Article ID Journal Published Year Pages File Type
5422670 Surface Science 2012 7 Pages PDF
Abstract
► Ab-initio study of the adsorption of the NO molecule on the (La,Sr)O (001) surface of (La,Sr)FeO3. ► Calculated adsorption energy is around − 1 eV on the (La,Sr)FeO3 surfaces. ► Calculated adsorption energy is around − 3.5 eV on the (La,Sr)FeO2.75 surfaces. ► Oxygen vacancy is created more easily on the surface of (La,Sr)FeO3 than LaFeO3. ► Enhancement of NO adsorption energy on the (La,Sr)FeO2.75 surface.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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