Matches in SemOpenAlex for { <https://semopenalex.org/work/W2093881401> ?p ?o ?g. }
- W2093881401 abstract "Hydrogen molecules adsorption and storage in Sc coated Si@Al12 cluster were investigated using density functional theory methods. Scandium atoms can bind strongly to the surfaces of Si@Al12 due to the charge transfer between Sc and Si@Al12, and do not suffer from clustering on the substrate. Si@Al12 cluster coated with three and four Sc atoms can adsorb 16 and 18 H2 molecules with a binding energy of 0.28–0.63 eV/H2, corresponding to hydrogen storage capacity of 6.0 and 6.3 wt %, respectively. The stable Si@Al12 can be applied as one of candidates for hydrogen storage materials at ambient conditions." @default.
- W2093881401 created "2016-06-24" @default.
- W2093881401 creator A5003859499 @default.
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- W2093881401 date "2010-06-11" @default.
- W2093881401 modified "2023-09-27" @default.
- W2093881401 title "Sc-coated Si@Al12 as high-capacity hydrogen storage medium" @default.
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- W2093881401 doi "https://doi.org/10.1063/1.3439689" @default.
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