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Title: Multiterminal junctions formed by heating ultrathin single-walled carbon nanotubes
Authors: Meng, FY
Shi, SQ 
Xu, DS
Yang, R
Issue Date: 15-Sep-2004
Source: Physical review. B, Condensed matter and materials physics, 15 Sept. 2004, v. 70, no. 12, 125418, p. 1-6
Abstract: Ultra-thin single-walled carbon nanotubes can be welded by heating to form molecular multi-terminal junctions at elevated temperatures without initially introducing structural defects such as vacancies and interstitials. This was demonstrated by classical molecular dynamics simulations with an empirical Brenner II potential and quantum mechanics calculation with PM3. The dynamic formation pathway of the junctions between crossed nanotube pairs was simulated. Junctions were established by forming intertube sp³-related covalent bonds and breaking of bonds in original nanotubes. The final configuration of junctions depends on the chirality of the crossed tube pairs and reaction temperature. Junction formation from nanotubes with larger diameters requires higher temperature.
Keywords: Heating
Molecular dynamics
Quantum mechanics
Simulation
Publisher: American Physical Society
Journal: Physical review. B, Condensed matter and materials physics 
ISSN: 1098-0121
EISSN: 1550-235X
DOI: 10.1103/PhysRevB.70.125418
Rights: Physical Review B © 2004 The American Physical Society. The Journal's web site is located at http://prb.aps.org/
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