Performance of Intrinsic and Modified Graphene for the Adsorption of H<sub>2</sub>S and CH<sub>4</sub>: A DFT Study
In this study, the adsorption performances of graphene before and after modification to H<sub>2</sub>S and CH<sub>4</sub> molecules were studied using first principles with the density functional theory (DFT) method. The most stable adsorption configuration, the adsorption en...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-02-01
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| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/10/2/299 |