The effect of the charge pattern on the applicability of a nanopore as a sensor

Eszter Mádai, Mónika Valiskó, D. Boda

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

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 ions of the background electrolyte (KCl), and, thus, the ionic current flowing through the pore is changed. Analyte concentration can be determined from calibration curves. In our previous study (Mádai et al. J. Chem. Phys., 147(24):244702, 2017.), we proposed a symmetric model (surface charge is negative all along the pore). The mechanism of sensing was a competition between K + and positive analyte ions, so increasing analyte concentration decreased K + current. Here we allow asymmetric charge patterns on the pore wall (positive/negative/neutral along the pore), thus, gaining an additional device function, rectification, resulting in a dual responsive device. We find that a bipolar nanopore is an efficient geometry with Cl ions being the main charge carriers. The mechanism of sensing is that more positive analyte ions attract more Cl ions into the pore thus increasing the current. Also they make the pore less asymmetric and, thus, decrease rectification. We use a hybrid computer simulation method, where a generalization of the grand canonical Monte Carlo method to non-equilibrium (Local Equilibrium Monte Carlo) is coupled to the Nernst-Planck equation with which the flux is computed.

Original languageEnglish
Pages (from-to)391-398
Number of pages8
JournalJournal of Molecular Liquids
Volume283
DOIs
Publication statusPublished - Jun 1 2019

Fingerprint

Nanopores
Ions
porosity
sensors
Sensors
Electrolytes
rectification
ions
positive ions
Positive ions
Hybrid computers
hybrid computers
electrolytes
Surface charge
Charge carriers
Monte Carlo methods
Monte Carlo method
Calibration
charge carriers
Fluxes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

The effect of the charge pattern on the applicability of a nanopore as a sensor. / Mádai, Eszter; Valiskó, Mónika; Boda, D.

In: Journal of Molecular Liquids, Vol. 283, 01.06.2019, p. 391-398.

Research output: Contribution to journalArticle

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