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    Inconsistencies in the Electronic Properties of Phosphorene Nanotubes: New Insights from Large-Scale DFT Calculations by Sarah I. Allec (2823950)

    Published 2016
    “…We find that all phosphorene nanotubes exhibit an intricate direct-to-indirect band gap transition as the nanotube diameter decreases, a unique property not identified in any prior studies (which claimed either direct or indirect band gaps only) that we uncover with large-scale DFT calculations. …”
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