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Functionalization of α-In(2)Se(3) Monolayer via Adsorption of Small Molecule for Gas Sensing
Based on first-principles calculations, the adsorption of NO and NO(2) gas molecules on the α-In(2)Se(3) monolayer have been studied. The adsorption configuration, adsorption energy, electronic structure and charge transfer properties are investigated. It is found that the charge transfer processes...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6169259/ https://www.ncbi.nlm.nih.gov/pubmed/30320063 http://dx.doi.org/10.3389/fchem.2018.00430 |