Chemical Review and Letters

Electric field-dependent ion selectivity in armchair silicon carbide nanotubes: A molecular dynamics study

Document Type : Research Article

Author

Jafar Azamat

Department of Chemistry Education, Farhangian University, P.O. Box 14665-889, Tehran, Iran

https://doi.org/10.22034/crl.2025.528864.1625
Abstract
Utilizing molecular dynamics simulations, this study investigates the mechanisms underlying the transport of magnesium (Mg²⁺) and chloride (Cl⁻) ions through armchair silicon carbide nanotubes (SiCNTs). The simulation framework consisted of a silicon carbide nanotube embedded within a silicon nitride membrane, submerged in an aqueous ionic solution under the influence of an external electric field. Key dynamical and structural properties were analyzed, including ionic current profiles, potential of mean force, ion retention times within the nanotube, radial distribution functions, and the ratio of water molecules transported relative to ions. The findings reveal a strong correlation between nanotube diameter and ion permeation efficiency, with narrower nanotubes exhibiting distinct selectivity and transport kinetics. This diameter-dependent behavior highlights the potential for tailoring SiCNT dimensions to regulate ion flux. Consequently, the study proposes these nanotube-membrane systems as promising prototypes for designing biomimetic ion channels or nanofluidic filtration devices. The results underscore the role of nanoscale confinement and electrostatic interactions in modulating ion transport, offering insights for applications in molecular separation technologies or synthetic biological systems.

Graphical Abstract

Electric field-dependent ion selectivity in armchair silicon carbide nanotubes: A molecular dynamics study

Keywords

Molecular dynamics simulations
Silicon carbide nanotube, External electric field, Selectivity, Ion channels

Subjects

Chemical Review and Letters
Volume 8, Issue 6 - Serial Number 6
November and December 2025
Pages 1146-1154

  • Receive Date 07 June 2025
  • Revise Date 03 August 2025
  • Accept Date 09 August 2025

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