Helical wrapping of conjugated polymers around single-walled carbon nanotubes, 2011

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Since 23 July 2019

Title: Helical wrapping of conjugated polymers around single-walled carbon nanotubes, 2011
Author: Suggs, Kelvin L.
Decade: 2010-2019
Abstract: In this thesis we discuss the molecular dynamics simulation study of two conjugated polymers wrapping around single-walled carbon nanotubes (SWNTs). One is the widely used PmPV and the other is a PPE-PPV co-polymer. The molecular dynamics study shows that both polymers can wrap helically around SWNTs. The binding energy for each wrapped species is extracted, and is found to be sensitive to the contact area between the polymers benzene ring and the underlying parallel carbon nanotube. Our results indicate that the larger the diameters of SWNTs, the greater the binding energy due to the reduction in the misalignment and the increase of ?- ? interactions. This provides useful information for experimental studies.
Document Type: text
Format: application/pdf
Date of Award: 2011-12-01
Degree Type: thesis
Degree Name: Master of Science (MS)
Granting Institution: Clark Atlanta University
Department: School of Arts and Sciences, Physics
Advisor: Wang, Xiao-Qian
Msezane, Alfred
Nduwimana, Alexis
Institution: Clark Atlanta University
Geographic Location: Georgia--Atlanta
Handle: http://hdl.handle.net/20.500.12322/cau.td:2011_suggs_kelvin_l