Structural Screening and Design of Platinum Nanosamples for Oxygen Reduction

A TYC Researcher at King's recently co-authored a paper "Structural Screening and Design of Platinum Nanosamples for Oxygen Reduction" which shows how a novel numerical strategy was developed to estimate the activity of a nanocatalyst during its lifetime.

We developed a novel numerical strategy to estimate the activity of a nanocatalyst during its lifetime, including when it undergoes to structural transformations and a phase change.
Thanks to the known relationship between a geometrical descriptor as the generalized coordination number, and the reaction free energy, our model estimates the catalytic activity for oxygen reduction during the freezing of Pt nanodroplets.  We demonstrate that structural rearrangements occuring during the solidification process significantly affect the catalytic activity of Pt nanoparticles leading to a maximum of the activity for 4-5 nm amophous shapes.
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