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Electrophoretic deposition of poly(3-decylthiophene) onto gold-mounted cadmium selenide nanorods

Date
2011
Abstract
Molecular mechanisms of electrophoretic deposition (EPD) of P3DT poly(3-decylthiophene) molecules onto vertically aligned cadmium selenide arrays have been studied using large-scale, nonequilibrium molecular dynamics (MD), in the absence and presence of static external electric fields. The field application and larger polymer charges accelerated EPD. Placement of multiple polymers at the same lateral displacement from the surface reduced average deposition times due to ‘crowding’, giving monolayer coverage. These findings were used to develop and validate Brownian dynamics simulations of multi-layer polymer EPD in scaled-up systems with larger inter-rod spacings, presenting a generalised picture in qualitative agreement with random sequential adsorption.
Supervisor
Description
peer-reviewed
Publisher
American Chemical Society
Citation
Langmuir;27(22), pp. 13506-13513
Collections
Chemical Sciences
Bernal Institute
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Garate_2011_deposition.pdf
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Keywords
molecular dynamics, gold surfaces, electric field, electrophoretic deposition, nanorod, cadmium selenide, P3HT, P3DT, light-conducting polymer, polyme-heterojunction solar cell
ULRR Identifiers
https://researchrepository.ul.ie/handle/10344/2977
 https://doi.org/10.34961/4576
Funding code
Funding Information
Science Foundation Ireland (SFI), HEANet, IBM, Irish Centre for High-End Computing (ICHEC)
Sustainable Development Goals
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Type
Article
Rights
https://creativecommons.org/licenses/by-nc-sa/1.0/
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