Influence of capping on the atomistic arrangement in palladium nanoparticles at room temperature

Gastón Corthey, Jimena A. Olmos-Asar, Gilberto Casillas, Marcelo M. Mariscal, Sergio Mejía-Rosales, Julio C. Azcárate, Eduardo Larios, Miguel José-Yacamán, Roberto C. Salvarezza, Mariano H. Fonticelli

Research output: Contribution to journalArticlepeer-review

21 Scopus citations


The role that protecting molecules have on the way that palladium atoms arrange themselves in nanoparticles prepared at room temperature was studied by the analysis of aberration-corrected scanning transmission electron microscopy images and atomistic Langevin dynamics simulations. It was found that the arrangement of Pd atoms is less ordered in thiolate-protected nanoparticles than in amine-protected ones. The experimental and theoretical data showed that the disorder in ∼3 nm thiolate-protected particles is promoted by the strong S-Pd bond in the sulfide layer that surrounds the nanoparticles.

Original languageEnglish (US)
Pages (from-to)24641-24647
Number of pages7
JournalJournal of Physical Chemistry C
Issue number42
StatePublished - Oct 23 2014
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • General Energy
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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