Article ID Journal Published Year Pages File Type
1561327 Computational Materials Science 2013 5 Pages PDF
Abstract
► The surface O ions dominate the ethanol molecular adsorption process. ► The direct dissociation adsorption of ethanol happened on the LaFeO3 (0 1 0) surface. ► The Fe-O bond of the LaFeO3 (0 1 0) surface was cleaved. ► The bonding mechanism is the strong interaction between O p, O s and H s orbitals.
Keywords
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Preview
Theoretical calculation of ethanol molecule adsorption on LaFeO3 (0 1 0) surface
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