Electronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO3
The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO3 have been studied on the basis of density-functional theory using the VASP simulation package and molecular-orbital theory utilizing the CLUSTERD computer code. Two calcium carbonate structures which occ...
Saved in:
| Hovedforfatter: | |
|---|---|
| Andre forfattere: | , |
| Format: | article |
| Udgivet: |
2007
|
| Fag: | |
| Online adgang: | http://dspace.utpl.edu.ec/handle/123456789/19298 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|
Tilføj Tag