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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7912144/ https://www.ncbi.nlm.nih.gov/pubmed/33530482 http://dx.doi.org/10.3390/nano11020314 |