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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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| Pubblicato in: | Molecules |
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| Autori principali: | , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI
2019
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6651430/ https://ncbi.nlm.nih.gov/pubmed/31252605 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24132382 |
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