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Computational investigation of the electronic and structural properties of ultra small-diameter boron nitride nanotubes

โœ Scribed by Mahmoud Mirzaei; Masoud Giahi


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
226 KB
Volume
405
Category
Article
ISSN
0921-4526

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The first-principles density-functional theoretical calculations have been performed to investigate the effects of nitrogen and boron substitutional atom on the geometrical structures and field emission properties of capped (5, 5) carbon nanotubes (CNTs). The most favorable doping position of nitrog