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Proceedings Paper

Interaction of size-selected gold nanoclusters with dopamine
Author(s): Georgia R. Montone; Eric Hermann; Anil K. Kandalam
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Paper Abstract

We present density functional theory based results on the interaction of size-selected gold nanoclusters, Au10 and Au20, with dopamine molecule. The gold clusters interact strongly with the nitrogen site of dopamine, thereby forming stable gold-dopamine complexes. Our calculations further show that there is no site specificity on the planar Au10 cluster with all the edge gold atoms equally preferred. On the other hand, in the pyramidal Au20 cluster, the vertex metal atom is the most active site. As the size increased from Au10 to Au20, the interaction strength has shown a declining trend. The effect of aqueous environment on the interaction strengths were also studied by solvation model. It is found that the presence of solvent water stabilizes the interaction between the metal cluster and dopamine molecule, even though for Au10 cluster the energy ordering of the isomers changed from that of the gas-phase.

Paper Details

Date Published: 21 December 2016
PDF: 14 pages
Proc. SPIE 10174, International Symposium on Clusters and Nanomaterials, 1017404 (21 December 2016); doi: 10.1117/12.2267738
Show Author Affiliations
Georgia R. Montone, West Chester Univ. of Pennsylvania (United States)
Eric Hermann, West Chester Univ. of Pennsylvania (United States)
Anil K. Kandalam, West Chester Univ. of Pennsylvania (United States)


Published in SPIE Proceedings Vol. 10174:
International Symposium on Clusters and Nanomaterials
Puru Jena; Anil K. Kandalam, Editor(s)

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