- Title
- Selective adsorption of PVP on the surface of silver nanoparticles
- Creator
- Mdluli, Phumlani S
- Creator
- Sosibo, Ndabenhle M
- Creator
- Mashazi, Philani N
- Creator
- Nyokong, Tebello
- Creator
- Tshikhudo, Robert T
- Creator
- Skepu, Amanda
- Creator
- van der Lingen, Elma
- Subject
- To be catalogued
- Date Issued
- 2011
- Date
- 2011
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/247143
- Identifier
- vital:51550
- Identifier
- xlink:href="https://doi.org/10.1016/j.molstruc.2011.07.049"
- Description
- The use of surfactants to affect the shape evolution of silver nanoparticles is explored. This allows one to fine-tune the morphological evolution and the optical properties of the metal nanoparticles. Polyvinyl pyrrolidone (PVP) has been used as a surfactant to control the growth of silver nanoparticles at room temperature. In this paper, molecular dynamics simulations were performed to understand regio-selective adsorption of PVP that leads to the preferential growth of silver nanoparticles in dimethylformamide (DMF). The interaction energies between PVP and Ag(1 1 0), Ag(1 0 0) and Ag(1 1 1) crystal planes were calculated and in addition the length density profile of the surfactant on silver surfaces was also examined. Importantly, it has been demonstrated that the length distribution profiles analysis obtained from the molecular dynamics study fully explained the adsorption of PVP on the surface of silver nanoparticles through the carbonyl group of the PVP ring. The application of molecular dynamics simulation technique is important in understanding the evolution of silver nanoparticles and is vital in choosing the right surfactants.
- Format
- computer
- Format
- online resource
- Format
- application/pdf
- Format
- 1 online resource (7 pages)
- Format
- Publisher
- Elsevier
- Language
- English
- Relation
- Journal of Molecular Structure
- Relation
- Mdluli, P.S., Sosibo, N.M., Mashazi, P.N., Nyokong, T., Tshikhudo, R.T., Skepu, A. and van der Lingen, E., 2011. Selective adsorption of PVP on the surface of silver nanoparticles: a molecular dynamics study. Journal of Molecular Structure, 1004(1-3), pp.131-137
- Relation
- Journal of Molecular Structure volume 1004 number 1 - 3 p. 131 2011 0022-2860
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the Elsevier Terms and Conditions Statement (https://www.elsevier.com/legal/elsevier-website-terms-and-conditions)
- Rights
- Closed Access
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Collections
Mashazi, Philani N (Associate Prof)
Nyokong, Tebello (Distinguished Professor)
RU DST/NRF SARChI for Medicinal Chemistry and Nanotechnology
RU Department of Chemistry
| Thumbnail | File | Description | Size | Format | |||
|---|---|---|---|---|---|---|---|
| View Details Download | SOURCE1 | Selective adsorption of PVP on the surface of silver nanoparticles.pdf | 719 KB | Adobe Acrobat PDF | View Details Download |