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Computer simulation of AgI|Si<sub>3</sub>O<sub>6</sub> complex nanocomposites in single-wall carbon nanotubes
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Computer simulation of AgI|Si<sub>3</sub>O<sub>6</sub> complex nanocomposites in single-wall carbon nanotubes
Annotation
PII
S0023476125010169-1
Publication type
Article
Status
Published
Authors
А. V. Petrov 
Affiliation: Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics of NRC “Kurchatov Institute”
Edition
Volume 70 Issue number 1
Pages
119-125
Abstract
The method of molecular dynamics has been used to simulate heteronanostructures formed when silver iodide and silicon oxide nanoparticles are filling single-walled carbon nanotubes of the “armchair” type (12,12). The results of computer modeling show that stable nanostructured “internal nanocomposites” with AgI inclusions and silicon oxide clusters of various configurations can be formed in such tubes. Si3O6 clusters of linear and planar types have varying degrees of influence on the mobility of silver ions in the studied complex heteronanostructures of AgI|Si3O6@SWCNT.
Received
04.04.2025
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