Tailored surface composition of Au/Pt nanocatalysts synthesized in microemulsions: a simulation study.

Au/Pt nanoparticles show an optimized catalytic activity when compared with Pt nanoparticles because Pt activity is improved by the presence of Au on the surface. It was checked whether a controllable surface composition can be achieved by the simple strategy of varying the Au : Pt ratio. We present an in-depth kinetic simulation study on the influence of Au : Pt ratio on the formation of Au/Pt nanoparticles synthesized in microemulsions.

Bimetallic nanoparticles synthesized in microemulsions: A computer simulation study on relationship between kinetics and metal segregation.

Computer simulations were carried out to study the origin of the different metal segregation showed by bimetallic nanoparticles synthesized in microemulsions. Our hypothesis is that the kinetics of nanoparticle formation in microemulsions has to be considered on terms of two potentially limiting factors, chemical reaction itself and the rate of reactants exchange between micelles. From the kinetic study it is deduced that chemical reduction in microemulsions is a pseudo first-order process, but not from the beginning.

Understanding the Metal Distribution in Core-Shell Nanoparticles Prepared in Micellar Media.

The factors that govern the reaction rate of Au/Pt bimetallic nanoparticles prepared in microemulsions by a one-pot method are examined in the light of a simulation model. Kinetic analysis proves that the intermicellar exchange has a strong effect on the reaction rates of the metal precursors. Relating to Au, reaction rate is controlled by the intermicellar exchange rate whenever concentration is high enough.

Controlling Bimetallic Nanostructures by the Microemulsion Method with Subnanometer Resolution Using a Prediction Model.

We present a theoretical model to predict the atomic structure of Au/Pt nanoparticles synthesized in microemulsions. Excellent concordance with the experimental results shows that the structure of the nanoparticles can be controlled at subnanometer resolution simply by changing the reactant concentration. The results of this study not only offer a better understanding of the complex mechanisms governing reactions in microemulsions, but open up a simple new way to synthesize bimetallic nanoparticles with ad hoc controlled nanostructures.

Kinetic Study on the Formation of Bimetallic Core-Shell Nanoparticles via Microemulsions.

Computer calculations were carried out to determine the reaction rates and the mean structure of bimetallic nanoparticles prepared via a microemulsion route. The rates of reaction of each metal were calculated for a particular microemulsion composition (fixed intermicellar exchange rate) and varying reduction rate ratios between both metal and metal salt concentration inside the micelles. Model predictions show that, even in the case of a very small difference in reduction potential of both metals, the formation of an external shell in a bimetallic nanoparticle is possible if a large reactant concentration is used.

The impact of the confinement of reactants on the metal distribution in bimetallic nanoparticles synthesized in reverse micelles.

A kinetic study on the formation of bimetallic nanoparticles in microemulsions was carried out by computer simulation. A comprehensive analysis of the resulting nanostructures was performed regarding the influence of intermicellar exchange on reactivity. The objects of this study were metals having a difference in standard reduction potential of about 0.

Surfactant Effects on Microemulsion-Based Nanoparticle Synthesis.

The effect of the surfactant on the size, polydispersity, type of size distribution and structure of nanoparticles synthesized in microemulsions has been studied by computer simulation. The model simulates the surfactant by means of two parameters: the intermicellar exchange parameter, k, related to dimer life time, and film flexibility parameter, f, related to interdroplet channel size. One can conclude that an increase in surfactant flexibility leads to bigger and polydisperse nanoparticle sizes.