered. Due to strong lateral repulsion such multivalent counterions form a strongly correlated liquid at the…

Soft Condensed Matter · Physics 2009-10-31 T. T. Nguyen , A. Yu. Grosberg , B. I. Shklovskii

Ionic behaviors, including ion distributions and hydration characteristics at solid-liquid interfaces, are important research interests in many important applications, such as electric double-layer capacitors and water lubrication. Here, we…

Chemical Physics · Physics 2025-12-08 Bowen Ai , Zekun Gong , Long Ma , Hongwen Zhang , Tianyi Sui , Yinghua Qiu

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…

With controlled ionic current rectification (ICR) achieved through a strategically designed non-uniform surface charge distribution, short unipolar nanopores exhibit promising applications in nanofluidic sensors, ionic circuits, and ion…

Chemical Physics · Physics 2025-12-08 Hongwen Zhang , Long Ma , Di Liu , Tianyi Sui , Zuzanna S. Siwy , Yinghua Qiu

Nanopores that exhibit ionic current rectification (ICR) behave like diodes, such that they transport ions more efficiently in one direction than the other. Conical nanopores have been shown to rectify ionic current, but only those with at…

Chemical Physics · Physics 2022-06-08 Long Ma , Zhongwu Li , Zhishan Yuan , Chuanzhen Huang , Zuzanna S. Siwy , Yinghua Qiu
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