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Oxygen-Terminated (1 × 1) Reconstruction of Reduced Magnetite Fe(3)O(4)(111)

[Image: see text] The (111) facet of magnetite (Fe(3)O(4)) has been studied extensively by experimental and theoretical methods, but controversy remains regarding the structure of its low-energy surface terminations. Using density functional theory (DFT) computations, we demonstrate three reconstruc...

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Detalles Bibliográficos
Autores principales:	Kraushofer, Florian, Meier, Matthias, Jakub, Zdeněk, Hütner, Johanna, Balajka, Jan, Hulva, Jan, Schmid, Michael, Franchini, Cesare, Diebold, Ulrike, Parkinson, Gareth S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10084462/ https://www.ncbi.nlm.nih.gov/pubmed/36976170 http://dx.doi.org/10.1021/acs.jpclett.3c00281

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