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• W2306797788 abstract "The binding ability and hydrogen storage capacity of nitrogen doped carbon nanotube with divacancy (4NDCN_xNT) that is decorated with transition metals was investigated based on density functional theory calculations. Results indicate that scandium shows an ideal reversible hydrogen binding capability with promising system-weight efficiency compared with other transition metals when functionalized with 4ND-CN_xNT. The (Sc/4ND)₁₀-CN_xNT can store up to 50H₂ molecules, corresponding to a maximum gravimetric density of 5.8 wt%. Detailed structural stability and electronic properties were reported as hydrogen molecules were absorbed. It takes about 0.16 eV/H₂ to add one H₂ molecule, which assures reversible storage of H₂ molecules under ambient conditions." @default.
• W2306797788 created "2016-06-24" @default.
• W2306797788 creator A5006739550 @default.
• W2306797788 date "2015-10-20" @default.
• W2306797788 modified "2023-09-25" @default.
• W2306797788 title "Stability and Electronic Properties of the Adsorption of Molecular Hydrogen on Metal-containing Single-walled Carbon Nanotubes" @default.
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• W2306797788 doi "https://doi.org/10.5012/jkcs.2015.59.5.429" @default.
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