The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study
Ashot V Meltonyan
1
,
ARMEN H. POGHOSYAN
1
,
Serzhik H Sargsyan
2
,
Karine S Margaryan
3
,
ARAM A. SHAHINYAN
1
1
International Scientific-Educational Center of National Academy of Sciences, Yerevan, Armenia
|
Publication type: Journal Article
Publication date: 2020-03-19
scimago Q2
wos Q3
SJR: 0.505
CiteScore: 5.1
Impact factor: 2.8
ISSN: 10229760, 15728935
Materials Chemistry
Organic Chemistry
Polymers and Plastics
Abstract
This work is the continuation of our previous modeling results, where small polymeric unit adsorption properties on gold surface had been studied. In this report, the conformational features of long poly (vinylimidazole) (PVI) molecule on Au{111} facet has been examined by molecular dynamics method. We show that the long polymer binds to gold surface and more than 50% monomers are adsorbed on gold layer, where the adsorption energy value is estimated to be ~62.9 kJ/mol−1. Discussing the conformational aspects and statistics, Kuhn length, persistence length and characteristic ratio of polymeric chain have been determined and compared with literature results. It is stated that both for freely jointed chain and freely rotating chain models the characteristic ratio is ~3.5.
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Total citations:
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Citations from 2025:
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GOST
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Meltonyan A. V. et al. The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study // Journal of Polymer Research. 2020. Vol. 27. No. 4. 91
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Meltonyan A. V., POGHOSYAN A. H., Sargsyan S. H., Margaryan K. S., SHAHINYAN A. A. The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study // Journal of Polymer Research. 2020. Vol. 27. No. 4. 91
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TY - JOUR
DO - 10.1007/s10965-020-02075-8
UR - https://doi.org/10.1007/s10965-020-02075-8
TI - The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study
T2 - Journal of Polymer Research
AU - Meltonyan, Ashot V
AU - POGHOSYAN, ARMEN H.
AU - Sargsyan, Serzhik H
AU - Margaryan, Karine S
AU - SHAHINYAN, ARAM A.
PY - 2020
DA - 2020/03/19
PB - Springer Nature
IS - 4
VL - 27
SN - 1022-9760
SN - 1572-8935
ER -
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@article{2020_Meltonyan,
author = {Ashot V Meltonyan and ARMEN H. POGHOSYAN and Serzhik H Sargsyan and Karine S Margaryan and ARAM A. SHAHINYAN},
title = {The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study},
journal = {Journal of Polymer Research},
year = {2020},
volume = {27},
publisher = {Springer Nature},
month = {mar},
url = {https://doi.org/10.1007/s10965-020-02075-8},
number = {4},
pages = {91},
doi = {10.1007/s10965-020-02075-8}
}