Arsenic Adsorption onto Minerals: Connecting Experimental Observations with Density Functional Theory Calculations
A review of the literature about calculating the adsorption properties of arsenic onto mineral models using density functional theory (DFT) is presented. Furthermore, this work presents DFT results that show the effect of model charge, hydration, oxidation state, and DFT method on the structures and...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2014-03-01
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| Series: | Minerals |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2075-163X/4/2/208 |