An ab initio study of the structure and properties of aluminum hydroxide: Gibbsite and bayerite
The two most important polymorphs of aluminum hydroxide, namely gibbsite and bayerite, have been studied for the first time using solid state ab initio quantum mechanical methods, both using plane wave and localized basis set methodologies, within the framework of nonlocal density functional theory....
| Auteurs principaux: | , , , |
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| Format: | Journal article |
| Langue: | English |
| Publié: |
2001
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