The electronic structure of the 001 and 110 ␣-alumina surfaces was Ž . determined by periodic Hartree᎐Fock method in statically relaxed geometries. Both 001 Ž . and 110 surfaces generate specific surface states into the energy gap. Significant influence of charge-transfer effect on the surface᎐adsor
✦ LIBER ✦
Electronic structure of palladium deposits on alumina
✍ Scribed by P. Légaré; B.R. Bilwes
- Publisher
- Elsevier Science
- Year
- 1992
- Weight
- 61 KB
- Volume
- 279
- Category
- Article
- ISSN
- 0167-2584
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Electronic structures of Pd4 and P t4 clusters are studied using a model potential method in the Hartree-Fock-Xootha scheme. The lowest bound state of Pd4 is 'Bz ruising from (d'0)3d9s, while the ground state of A4 is 7B2, which comes from (ds#. Band structures of the clusters are compared with tllo