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First-Principle Insight into Ga-Doped MoS(2) for Sensing SO(2), SOF(2) and SO(2)F(2)
First-principle calculations were carried out to simulate the three decomposition gases (SO(2), SOF(2), and SO(2)F(2)) of sulfur hexafluoride (SF(6)) on Ga-doped MoS(2) (Ga-MoS(2)) monolayer. Based on density functional theory (DFT), pure MoS(2) and multiple gas molecules (SF(6), SO(2), SOF(2), and...
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| Publicado no: | Nanomaterials (Basel) |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7912144/ https://ncbi.nlm.nih.gov/pubmed/33530482 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/nano11020314 |
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