info:eu-repo/semantics/article
On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
Fecha
2010-07-09Registro en:
Mariscal, Marcelo; Olmos Asar, Jimena Anahí; Gutierrez Wing, C.; Mayoral, José A.; Yacamán, Miguel Jose; On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 37; 9-7-2010; 11785-11790
1463-9076
1463-9084
CONICET Digital
CONICET
Autor
Mariscal, Marcelo
Olmos Asar, Jimena Anahí
Gutierrez Wing, C.
Mayoral, José A.
Yacamán, Miguel Jose
Resumen
In the present work new findings on the structure of the S-Au interface are presented. Theoretical calculations using a new semiempirical potential, based on density functional theory and a bond-order Morse potential, are employed to simulate the adsorption process in a more realistic way. The simulation results reveal the formation of gold adatoms on the nanoparticle surface and high surface disorder due to the strong S-Au bond. Experimental data were acquired by aberration (Cs) corrected scanning transmission electron microscopy (STEM) using a high angle annular dark field detector (HAADF) that showed a great similarity with the theory predicted.