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The Effect of Carbon Monoxide Co-Adsorption on Ni-Catalysed Water Dissociation

The effect of carbon monoxide (CO) co-adsorption on the dissociation of water on the Ni(111) surface has been studied using density functional theory. The structures of the adsorbed water molecule and of the transition state are changed by the presence of the CO molecule. The water O–H bond that is...

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Detalhes bibliográficos
Main Authors: Mohsenzadeh, Abas, Borjesson, Anders, Wang, Jeng-Han, Richards, Tobias, Bolton, Kim
Formato: Artigo
Idioma:Inglês
Publicado em: Molecular Diversity Preservation International (MDPI) 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3876046/
https://ncbi.nlm.nih.gov/pubmed/24287907
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms141223301
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