NDLI: Collapse and Stability of functionalized Carbon Nanotubes on Fe (1 0 0) Surface

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Collapse and Stability of functionalized Carbon Nanotubes on Fe (1 0 0) Surface

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Collapse and Stability of functionalized Carbon Nanotubes on Fe (1 0 0) Surface

Content Provider	Royal Society of Chemistry (RSC)
Author	Xue, Qing-Zhong Ling, Cui-Cui Jing, Nuan-Nuan Xia, Dan
Copyright Year	2012
Abstract	The collapse and stability of carbon nanotubes (CNTs) functionalized by corrosion inhibitor molecules on the Fe (1 0 0) surface were studied using molecular mechanics and molecular dynamics simulations. The results show that the pristine CNTs can approach and even collapse spontaneously onto the Fe surface due to the van der Waals force between them when the CNT diameter exceeds a certain threshold. To avoid collapse of the CNTs, they are randomly side-functionalized by three corrosion inhibitors. When the modification coverage exceeds 4.33%, these modified CNTs can basically maintain their cylindrical structures on the Fe surface. The CNTs, randomly modified by appropriate inhibitor groups, can maintain their cylindrical structure stably, giving them the potential to be used as nanocontainers for maintaining or transporting molecules, etc. Moreover, our findings have great practical significance, and CNTs modified by the organic inhibitor groups can be considered to be environmentally-friendly corrosion inhibitors, which can provide some guidance towards understanding corrosion resistance of CNT-inhibitor composites.
Starting Page	7549
Ending Page	7556
Page Count	8
File Format	HTM / HTML PDF
ISSN	20462069
Volume Number	2
Issue Number	19
Journal	RSC Advances
DOI	10.1039/c2ra20554h
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Carbon nanotube Molecular mechanics Corrosion CNT Molecular dynamics Enzyme inhibitor Corrosion inhibitor Van der Waals force
Content Type	Text
Resource Type	Article
Subject	Chemistry Chemical Engineering

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