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How Adsorbed Oxygen Atoms Inhibit Hydrogen Dissociation on Tungsten Surfaces

[Image: see text] Hydrogen molecules dissociate on clean W(110) surfaces. This reaction is progressively inhibited as the tungsten surface is precovered with oxygen. We use density functional theory and ab initio molecular dynamics to rationalize, at the atomic scale, the influence of the adsorbed O...

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Detalles Bibliográficos
Autores principales:	Rodríguez-Fernández, A., Bonnet, L., Larrégaray, P., Díez Muiño, R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9923735/ https://www.ncbi.nlm.nih.gov/pubmed/36718641 http://dx.doi.org/10.1021/acs.jpclett.2c03684

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