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Título del libro: 2007 Nsti Nanotechnology Conference And Trade Show - Nsti Nanotech 2007, Technical Proceedings
Título del capítulo: Density functional study of the cysteine adsorption on Au nanoparticles

Autores UNAM:
LUIS ANTONIO PEREZ LOPEZ; IGNACIO LUIS GARZON SOSA;
Autores externos:

Idioma:

Año de publicación:
2007
Palabras clave:

Chiral clusters; Cysteine adsorption; Enantioselectivity; Enantiospecific adsorption; Gold nanoparticles


Resumen:

The adsorption of the cysteine amino acid (H-SC?H 2-C?H-NH2-COOH) on the Au55 nanocluster is investigated through density functional theory calculations. Two isomers, with icosahedral and chiral geometries, of the Au55 nanocluster are used to calculate the adsorption energy of the cysteine on different facets of these isomers. Results involving the S(thiolate)-Au bonding show that the higher adsorption energies are obtained when the cysteine adsorbs on bridge sites of the facets containing Au atoms with the lowest coordination of the chiral Au55 cluster. These results are relevant to show the existence of enantiospecific adsorption on chiral gold clusters.


Entidades citadas de la UNAM: