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Structural and electronic properties of zigzag and armchair WSe2 nanotubes
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文摘
The armchair nanotubes experience an indirect-direct gap change with n increasing. The zigzag nanotubes always possess a direct band gap regardless of n. The band gaps increase with diameter increasing. The varying range of the band gap can be from 0.44 to 1.98 eV. The strong modulation is due to large wall thickness and charge redistribution.

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