Correlation Between Theoretical Data and Experimental Propierties of Selective PtAg Core-Shell Nanoparticles for Oxygen Reduction Reaction

In previous reports PtAg core-shell catalyst has showed selective properties for the oxygen reduction reaction in presence of glucose 0.1 M as interference in basic media. This characteristic has allowed the operation of microfluidic fuel cell with only one feeding stream mixing fuel and oxidant. In this work Molecular dynamics (MD) and Density functional theory (DFT) were used to explain the nanoparticle stability and conductive properties. Also is reported the analysis by XRD, XPS and STEM characterization, and electrochemical tests for oxygen reduction reaction in absence and presence of glucose, and testing in a microfluidic fuel cell. The structural simulation agrees with the experimental data showing the core-shell formation from an alloy nanoparticle by heating. Also, the electronic properties of the PtAg core-shell nanoparticles are very similar to the Pt nanoparticles.