Coalescence of BnNn fullerenes: A new pathway to produce boron nitride nanotubes with small diameter |
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Authors: | Yongliang Yong Kai LiuBin Song Pimo HePeng Wang Hongnian Li |
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Affiliation: | State Key Laboratory of Silicon Materials and Department of Physics, Zhejiang University, Hangzhou 310027, People?s Republic of China |
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Abstract: | Using density functional theory calculations, we predict that single-walled hemispherical-caped boron nitride (BN) nanotubes with small diameters can be produced via the coalescence of stable nanoclusters. Specifically, the assembly of BnNn (n=12,24) clusters exhibiting particularly high stability and leading to armchair (3,3) and (4,4) BN nanotubes, respectively, are considered. The formed finite-length BN nanotubes have semiconducting properties with wide band gaps attractive to nano-device applications. |
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Keywords: | BnNn fullerenes Coalescence BN nanotubes Density functional theory calculations |
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