The nature of nanostructured Cu-Fe-O alloys produced by copper-steel sliding part II: Theoretical analysis

Autor:	A.V. Vereshchak, V.V. Nemoshkalenko, V.V. Gorsky, O.N. Razumov, A.N. Gripachevsky, A.N. Timoshevsky
Rok vydání:	1995
Předmět:	Materials science Field (physics) Metallurgy chemistry.chemical_element Ionic bonding Electronic structure Condensed Matter Physics Copper Metal chemistry Covalent bond visual_art Phase (matter) visual_art.visual_art_medium Cluster (physics) Physical chemistry General Materials Science
Zdroj:	Nanostructured Materials. 5:709-715
ISSN:	0965-9773
DOI:	10.1016/0965-9773(95)00272-g
Popis:	The self-consistent field Xα-SW cluster method was used for theoretical interpretation of the electronic structure of the intercrystalline phase in nanostructured Cu-Fe-O alloys produced by copper-steel sliding. The calculations of electronic structure were based on the model of the intercrystalline Cu-Fe-O phase as an aggregate of nFe2nO clusters arranged in a Cu host. The final calculations explain the absence of charge transfer between metal and oxygen atoms in the alloys studied as a consequence of covalent FeO bond formation in small nFe2nO clusters, and not an ionic one, as in bulk oxides.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ffa8c92598794fdb4f8c8994a56d8db8 https://doi.org/10.1016/0965-9773(95)00272-g Zobrazit plný text záznamu Full Text from ScienceDirect