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.
Original languageEnglish
Pages (from-to)110-115
Number of pages6
JournalCrystallography Reports
Volume70
Issue number1
DOIs
StatePublished - Apr 2025

ID: 134755325