A theoretical study of protonation of triatomic silicon–carbon compounds
✍ Scribed by A. Largo-Cabrerizo; J. R. Flores
- Publisher
- John Wiley and Sons
- Year
- 1989
- Tongue
- English
- Weight
- 560 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
The Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of mixed triatomic clusters of carbon and silicon. The G2 energies are used to derive accurate binding energies which are compared with experimental values.
## Abstract Under external transverse electronic fields, the electronic and magnetic properties of silicon carbon nanoribbons with zigzag edge (ZSiCNRs) and armchair edge (ASiCNRs) are studied by using the first‐principles projector augmented wave (PAW) potential within the density‐function theory