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Density functional study of the cysteine adsorption on Au nanoclusters

  • Cluster Reactivity and Nano-catalysis
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Abstract

The adsorption of the cysteine amino acid (H–SCβH2–CαH–NH2–COOH) on the Au55 cluster is investigated through density functional theory calculations. Two isomers, with icosahedral (Ih) and chiral (C1) geometries, of the Au55 cluster are used to calculate the adsorption energy of the cysteine on different facets of these isomers. Results, only involving the S(thiolate)-Au bonding show that the higher adsorption energies are obtained when the sulfur atom is bonded to an asymmetrical bridge site at the facet containing Au atoms with the lowest coordination of the C1 cluster isomer.

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Authors and Affiliations

  1. Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 20-364, 01000 México, DF, México

    L. A. Pérez, X. López-Lozano & I. L. Garzón

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  1. L. A. Pérez
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  2. X. López-Lozano
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  3. I. L. Garzón
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Correspondence to I. L. Garzón.

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Pérez, L., López-Lozano, X. & Garzón, I. Density functional study of the cysteine adsorption on Au nanoclusters. Eur. Phys. J. D 52, 123–126 (2009). https://doi.org/10.1140/epjd/e2008-00289-5

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