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Scandium Decoration of Boron Doped Porous Graphene for High-Capacity Hydrogen Storage
The hydrogen storage properties of the Scandium (Sc) atom modified Boron (B) doped porous graphene (PG) system were studied based on the density functional theory (DFT). For a single Sc atom, the most stable adsorption position on B-PG is the boron-carbon hexagon center after doping with the B atom....
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| Autors principals: | , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2019-06-01
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| Col·lecció: | Molecules |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1420-3049/24/13/2382 |
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