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      Intimate relationship between structural deformation and properties of single-walled carbon nanotubes

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      Author
      Yıldırım, Taner
      Gülseren, Oğuz
      Çıracı, Salim
      Date
      2002
      Source Title
      Proceedings of the International Conference on Computational Nanoscience and Nanotechnology, ICCN 2002
      Publisher
      Cambridge
      Pages
      267 - 270
      Language
      English
      Type
      Conference Paper
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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
      Absorption
      Carbon nanotubes
      First-principles calculations
      Nanodevices
      SWNT
      Binding energy
      Chemical reactions
      Crystal lattices
      Deformation
      Electronic properties
      Graphite
      Mechanical properties
      Pressure effects
      Quantum interference devices
      Permalink
      http://hdl.handle.net/11693/27562
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      • Department of Physics 2299
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