Computer simulation of AgI nanostructures in single-wall carbon nanotubes

被引：0
|
作者：
I. Yu. Gotlib
A. K. Ivanov-Shitz
I. V. Murin
A. V. Petrov
R. M. Zakalyukin
机构：
[1] St. Petersburg State University,Shubnikov Institute of Crystallography
[2] Russian Academy of Sciences,undefined
来源：
Inorganic Materials | 2010年 / 46卷
关键词：
Carbon Nanotubes; Inorganic Material; AgBr; Silver Iodide; Carbon Tube;
D O I：
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中图分类号：
学科分类号：
摘要：
Nanostructures resulting from the incorporation of silver iodide into single-wall carbon nanotubes (SWCNTs) of various diameters have been studied using molecular dynamics simulation. The results indicate the formation of single-wall silver iodide nanotubes when the SWCNT diameter is within 14.2 Å, whereas thicker carbon tubes contain, in addition, an axial “filament” of silver and iodide ions. AgI nanotubes in SWCNTs typically have a hexagonal structure (with the ions in trigonal coordination).
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页码：1375 / 1383
页数：8
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