Theoretical study of crossed and parallel carbon nanotube junctions and three-dimensional grid structures
Date
2004Source 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
ArticleItem Usage Stats
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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 calculationArticle
Atom
Atomic force microscopy
Calculation
Chemical bond
Conductance
Electron
Electron transport
Energy transfer
Force
Nanotube
Structure analysis
Theoretical study