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Modeling Nanosized Single Molecule Objects: Dendronized Polymers Adsorbed onto Mica

Bertran, Oscar; Zhang, Baozhong LU ; Schlueter, A. Dieter; Kroeger, Martin and Aleman, Carlos (2015) In Journal of Physical Chemistry C 119(7). p.3746-3753
Abstract
We attempt to provide direct evidence for the suggested behavior of dendronized polymers as molecular objects (i.e., single shape persistent macromolecules). For this purpose, the microscopic structure of dendronized polymers adsorbed onto mica has been investigated using atomistic molecular dynamics simulations. We find that the shape of the second to fourth generation dendronized polymers is basically kept upon adsorption due to substantial backfolding within their interior. The fluctuation strength of the polymer backbones, which is seen to decrease with increasing generation, also indicates that these individual macromolecules exhibit molecular object behavior in the nanosize range.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
119
issue
7
pages
3746 - 3753
publisher
The American Chemical Society
external identifiers
  • wos:000349942400035
  • scopus:84923323692
ISSN
1932-7447
DOI
10.1021/jp510586r
language
English
LU publication?
yes
id
1993408c-8445-43da-9f68-ff610e776c87 (old id 5303927)
date added to LUP
2015-04-27 11:10:34
date last changed
2017-01-01 03:21:09
@article{1993408c-8445-43da-9f68-ff610e776c87,
  abstract     = {We attempt to provide direct evidence for the suggested behavior of dendronized polymers as molecular objects (i.e., single shape persistent macromolecules). For this purpose, the microscopic structure of dendronized polymers adsorbed onto mica has been investigated using atomistic molecular dynamics simulations. We find that the shape of the second to fourth generation dendronized polymers is basically kept upon adsorption due to substantial backfolding within their interior. The fluctuation strength of the polymer backbones, which is seen to decrease with increasing generation, also indicates that these individual macromolecules exhibit molecular object behavior in the nanosize range.},
  author       = {Bertran, Oscar and Zhang, Baozhong and Schlueter, A. Dieter and Kroeger, Martin and Aleman, Carlos},
  issn         = {1932-7447},
  language     = {eng},
  number       = {7},
  pages        = {3746--3753},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Modeling Nanosized Single Molecule Objects: Dendronized Polymers Adsorbed onto Mica},
  url          = {http://dx.doi.org/10.1021/jp510586r},
  volume       = {119},
  year         = {2015},
}