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A Study of the Effect of Diameter, Chirality and Defects on the Energetic Stability of Carbon Nanotube Junctions
Abstract
Carbon nanotube junction (CNTJ) induces discontinuities (defects) on the regular hexagonal atom arrays of single-walled carbon nanotube (SWCNT) during junction formation. The degree of discontinuity depends on the nature (i.e. chirality) of participating SWCNT structures forming the junction, which eventually affects the stability/integrity of the junctions and its functional properties. The competing parameters on the energy stability of SWCNT junctions are diameter, chirality, and set of defects. Here in this work, the effect of each parameter on the energetic stability of SWCNT junction is discussed, in which SWCNT junctions are created using the systematic approach developed by Varshney et al1. Heptagons and pentagons of carbon atoms are found to be the most occurring defects on the lowest energy SWCNT-junction structures. Among the three parameters studied, the diameter is found to be the dominating parameter which determines the energetic stability of the junction.
DOI
10.12783/asc35/34941
10.12783/asc35/34941