Gold-palladium core@shell nanoalloys: experiments and simulations

SPITALE, A.; PEREZ, M. A.; MEJIA-ROSALES, S.; YACAMAN, M. J.; MARISCAL, M. M.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ROYAL SOC CHEMISTRY

Lugar: CAMBRIDGE; Año: 2015 vol. 17 p. 28060 - 28067

1463-9076

In this work, we report a facile synthesis route, structural characterization, and full atomistic simulations of gold-palladium nanoalloys. Through aberration corrected-STEM, UV-vis and EDS chemical analysis, we were able to determine that Au(core)-Pd(shell) bimetallic nanoparticles were formed. Using different computational approaches, we were capable to establish how the size of the core and the thickness of the shell will affect the thermodynamic stability of several core- shell nanoalloys. Finally, grand canonical simulations using different sampling procedures were used to study the growth mechanism of Pd atoms on Au seeds of different shape.