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      Theoretical study of crossed and parallel carbon nanotube junctions and three-dimensional grid structures

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      Author(s)
      Dag, S.
      Senger, R. T.
      Çıracı, Salim
      Date
      2004
      Source Title
      Physical Review B - Condensed Matter and Materials Physics
      Print ISSN
      0163-1829
      Publisher
      American Physical Society
      Volume
      70
      Issue
      20
      Pages
      205407-1 - 205407-9
      Language
      English
      Type
      Article
      Item Usage Stats
      216
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      214
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      Abstract
      This work presents a first-principles study of parallel and crossed junctions of single-wall carbon nanotubes (SWNT). The crossed junctions are modeled by two-dimensional grids of zigzag SWNTs. The atomic and electronic structure, stability, and energetics of the junctions are studied for different magnitudes of contact forces pressing the tubes towards each other and hence inducing radial deformations. Under relatively weak contact forces the tubes are linked with intertube bonds which allow a significant conductance through the junction. These interlinking bonds survive even after the contact forces are released and whole structure is fully relaxed. Upon increasing contact force and radial deformation the tube surfaces are flattened but the interlinking bonds are broken to lead to a relatively wider intertube spacing. The intertube conductance through such a junction diminish because of finite potential barrier intervening between the tubes. The linkage of crossing tubes to form stable junctions is enhanced by a vacancy created at the contact. The three-dimensional grid structure formed by SWNTs is also investigated as a possible framework in device integration.
      Keywords
      Ab initio calculation
      Article
      Atom
      Atomic force microscopy
      Calculation
      Chemical bond
      Conductance
      Electron
      Electron transport
      Energy transfer
      Force
      Nanotube
      Structure analysis
      Theoretical study
      Permalink
      http://hdl.handle.net/11693/24194
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.70.205407
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      • Department of Physics 2550
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