2010
DOI: 10.1021/jz9004027
|View full text |Cite
|
Sign up to set email alerts
|

Chiral Asymmetry of Helical Polymer Nanowires

Abstract: We have employed force-field molecular dynamics and first-principles calculations for the helical formation of isotactic poly(2-methoxystyrene) nanowires. Our calculation results reveal the self-assembly of left- and right-handed helical nanorods. The energy of the helical conformations depends on the chiral center as well as linkages among neighboring methoxy benzene groups. The implications of these results for understanding experimentally observed chiral asymmetry of left- and right-handed nanowires are dis… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1

Citation Types

0
10
0

Year Published

2011
2011
2016
2016

Publication Types

Select...
8
1

Relationship

4
5

Authors

Journals

citations
Cited by 10 publications
(10 citation statements)
references
References 17 publications
0
10
0
Order By: Relevance
“…Computational results demonstrate that the semi-rigid aromatic polystyrene backbone has certain flexibility to adjust its conformation during successive helical wrapping. [42][43][44][45] The initial sets of calculations were carried out using pristine SWNTs. The same calculation procedure and the parameters have been employed for three conformations (isotactic, atactic, and syndiotactic) of polystyrene-wrapped carbon nanotubes.…”
Section: Resultsmentioning
confidence: 99%
“…Computational results demonstrate that the semi-rigid aromatic polystyrene backbone has certain flexibility to adjust its conformation during successive helical wrapping. [42][43][44][45] The initial sets of calculations were carried out using pristine SWNTs. The same calculation procedure and the parameters have been employed for three conformations (isotactic, atactic, and syndiotactic) of polystyrene-wrapped carbon nanotubes.…”
Section: Resultsmentioning
confidence: 99%
“…8 We believe this has to do with the specific size of the SWCNTs. Finally, 1% SWCNT content in the fibers results in fibers which are sufficiently electroactive for our study.…”
Section: Discussionmentioning
confidence: 99%
“…The blending of polymer assembly and fullerenes C 60 (ref. 3) and carbon nanotube 4 have been also studied by experimental and theoretical methods and access lots of emergent properties.…”
Section: Introductionmentioning
confidence: 99%