Nanoalloying in real time. A high resolution STEM and computer simulation study

Bimetallic nanoparticles constitute a promising type of catalysts, mainly because their physical and chemical properties may be tuned by varying their chemical composition, atomic ordering, and size. Today, the design of novel nanocatalysts is possible through a combination of virtual lab simulation...

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Bibliographic Details
Published in:Nanoscale 2011-01, Vol.3 (12), p.5013-5019
Main Authors: Mariscal, M M, Mayoral, A, Olmos-Asar, JA, Magen, C, Mejia-Rosales, S, Perez-Tijerina, E, Jose-Yacaman, M
Format: Article
Language:English
Subjects:
Bimetals
Carbon monoxide
Computer simulation
Nanocomposites
Nanomaterials
Nanoparticles
Nanostructure
Order disorder
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Summary:Bimetallic nanoparticles constitute a promising type of catalysts, mainly because their physical and chemical properties may be tuned by varying their chemical composition, atomic ordering, and size. Today, the design of novel nanocatalysts is possible through a combination of virtual lab simulations on massive parallel computing and modern electron microscopy with picometre resolution on one hand, and the capability of chemical analysis at the atomic scale on the other. In this work we show how the combination of theoretical calculations and characterization can solve some of the paradoxes reported about nanocatalysts: Au-Pd bimetallic nanoparticles. In particular, we demonstrate the key role played by adsorbates, such as carbon monoxide (CO), on the structure of nanoalloys. Our results imply that surface condition of nanoparticles during synthesis is a parameter of paramount importance.
ISSN:2040-3364
2040-3372
DOI:10.1039/C1NR11052G