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• W2034306162 abstract "Abstract Doping of oxide surfaces with Ag atoms could improve their catalytic properties, e.g. for solid oxide fuel cell and oxygen permeation membrane applications. We present results of the ab initio calculations of Ag adsorption on the LaMnO 3 (LMO) (001) surfaces. The energetically most favorable adsorption sites for low coverage of Ag atoms and monolayer on both MnO 2 - and LaO-terminations have been determined. The electron charge transfer between Ag and substrate and interatomic distances have been analyzed. The Ag atom migration along the MnO 2 surface is ~ 0.5 eV which could lead to a fast clustering of adsorbates at moderate temperatures whereas the adhesion energy of silver monolayer is relatively low which could indicate its mechanical instability." @default.
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• W2034306162 date "2015-05-01" @default.
• W2034306162 modified "2023-10-18" @default.
• W2034306162 title "First principles modeling of Ag adsorption on the LaMnO3 (001) surfaces" @default.
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• W2034306162 doi "https://doi.org/10.1016/j.ssi.2014.09.039" @default.
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