Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity

Bo Xiao, Xuefang Yu, Hong Hu, Yihong Ding

Research output: Journal article publicationJournal articleAcademic researchpeer-review

3 Citations (Scopus)

Abstract

In this Letter, a new kind of planar tetracoordinate nitride (ptN) structure is obtained via Be-decorated armchair boron nitride nanoribbon (aBNNR). The high stability of such a ptN system is confirmed by both global minimization and molecular dynamical simulation at 1500 K. The results suggest that this Be-decorated aBNNR will be a thermally stable material. The electronic property of aBNNR is significantly increased after the addition of Be atoms to the edges and the band gap decreases as the width of the ribbon decreases. Our Letter posits a new and potentially stable and useful BNNR and augments the literature on ptN.
Original languageEnglish
Pages (from-to)277-283
Number of pages7
JournalChemical Physics Letters
Volume608
DOIs
Publication statusPublished - 21 Jul 2014

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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