Publication Details

Corthey, G., Olmos-Asar, J. A., Casillas, G., Mariscal, M. M., Mejia-Rosales, S., Azcarate, J. C., Larios, E., Jose-Yacaman, M., Salvarezza, R. C. & Fonticelli, M. H. (2014). Influence of capping on the atomistic arrangement in palladium nanoparticles at room temperature. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, 118 (42), 24641-24647.


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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