Abstract
It is well-documented that the (111) surfaces of Mo and W are unstable upon the adsorption of ultra-thin overlayers of some fcc metals and transform to {112} type facets. Using first principles total energy calculations, we found that it is also thermodynamically allowed,for Mo(111) to facet to the {110} orientations upon the adsorption of a coating layer of Pd and Pt. An overlayer coverage of about one physical monolayer would be needed to drive the transformation.
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