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A theoretical study on the electronic and electrical properties of the single-walled carbon nanotubes with dichlorocarbene addition.

Electronic and electrical properties of several single-walled carbon nanotubes as well as their derived structures with multi-dichlorocarbene addition are investigated by using self-consistent field crystal orbital method based on density functional theory. The addition can convert metallic tubes into semiconducting ones and increase their carrier mobilities, which are comparable with those of the pristine semiconducting tube. With small amount of dichlorocarbenes, the mobility of semiconducting single-walled carbon nanotube does not decrease. The dichlorocarbene addition can be a good pathway for processing high mobility electronic devices for mixtures of semiconducting and metallic single-walled carbon nanotubes.