Gold nanoparticle catalyst modelling

Gold nanoparticle catalyst modelling

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Caption: Gold nanoparticle catalyst modelling. Supercomputer model of the structure of a gold nanoparticle (gold-coloured lattice) as it adsorbs carbon monoxide (CO, top). There are several hundred gold atoms in the lattice. The model shows electron density perturbation (clouds surrounding the gold and CO atoms). This perturbation causes significant quantum size effects in CO catalysis on gold particles. Nanoparticles applications being investigated include catalysis. Carbon monoxide can act to poison catalysts by adsorption on the surface of the metals used. The results from this modelling were published in 2010.

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