Gold-palladium core@shell nanoalloys: experiments and simulations.
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 spectroscopy 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 of establishing 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 shapes.
INFIQC, CONICET. Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Córdoba, X5000HUA, Argentina. marcelo.mariscal@conicet.gov.ar.
A
A
Spitale
INFIQC, CONICET. Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Córdoba, X5000HUA, Argentina.
M A
MA
Perez
Center for Innovation and Research in Engineering and Technology, and CICFIM-Facultad de Ciencias Físico-Matemáticas, Universidad Autónoma de Nuevo León, San Nicolás de los Garza, NL 66450, Mexico.
S
S
Mejía-Rosales
Department of Physics and Astronomy, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249, USA.
M J
MJ
Yacamán
INFIQC, CONICET. Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Córdoba, X5000HUA, Argentina. marcelo.mariscal@conicet.gov.ar.
M M
MM
Mariscal
D000497:Alloys / Q000737:chemistry*; D006046:Gold / Q000737:chemistry*; D046529:Microscopy, Electron, Transmission; D053758:Nanoparticles / Q000737:chemistry*; D010165:Palladium / Q000737:chemistry*
D000497:Alloys; D010165:Palladium; D006046:Gold