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

M. M. MARISCAL; A. MAYORAL; J. A. OLMOS ASAR; C. MAGEN; S. MEJIA-ROSALES; E. PÉREZ-TIJERINA; M. J. YACAMÁN

Nanoscale

ROYAL SOC CHEMISTRY

Año: 2011 vol. 2 p. 2647 - 2647

2040-3372

imetallic nanoparticles constitute a promising type of catalysts, mainly due to the fact that their physical and chemical properties may be tuned by varying the chemical composition and atomic ordering as well as the size of the nanoparticles. Today, the design of novel nanocatalysts is possible through a 10 combination of virtual-labs simulations using massive parallel computing and modern electron microscopy at the pico-meter resolution with the capability of chemical analysis at the atomic scale. In this work we show how the combination of theoretical calculations and characterization can resolve some of the paradox reported for the nanocatalyst: Au?Pd bimetallic nanoparticle. In particular we demonstrate the key role played by adsorbates, such as the carbon monoxide (CO), on the structure of nanoalloys. Our 15 results imply that the condition of the surface of the nanoparticles during synthesis is a parameter of paramount importance