Figure 1

The geometrical structure of the pristine SWCNT and Cu-chain-SWCNT. (a) Top view of the pristine SWCNT; (b) cross section of the pristine SWCNT; (c) top view of the Cu-chain-SWCNT after geometry optimization; (d) cross section of the Cu-chain-SWCNT after geometry optimization; (e) the two-probe model used to calculate the transport properties of the Cu-chain-SWCNT, which includes three parts: left electrode, right electrode and scattering region of length 1.704 nm. The C atoms of the pristine SWCNT (black-dashed rectangle) show the doped position of the Cu-atom-chain. ⊥ denotes the bonds perpendicular to the tube axis in the pristine SWCNT and Cu-chain-SWCNT. The numbers in (a) to (d) show the bond lengths; the bond length unit is Å. The two black-dashed-lines in (d) stand for the diameter of Cu-chain-SWCNT.