Fig. 6: First-principle band calculation.

Band diagrams for a optimized structure based on bent molecules and b bulk structure of C8-DNBDT-NW. The Γ–Z and Γ–Y directions correspond to the c* and b* axis directions, respectively.

Band diagrams for a optimized structure based on bent molecules and b bulk structure of C8-DNBDT-NW. The Γ–Z and Γ–Y directions correspond to the c* and b* axis directions, respectively.