Coalescence of B_nN_n fullerenes: A new pathway to produce boron nitride nanotubes with small diameter

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• 作者：Yongliang Yong ; Kai Liu ; Bin Song ; ^{bzsong@css.zju.edu.cn} ; Pimo He ; Peng Wang ; Hongnian Li
• 关键词：BnNn fullerenes ; Coalescence ; BN nanotubes ; Density functional theory calculations
• 刊名：Physics Letters A
• 出版年：2012
• 期刊代码：57_03759601
• 类别：ph
• 出版时间：26 March, 2012
• 卷：376
• 期：17
• 页码：1465-1467
• 文件大小：490 K

摘要

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 B_nN_n () clusters exhibiting particularly high stability and leading to armchair and BN nanotubes, respectively, are considered. The formed finite-length BN nanotubes have semiconducting properties with wide band gaps attractive to nano-device applications.