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Oxygen adsorption on Au clusters and a rough Au(111) surface: The role of surface flatness, electron confinement, excess electrons, and band gap

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https://lib.dr.iastate.edu/chem_pubs/420
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Creative Commons 'BY-NC-ND' version 4.0 license
Abstract

Functional theory was used to show that the flatness of the surface affects very strongly oxygen adsorption on both bulk Au and Au clusters. It was found that O2 does not bind to the flat side of small Au clusters. Evidence was obtained that the existence of a band gap is not essential to the binding of O2 to gold, and that having a rough surface is.

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