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, M. J. Yacaman

Research output: Contribution to journalArticlepeer-review

34 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)11785-11790
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume12
Issue number37
DOIs
StatePublished - 2010
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint

Dive into the research topics of 'On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study'. Together they form a unique fingerprint.

Cite this