NO gas adsorption properties of MoS2 from monolayer to trilayer: a first-principles study
The NO gas adsorption properties of the monolayer, bilayer and trilayer MoS _2 has been studied based on the first-principles calculation. The interaction between NO and MoS _2 layers is weak physical adsorption, which is evidenced by the large distance (>3 Å), small adsorption energies (<0.9...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2021-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/abdb50 |