Predicting nanoparticle shapes

There is so much research currently being dedicated to nanoparticle catalysts but how can we plan for how they will behave under different temperature conditions?

Amanda Barnard at CSIRO, Australia, has performed theoretical modelling, producing a nanoscale phase diagram that predicts the morphologies of a range of palladium nanocatalysts as a function of the number of atoms or diameter, and temperature.

 First nanoscale phase diagram of Pd

It seems that under almost all conditions, monocrystalline shapes are thermodynamically preferred with the exception of particularly small nanoparticles at low temperatures, where multiply-twinned decahedra are stable.

To read more about Barnard’s findings, download the Catalysis Science & Technology article today – it’s free…

Mapping the shape and phase of palladium nanocatalysts
Amanda S. Barnard

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