The electronic structure of the 001 and 110 β£-alumina surfaces was Ε½ . determined by periodic HartreeαFock method in statically relaxed geometries. Both 001 Ε½ . and 110 surfaces generate specific surface states into the energy gap. Significant influence of charge-transfer effect on the surfaceαadsor
The Interdependence of Defects, Electronic Structure and Surface Chemistry
β Scribed by Philip Lindan; Elizabeth Duplock; Changjun Zhang; Michelle Thomas; Ryan Chatten; Alan Chadwick
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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