Core‐Shell Nanocatalysts Obtained in Reverse Micelles: Structural and Kinetic Aspects

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Ability to control the metal arrangement in bimetallic nanocatalysts is the key to improving their catalytic activity. To investigate how metal distribution in nanostructures can be modified, we developed a computer simulation model on the synthesis of bimetallic nanoparticles obtained in microemulsions by a one‐pot method. The calculations allow predicting the metal arrangement in nanoparticle under different experimental conditions. We present results for two couples of metals, Au/Pt (Δε = 0.26 V) and Au/Ag (Δε = 0.19 V), but conclusions can be generalized to other bimetallic pairs with similar difference in standard reduction potentials. It was proved that both surface and interior compositions can be controlled at nanometer resolution easily by changing the initial reactant concentration inside micelles. Kinetic analysis demonstrates that the confinement of reactants inside micelles has a strong effect on the reaction rates of the metal precursors. As a result, the final nanocatalyst shows a more mixed core and a better defined shell as concentration is higher.