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 CÉSAR AZCÁRATE; E. LARIOS-RODRÍGUEZ; MIGUEL JOSE YACAMAN; ROBERTO C SALVAREZZA; MARIANO HERNÁN FONTICELLI

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 (STEM) 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.