A density functional theory research on the interaction of H2X molecules with the Al2C nanosheet (X = O, S, Se, Te)
The potential application of the 2D material Al2C, as catalysts and as sensor of the hazardous molecules H2S, H2Se and H2Te, is studied using theoretical methods. Density functional theory (DFT) has been applied to study the interaction between the pristine Al2C nanosheet and small molecules, such a...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-07-01
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| Series: | Next Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S294982282400011X |