ChemInform Abstract: Theoretical Study on Structures and Stability of Si2P2 Isomers.
β Scribed by Xu-ri Huang; Yi-hong Ding; Ze-sheng Li; Chia-chung Sun
- Publisher
- John Wiley and Sons
- Year
- 2000
- Weight
- 25 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0931-7597
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Theoretical Study of the Intercalation of Li into TiO 2 Structures. -First principles LAPW (linearized augmented plane wawe) and semiempirical EHT methodology is used to characterize the bonding in LiTi 2 O 4 (spinel) and LiTiO 2 (trigonal) as well as the corresponding Li-extracted TiO 2 structures.