A first principles study on organic molecule encapsulated boron nitride nanotubes

Wei He1, Zhenyu Li, Jinlong Yang

  • 1Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.

Summary

Doping boron nitride nanotubes (BNNTs) with organic molecules alters their electronic properties. Electrophilic molecules create p-type semiconductors, while nucleophilic molecules have minimal impact, but co-doping significantly changes properties.

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