First-principles study on the co-adsorption of water and oxygen molecules on chalcopyrite (112)-M surface
Chalcopyrite is a common copper-bearing mineral with antiferromagnetic properties. However, this property has rarely been considered in previous studies for detailed adsorption behaviors of molecules on chalcopyrite. Based on density functional theory (DFT), new adsorption pathways by H2O and O2 on...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-08-01
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| Series: | International Journal of Mining Science and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2095268623000824 |