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Theoretical Exploration of the Structural, Electronic, and Magnetic Properties of ZnO Nanotubes with Vacancies, Antisites, and Nitrogen Substitutional Defects

โœ Scribed by Fang, D. Q.; Rosa, A. L.; Zhang, R. Q.; Frauenheim, Th.


Book ID
120349134
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
624 KB
Volume
114
Category
Article
ISSN
1932-7447

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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