Intimate relationship between structural deformation and properties of single-walled carbon nanotubes
Author
Yıldırım, Taner
Gülseren, Oğuz
Çıracı, Salim
Date
2002Source Title
Proceedings of the International Conference on Computational Nanoscience and Nanotechnology, ICCN 2002
Publisher
Cambridge
Pages
267 - 270
Language
English
Type
Conference PaperItem Usage Stats
104
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Abstract
Carbon nanotubes continue to surprise scientists with their novel properties. Recently we have discovered many intimate relationships between structural deformation and the properties of single-walled nanotubes (SWNT), that could be important in technological applications. From first-principles we show that by using pressure, carbon nanotubes can be covalently joined to form one and two-dimensional networks of interlinked nanotubes. We also find that the band gap of an insulating nanotube can be engineered by elliptical distortion, which is found to be in the elastic range. This could allow the fine-tuning of the properties of SWNTs via reversible deformation and ultimately lead to variable quantum devices. Finally, we have very recently shown that the chemical reactivity of nanotubes can be tuned by elliptical deformation, which may provide a way to attach various atoms such as H and metals to a specific location on a nanotube.
Keywords
AbsorptionCarbon nanotubes
First-principles calculations
Nanodevices
SWNT
Binding energy
Chemical reactions
Crystal lattices
Deformation
Electronic properties
Graphite
Mechanical properties
Pressure effects
Quantum interference devices