Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Computer Simulation of AgI|Si3O6 Complex Nanocomposites in Single-Wall Carbon Nanotubes. / Петров, Андрей Витальевич; Мурин, Игорь Васильевич; Иванов-Шиц, Алексей Кириллович.
в: Crystallography Reports, Том 70, № 1, 04.2025, стр. 110-115.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Computer Simulation of AgI|Si3O6 Complex Nanocomposites in Single-Wall Carbon Nanotubes
AU - Петров, Андрей Витальевич
AU - Мурин, Игорь Васильевич
AU - Иванов-Шиц, Алексей Кириллович
PY - 2025/4
Y1 - 2025/4
N2 - 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.
AB - 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.
UR - https://www.mendeley.com/catalogue/0ebeb753-20b3-37fe-acda-50d3b3693895/
U2 - 10.1134/s1063774524601837
DO - 10.1134/s1063774524601837
M3 - Article
VL - 70
SP - 110
EP - 115
JO - Crystallography Reports
JF - Crystallography Reports
SN - 1063-7745
IS - 1
ER -
ID: 134755325