Article ID Journal Published Year Pages File Type
5356235 Applied Surface Science 2015 6 Pages PDF
Abstract

- Adsorption/substitution of Mg on CaSO4·0.5H2O was studied theoretically.
- The (2 0 0)1 plane shows significant interaction with Mg than the other planes.
- Weak adsorption of Ca on Mg-doped (2 0 0)1 plane and strong on (0 0 2) plane.
- Mg2+ is proved to be the best additive compared with other metal ions.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Adsorption and substitution effects of Mg on the growth of calcium sulfate hemihydrate: An ab initio DFT study
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