Artículo

Thermal properties of Co/Au nanoalloys and comparison of different computer simulation techniques

Rapallo, A.; Olmos Asar, Jimena AnahíIcon ; Oviedo, Oscar AlejandroIcon ; Ludueña, MartinIcon ; Ferrando, R.; Mariscal, MarceloIcon
Fecha de publicación: 08/2012
Editorial: American Chemical Society
Revista: Journal of Physical Chemistry C
ISSN: 1932-7447
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

In this work we investigate the performance of several simulation techniques, i.e., Canonical Molecular Dynamics, Canonical Monte Carlo, and the Optimized Multicanonical Monte Carlo, to study melting-like transitions of Co/Au nanoalloys that are compared to those of pure Co and Au clusters of the same size. A surprising enhancement in the thermal stability of core/shell Co 13Au 42 is observed compared to both pure clusters of the same size and shape. The novel property is analyzed using energetic and vibrational contributions throughout a detailed microscopic dynamic analysis. © 2012 American Chemical Society.
Palabras clave: Nnanoalloys , Core-Shell , Nanoparticulas , Simulaciones
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/61962
DOI: https://dx.doi.org/10.1021/jp302001c
URL: https://pubs.acs.org/doi/abs/10.1021/jp302001c
Colecciones
Articulos(INFIQC)
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Citación
Rapallo, A.; Olmos Asar, Jimena Anahí; Oviedo, Oscar Alejandro; Ludueña, Martin; Ferrando, R.; et al.; Thermal properties of Co/Au nanoalloys and comparison of different computer simulation techniques; American Chemical Society; Journal of Physical Chemistry C; 116; 32; 8-2012; 17210-17218
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