Article ID Journal Published Year Pages File Type
5354037 Applied Surface Science 2013 8 Pages PDF
Abstract
► All the possible adsorption sites of oxygen molecule were considered by First-principles. ► The information was obtained about the dissociation of oxygen molecule. ► The information was obtained about Al (1 1 1) surface reconstruction. ► We discussed the correlation of surface reconstruction, adsorption site, adsorption energy and oxygen coverage in detail.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Dissociation and reconstruction of O2 on Al (1 1 1) studied by First-principles
Authors
, , , , , ,