Articles with "clusters comparative" as a keyword



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Multiple NO adsorption on Au10- and Au9Zn- planar clusters. A comparative DFT study

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Published in 2023 at "Physical Chemistry Chemical Physics"

DOI: 10.1039/d3cp01710a

Abstract: The doping of atomic clusters with transition metal atoms modifies to a lesser or greater extent the catalytic properties of pure specimens. Here we study by means of DFT the... read more here.

Keywords: au10 au9zn; au9zn planar; adsorption au10; clusters comparative ... See more keywords