SUPPLEMENTARY INFORMATION D0:10.1038/NMAT2858 1.5 5 1 0.4 (Ae)3 0 (A)3 0 0 6 (Ae)3 0 5 1 1 1 -1.5 -1.5 0.2 1.5 3 2 2 1 151 0.0 0.5 6008001000120014001600 0 . v(cm") 0.5 0.5 -1 1 15 1.5 3 6 mode 3' 0 6 8 10 12 14 16 Supplementary Figure S6 Electronic band structure change with vibrations of six normal modes for edge oxidized GNR.The change of electronic band structure is shown under vibration of six normal modes involving significant O displacements.In the band structures (right),the red lines are for excited system,and the ground state band structure is shown in the black dashed line.In the bottom,two dimensional electron density increase (solid)or decrease (dashed)is given for the mode 3'displacement.Note the contour levels are 0.1,0.2...e/A2 for the solid lines and-0.1,-0.2,...for the dashed lines. In case of edge oxidized GNR,all six vibration modes with significant O displacements are examined to check their effects on the electronic band structure (Fig.S6).Except for the mode b NATURE MATERIALS www.nature.com/naturematerials10 nature MATERIALS | www.nature.com/naturematerials supplementary information doi: 10.1038/nmat2858 10 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 Γ X E (eV) -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 Γ X E (eV) -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 Γ X E (eV) -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 Γ X E (eV) -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 Γ X E (eV) -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 Γ X E (eV) 1 2 3 4 5 6 mode ‘3’ 1 2 3 6 5 4 Supplementary Figure S6 Electronic band structure change with vibrations of six normal modes for edge oxidized GNR. The change of electronic band structure is shown under vibration of six normal modes involving significant O displacements. In the band structures (right), the red lines are for excited system, and the ground state band structure is shown in the black dashed line. In the bottom, two dimensional electron density increase (solid) or decrease (dashed) is given for the mode ‘3’ displacement. Note the contour levels are 0.1, 0.2,.. e/Ǻ2 for the solid lines and -0.1,-0.2,… for the dashed lines. In case of edge oxidized GNR, all six vibration modes with significant O displacements are examined to check their effects on the electronic band structure (Fig. S6). Except for the mode