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- W2010066072 abstract "A promising material for hydrogen storage at room temperature–Al doped graphene is proposed theoretically by using density functional theory calculation. Hydrogen storage capacity of 5.13 wt % is predicted at T=300 K and P=0.1 GPa with an adsorption energy Eb=−0.260 eV/H2. This is close to the target specified by U.S. Department of Energy with a storage capacity of 6 wt % and a binding energy of −0.2 to −0.4 eV/H2 at ambient temperature and modest pressure for commercial applications. It is believed that the doped Al alters the electronic structures of both C and H2. The bands of H2 overlapping with those of Al and C simultaneously are the underlying mechanism of hydrogen storage capacity enhancement." @default.
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- W2010066072 date "2009-04-01" @default.
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- W2010066072 title "Al doped graphene: A promising material for hydrogen storage at room temperature" @default.
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- W2010066072 doi "https://doi.org/10.1063/1.3103327" @default.
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