Theoretical simulation of the ion current rectification (ICR) in nano-pores based on the Poisson–Nernst–Planck (PNP) model

Literature Information

Publication Date 2013-10-21
DOI 10.1039/C3CP51712H
Impact Factor 3.676
Authors

Jingtao Wang, Minghui Zhang, Jin Zhai, Lei Jiang


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Abstract

Ion current rectification is an important phenomenon for diode-like nano-channels, which can give the ion-selectivity of the channel. Using the PNP model for theoretical simulation can help to investigate the ICR properties, as well as to calculate the rectification ratio and profile of ion concentration along the channel. In this review, we will present the main factors that will influence the ICR effect, which are the surface charge density, the electrolyte solution concentration gradient, and the shape or geometry of the nano-pore. The applications of the PNP model used for the theoretical simulation on these factors will also be discussed.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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