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• W2036899610 startingPage "3453" @default.
• W2036899610 abstract "Abstract Similar to carbon‐based graphene, fullerenes and carbon nanotubes, boron atoms can form sheets, fullerenes, and nanotubes. Here we investigate several of these novel boron structures all based on the boron double ring within the framework of density functional theory. The boron sheet is found to be metallic and flat in its ground state. The spherical boron cage containing 180 atoms is also stable and has I symmetry. Stable nanotubes are obtained by rolling up the boron sheet, and all are metallic. The hydrogen storage capacity of boron nanostructures is also explored, and it is found that Li‐decorated boron sheets and nanotubes are potential candidates for hydrogen storage. For Li‐decorated boron sheets, each Li atom can adsorb a maximum of 4 H 2 molecules with g d =7.892 wt %. The hydrogen gravimetric density increases to g d =12.309 wt % for the Li‐decorated (0,6) boron nanotube." @default.
• W2036899610 created "2016-06-24" @default.
• W2036899610 creator A5002625566 @default.
• W2036899610 creator A5012165505 @default.
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• W2036899610 date "2014-08-19" @default.
• W2036899610 modified "2023-10-12" @default.
• W2036899610 title "Boron-Double-Ring Sheet, Fullerene, and Nanotubes: Potential Hydrogen Storage Materials" @default.
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• W2036899610 doi "https://doi.org/10.1002/cphc.201402418" @default.
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• W2036899610 hasPublicationYear "2014" @default.
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