Molecular Dynamics Simulation Study on the Carbon NanotubeInteracting with a Polymer

Using molecular dynamics simulation method, we studied the carbon nanotube (CNT) non-covalently interacting with a polymer. As the polymer coiled around the CNT, the diameter of CNT deformed by more than 40% of its original value within 50 ps. By considering three different polymers, we conclude tha...

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Bibliographic Details
Published inBulletin of the Korean Chemical Society Vol. 33; no. 3; pp. 893 - 896
Main Authors Saha, Leton C, Mian, Shabeer A, Jang, Joon-Kyung
Format Journal Article
LanguageKorean
Published 2012
Subjects
Carbon nanotube
Deformation
Binding energy
Polymer
Molecular dynamics simulation
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Summary:Using molecular dynamics simulation method, we studied the carbon nanotube (CNT) non-covalently interacting with a polymer. As the polymer coiled around the CNT, the diameter of CNT deformed by more than 40% of its original value within 50 ps. By considering three different polymers, we conclude that the interaction between the CNT and polymer is governed by the number of repeating units in the polymer, not by the molecular weight of polymer.
Bibliography:KISTI1.1003/JNL.JAKO201210348675951
ISSN:0253-2964
1229-5949