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NRC Publications Archive Archives des publications du CNRCThis publication could be one of several versions: author's original, accepted manuscript or the publisher's version. / La version de cette publication peut être l'une des suivantes : la version prépublication de l'auteur, la version acceptée du manuscrit ou la version de l'éditeur. For the publisher's version, please access the DOI link below./ Pour consulter la version de l'éditeur, utilisez le lien DOI ci-dessous.http://doi.org/10.1021/acsnano.5b06523 ACS Nano, 9, 12, pp. 12573-12582, 2015-11-18 B oron nitride nanotubes (BNNTs) consist of seamless cylinders of alternating boron and nitrogen atoms in a hexagonal BN bonding network. 1,2 Since their first synthesis in 1995, 1 BNNTs have been considered as revolutionary materials due to their unique properties, which are as compelling as those of carbon nanotubes (CNTs). Despite their structural similarity to CNTs, BNNTs also exhibit a range of physical and chemical properties distinct from CNTs, which are mainly attributed to the partial ionic bonding character of BN. For example, the mixed ionic and covalent bonding nature of BNNTs results in their wide band gaps, around 6.0 eV independent of diameter and chirality. Figure 1 illustrates the calculated valence electron density distribution of a (6,6) CNT and BNNT. The valence charges of a CNT are equally distributed around C atoms, indicating a strong covalent CÀC bond network as well as the delocalized electrons, while the bonding electrons of BNNT are more concentrated around N atoms with an asymmetric charge distribu...