An ab initio LCGO MO SCF calculation using the Roothaan open-shell procedure was carried out on C202. The electronic structure and stability of the molecule is discussed.
Location of an O atom in the Pd(110)c(2×4)-O structure. An EELS study
✍ Scribed by N. Takagi; Y. Yasui; M. Sawada; A. Atli; T. Aruga; M. Nishijima
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 441 KB
- Volume
- 232
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
The Pd ( 110 ) c ( 2 X 4 )-O surface has been investigated mainly by high-resolution electron energy loss spectroscopy. Two losses have been observed at 62 and 68 meV for the c (2 X 4) surface, which is consistent with the structure model involving substrate reconstruction into the ( 1 X 2) missing-row structure where the O atoms are located in the three-coordinated sites of the ( 111 ) microfacets to form zig-zag chains along the [ 110] Pd rows. The losses are attributed to the hindered motions of an O atom perpendicular and parallel to the ( 111 ) m icrofacet, respectively. A calculation of the vibrational energies of a Pd30 cluster based on Wilson's GF matrix technique suggests that the first interlayer spacing is expanded compared to that of the bulk.
📜 SIMILAR VOLUMES