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Engineering Gold Nanoparticle Interaction by PAMAM Dendrimer

Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K (2013) Engineering Gold Nanoparticle Interaction by PAMAM Dendrimer. In: JOURNAL OF PHYSICAL CHEMISTRY C, 117 (26). pp. 13627-13636.

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Official URL: http://dx.doi.org/ 10.1021/jp401218t


Bare faceted gold nanoparticles (AuNPs) have a tendency to aggregate through a preferred attachment of the 111] surfaces. We have used fully atomistic classical molecular dynamics simulations to obtain a quantitative estimate of this surface interaction using umbrella sampling (US) at various temperatures. To tune this surface interaction, we use polyamidoamine (PAMAM) dendrimer to coat the gold surface under various conditions. We observe a spontaneous adsorption of the protonated as well as nonprotonated PAMAM dendrimer on the AuNP surface. The adsorbed dendrimer on the nanoparticle surface strongly alters the interaction between the nanoparticles. We calculate the interaction between dendrimercoated AuNPs using US and show how the interaction between two bare faceted AuNPs can be tuned as a function of dendrimer concentration and charge (pH dependent) With appropriate choice of the dendrimer concentration and charge, two strongly interacting AuNPs can be made effectively noninteracting. Our simulation results demonstrate a strategy to tune the nanoparticle interaction, which can help in engineering self-assembly of such nanoparticles.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to AMER CHEMICAL SOC
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Depositing User: Id for Latest eprints
Date Deposited: 04 Sep 2013 06:33
Last Modified: 04 Sep 2013 06:33
URI: http://eprints.iisc.ac.in/id/eprint/47043

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