Artículo
A novel model for the (R3xR3)-R30 alkanethiolate-Au(111) phase based on alkanethiolate-Au adatom complexes
Fecha de publicación:
12/2014
Editorial:
Royal Society Of Chemistry
Revista:
Physical Chemistry Chemical Physics
ISSN:
1463-9076
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Self-assembled monolayers of thiols on Au(111) have attracted considerable interest from the theoretical and experimental points of view as model systems for understanding the organization of molecules on metallic surfaces, and also as key elements in nanoscience and nanotechnology. Today, there is strong theoretical and experimental evidence indicating that the surface chemistry of these monolayers at high coverage involves dithiolate–adatom (RS–Auad–SR) species, showing the existence of the (3 × 4) and c(4 × 2) lattices usually observed by scanning tunneling microscopy. However, concealing the existence of dithiolate–Au adatom species with the presence of the paradigmatic (√3 × √3)R30° lattice, which dominates the structure of long alkanethiols, still remains a challenge. Here, we propose a novel (3√3 × 3√3)R30° structural model containing RS–Auad–SR moieties based on DFT calculations which reconciles most of the experimental data observed for the (√3 × √3)R30° lattice. Our results provide a unified picture of the surface chemistry of the thiol–Au(111) system.
Palabras clave:
Alkanethiols
,
Au(111)
,
Lattice Models
,
Dft
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Articulos(INIFTA)
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Articulos de SEDE CENTRAL
Citación
Carro, P.; Torrelles, X.; Salvarezza, Roberto Carlos; A novel model for the (R3xR3)-R30 alkanethiolate-Au(111) phase based on alkanethiolate-Au adatom complexes; Royal Society Of Chemistry; Physical Chemistry Chemical Physics; 16; 35; 12-2014; 19017-19023
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