Article ID Journal Published Year Pages File Type
5354915 Applied Surface Science 2016 33 Pages PDF
Abstract

- Bulk-surface relationship was predicted by the ligand field nature of metal oxides.
- Antibonding and bonding d-bands occupancy clarified the bulk-surface relationship.
- Different surface relaxations were explained by the bulk electronic structures.
- Transition from the bulk to the surface state was simulated by oxygen adsorption.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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