4.6 Article

Theoretical insights into the built-in electric field and band offsets of BN/C heterostructured zigzag nanotubes

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IOP PUBLISHING LTD
DOI: 10.1088/0022-3727/44/9/095405

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资金

  1. National Natural Science Foundation of China [10974119, 11075097]
  2. Natural Science Funds of Shandong Province for Distinguished Young Scholars [JQ201001]
  3. Natural Science Foundation of Shandong Province [Y2007A09, Y2007A02]
  4. Independent Innovation Foundation of Shandong University (IIFSDU) [2009JQ003]

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We perform first-principles calculations to investigate the band offsets of (9,0) and (10,0) BN/C heterostructured nanotubes with different interfaces. We show that the built-in electric field induced by charge redistribution modulates the band offsets of these nanotubes in different ways. Remarkably enhanced field-emission properties of the heterostructures are also predicted.

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