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Abstract <p>The heteronanostructures formed upon filling single-wall (12,12) armchair nanotubes with silver iodide and silicon oxide nanoparticles have been simulated by the molecular dynamics method. The results of the computer simulation show that the formation of stable internal nanocomposites with inclusions of AgI and silicon oxide clusters of different configuration is possible in these tubes. The linear and planar Si<sub>3</sub>O<sub>6</sub> clusters differently affect the mobility of silver ions in the complicated AgI|Si<sub>3</sub>O<sub>6</sub>@SWCNT heteronanostructures under study.</p>

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Computer Simulation of AgI|Si3O6 Complex Nanocomposites in Single-Wall Carbon Nanotubes

  • 期刊论文

  • 发表日期：

    2025年2月1日

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  • A. V. Petrov,
  • I. V. Murin,
  • A. K. Ivanov-Schitz

摘要

Abstract

The heteronanostructures formed upon filling single-wall (12,12) armchair nanotubes with silver iodide and silicon oxide nanoparticles have been simulated by the molecular dynamics method. The results of the computer simulation show that the formation of stable internal nanocomposites with inclusions of AgI and silicon oxide clusters of different configuration is possible in these tubes. The linear and planar Si3O6 clusters differently affect the mobility of silver ions in the complicated AgI|Si3O6@SWCNT heteronanostructures under study.