Title: Surface Science Letters-Metal Film Growth on Regular and Defective MgO(001) Surface: A Comparative Ab Initio Simulation and Thermodynamic Study
Authors: FUKS D.ZHUKOVSKII Y.KOTOMIN EugeneELLIS D.e.
Citation: SURFACE SCIENCE vol. 600 p. L99-L104
Publisher: ELSEVIER SCI LTD
Publication Year: 2006
JRC N°: JRC33562
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC33562
Type: Articles in Journals
Abstract: In order to understand the difference in metallic film growth modes on perfect and defective oxide substrates, we have combined ab initio B3LYP periodic calculations on the slab models of the corresponding Me/MgO(001) interfaces (Me = Ag,Cu) with thermodynamic theory of solid solutions. For a defectless magnesia surface, we confirm the experimentally observed submonolayer growth of 3D metallic islands (Ag possesses a higher trend than Cu).
JRC Institute:Institute for Transuranium Elements

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