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Adsorption Behavior of CH(4) Gas Molecule on the MoX(2)(S, Se, Te) Monolayer: The DFT Study
We predict the CH(4)-sensing performance of monolayer MoX(2)(S, Se, Te) with X-vacancy, Mo-vacancy, and divacancy by the density functional theory (DFT). The results demonstrate that the combination of different sixth main group elements with Mo atom has different adsorption behaviors for CH(4) gas...
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| Publicado no: | Nanoscale Res Lett |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer US
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6706525/ https://ncbi.nlm.nih.gov/pubmed/31440843 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s11671-019-3125-5 |
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