New Insights into the Adsorption of Oleate on Cassiterite: A DFT Study
A new understanding of the adsorption mechanism of oleate on cassiterite surfaces is presented by density functional theory (DFT) calculations. Various convergence tests were conducted to optimize the parameter settings for the rational simulation of cassiterite bulk unit cell and surface slabs. The...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2017-11-01
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| Series: | Minerals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-163X/7/12/236 |