Open Access Research Article

Ethanol Oxidation on Gold Nanowire Containing Oxygen Impurities: A Study by Ab Initio Molecular Dynamics Simulations

Received: 10 October 2022;  Published: 14 December 2022;  doi: 10.21926/cr.2204043


Linear atomic chain (LAC) gold nanowires (Au-NWs) containing oxygen impurities are materials that could be used as supports to stimulate chemical reactions. Its peculiar structural characteristics, such as abnormal Au-Au bonds, make it interesting to explore the chemical reactions of this material at a theoretical level. This work investigated [...]