Hydrogen adsorption of novel N-doped carbon nanotubes functionalized with Scandium

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John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes

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Identification of Electron Donor States in N-Doped Carbon Nanotubes

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