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|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 Eugene; ELLIS D.e.|
|Citation:||SURFACE SCIENCE vol. 600 p. L99-L104|
|Publisher:||ELSEVIER SCI LTD|
|Type:||Articles in periodicals and books|
|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:||Nuclear Safety and Security|
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