Fig. 6: Gas-phase DFT band structures of possible edge-extended 7-AGNRs. | Communications Chemistry

Fig. 6: Gas-phase DFT band structures of possible edge-extended 7-AGNRs.

From: Preferential graphitic-nitrogen formation in pyridine-extended graphene nanoribbons

Fig. 6

Py-7-AGNR containing (a) graphitic-N1+ (b) pristine and (c) pyridinic-N. Bands with significant N contribution are highlighted by orange lines. The repetitive units are indicated by dotted square brackets in the chemical structure at the bottom of each panel. The graphitic-N1+ case is modeled with one electron per unit cell removed. For the band structure of the charge-neutral case, see Fig. SI 13c.

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