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http://hdl.handle.net/10397/4744
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/ |
Appears in Collections: | Journal/Magazine Article |
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File | Description | Size | Format | |
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Meng_Ultrathin_Single-walled_Carbon.pdf | 655.76 kB | Adobe PDF | View/Open |
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