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Catalytic water dissociation by greigite Fe(3)S(4) surfaces: density functional theory study

The iron sulfide mineral greigite, Fe(3)S(4), has shown promising capability as a hydrogenating catalyst, in particular in the reduction of carbon dioxide to produce small organic molecules under mild conditions. We employed density functional theory calculations to investigate the {001},{011} and {...

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Detalhes bibliográficos
Publicado no:Proc Math Phys Eng Sci
Main Authors: Roldan, A., de Leeuw, N. H.
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society Publishing 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4892285/
https://ncbi.nlm.nih.gov/pubmed/27274698
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rspa.2016.0080
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