Electronic transport of CNT-encapsulated carbyne

Using density functional theory in combination with Green's functional formalism we study the effect of CNT-encapsulation on the electronic transport properties of 1D carbon allotrope – carbyne. Structural changes are obtained in carbyne for smaller size of CNT, resulting in strong reduction of the electronic transport. The current in this hybrid system increases with increasing the size of the CNT due to reduced electrostatic potential variations and it becomes larger than the sum of the currents obtained for pristine carbyne and CNT. With further increasing the CNT size, the current in the system decreases and saturates to the sum of the currents obtained for the isolated samples. The obtained results are independent of the encapsulation method (i.e., full or partial encapsulation) and the CNT type (armchair and zig-zag). These findings can be of practical importance for deployment of such hybrid systems in nanotechnology development.