First-principles investigation of adsorption behaviors of small molecules on penta-graphene
Abstract The gas-adsorption behaviors of small molecules CO, H2O, H2S, NH3, SO2, and NO on pristine penta-graphene (PG) were investigated using first-principles calculations to explore their potential for use as advanced gas-sensing materials. Results show that, except for CO, H2O, H2S, NH3, and SO2...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
SpringerOpen
2018-09-01
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| Col·lecció: | Nanoscale Research Letters |
| Matèries: | |
| Accés en línia: | http://link.springer.com/article/10.1186/s11671-018-2687-y |
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