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Topological Stone-Wales defect in carbon nanotubes plays a central role inplastic deformation, chemical functionalization, and superstructure formation.Here, we systematically investigate the formation kinetics of such defectswithin density functional approach coupled with the transition state theory. Wefind that both the formation and activation energies depend critically on thenanotube chairality, diameter, and defect orientation. The microscopic originof the observed dependence is explained with curvature induced rehybridizationin nanotube. Surprisingly, the kinetic barrier follows an empiricalBr{\o}nsted-Evans-Polanyi type correlation with the corresponding formationenergy, and can be understood in terms of overlap between energy-coordinateparabolas representing the structures with and without the defect. Further, wepropose a possible route to substantially decrease the kinetic activationbarrier. Such accelerated rates of defect formation are desirable in many novelelectronic, mechanical and chemical applications, and also facilitate theformation of three-dimensional nanotube superstructures.

Kinetics of Topological Stone-Wales Defect Formation in Single Walled Carbon