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

Collection:
Atlanta University and Clark Atlanta University Theses and Dissertations
Title:
Helical wrapping of conjugated polymers around single-walled carbon nanotubes, 2011
Creator:
Suggs, Kelvin L.
Contributor to Resource:
Wang, Xiao-Qian
Msezane, Alfred
Nduwimana, Alexis
Date of Original:
2011-12-01
Subject:
Degrees, Academic
Dissertations, Academic
Location:
United States, Georgia, Fulton County, Atlanta, 33.749, -84.38798
Medium:
dissertations
theses
Type:
Text
Format:
application/pdf
Description:
Degree Type: thesis
Degree Name: Master of Science (MS)
Date of Degree: 2011
Granting Institution: Clark Atlanta University
Department/ School: School of Arts and Sciences, Physics
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.
Metadata URL:
http://hdl.handle.net/20.500.12322/cau.td:2011_suggs_kelvin_l
Language:
eng
Holding Institution:
Clark Atlanta University
Rights:
Rights Statement information

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