Adsorption of H₂, O₂, H₂O, OH and H on monolayer MoS₂
Hydrogen and hydrogen-containing gases are commonly used as reductants in chemical vapor deposition (CVD) growth of MoS<sub>2</sub>. Here, we consider the defects resulting from the presence of hydrogen during growth and the resulting electronically active defects. In particular, we find...
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| Other Authors: | , , , |
| Format: | article |
| Language: | eng |
| Published: |
2018
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| Subjects: | |
| Online Access: | http://hdl.handle.net/1822/48427 |
| Country: | Portugal |
| Oai: | oai:repositorium.sdum.uminho.pt:1822/48427 |
| Summary: | Hydrogen and hydrogen-containing gases are commonly used as reductants in chemical vapor deposition (CVD) growth of MoS<sub>2</sub>. Here, we consider the defects resulting from the presence of hydrogen during growth and the resulting electronically active defects. In particular, we find that the interstitial hydrogen defect is a negative-$U$ center with amphoteric donor and acceptor properties. Additionally, we consider the effects of the interaction with water and oxygen. The defects are analysed using density functional theory calculations. |
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