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

Corthey, Gastón y Olmos Asar, Jimena A. y Casillas, Gilberto y Mariscal, Marcelo M. y Mejía Rosales, Sergio y Azcárate, Julio César y Larios, Eduardo y Yacamán, Miguel José y Salvarezza, Roberto y Fonticelli, Mariano H. (2014) Influence of capping on the atomistic arrangement in palladium nanoparticles at room temperature. Journal of physical chemistry C, 118. pp. 24641-24648. ISSN 1256-1260

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Resumen

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.

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