Influence of Capping on the Atomistic Arrangement in Palladium Nanoparticles at Room Temperature

CORTHEY, G.; OLMOS-ASAR, J. A.; CASILLAS, G.; MARISCAL, M. M.; MEJIA-ROSALES, S.; AZCÁRATE, J. C.; LARIOS, E. ; JOSE-YAMACAN, M.; SALVAREZZA, R. C.; FONTICELLI, M. H.

JOURNAL OF PHYSICAL CHEMISTRY C

AMER CHEMICAL SOC

Lugar: Washington; Año: 2014 vol. 118 p. 24641 - 24647

1932-7447

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