Article ID Journal Published Year Pages File Type
1809095 Physica B: Condensed Matter 2015 7 Pages PDF
Abstract
Carbon nanotube functionalization for designing devices with atomic precision has been of great importance in recent years. This article studies the vibration behavior of single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) functionalized with amine and amide groups employing molecular dynamics (MD) simulations. The results demonstrate that the natural frequency of CNTs reduces considerably through attaching functional groups to them. Also, it is demonstrated that the natural frequency of DWCNTs is less sensitive to functional groups in comparison with their constituent inner and outer functionalized tubes. Further, it is indicated that the functionalization performed has its most pronounced effect on SWCNTs with small aspect ratios.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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