Figure 5
The band structure of the pristine SWCNT (a) and Cu-chain-SWCNT (b). The density of states of the pristine SWCNT and Cu-chain-SWCNT (c), the replaced C-atom-chain (C-chain) and doped Cu-atom-chain (Cu-chain) (d) and other C atoms of the pristine SWCNT (other C of SWCNT) and other C atoms of the Cu-chain-SWCNT (other C of Cu-chain-SWCNT) (e). The Fermi level was set at 0 eV for both the band structure and DOS. The term C-chain refers to the C-atom-chain shown by the black-dashed rectangle in Fig. 1a and b, with the other C atoms in Fig. 1a labelled as other C of SWCNT. The term Cu-chain refers to the Cu-atom-chain shown in Fig. 1c, with the other C atoms in Fig. 1c labelled as other C of Cu-chain-SWCNT.
