Issue 37, 2010

On the atomic structure of thiol-protected gold nanoparticles: a combined experimental and theoretical study

Abstract

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.

Graphical abstract: On the atomic structure of thiol-protected gold nanoparticles: a combined experimental and theoretical study

Supplementary files

Article information

Article type
Paper
Submitted
12 Mar 2010
Accepted
06 Jul 2010
First published
09 Aug 2010

Phys. Chem. Chem. Phys., 2010,12, 11785-11790

On the atomic structure of thiol-protected gold nanoparticles: a combined experimental and theoretical study

M. M. Mariscal, J. A. Olmos-Asar, C. Gutierrez-Wing, A. Mayoral and M. J. Yacaman, Phys. Chem. Chem. Phys., 2010, 12, 11785 DOI: 10.1039/C004229C

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