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Nitrogen-based gas molecule adsorption of monolayer phosphorene under metal functionalization
Using the first-principles calculation based on density functional theory (DFT), the adsorption properties of nitrogen-based gases molecules (NH(3), NO, NO(2)) on various metal (Li, Na, K, Rb, Cs, Ca, Sr, Ba, Ni, La, Tl) decorated phosphorene systems have been studied systematically. The results sho...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6715726/ https://www.ncbi.nlm.nih.gov/pubmed/31467398 http://dx.doi.org/10.1038/s41598-019-48953-0 |