▎ 摘　　要

Doping graphene nanoribbons with various chemical elements leads to a change in their band structure, which expands significantly the range of application of these objects in modern electronic devices. The purpose of this work is to investigate graphene nanoribbons of "armchair" and "zigzag" types with different concentrations of pyrrole-like nitrogen at the edges. The most energetically favorable configurations of pyrrole-like nitrogen at each edge of graphene nanoribbons are established using the self-consistent charge density functional tight-binding (SCC DFTB) method. The relationship between the energy gaps of graphene nanoribbons and the content of functional nitrogen-containing groups in them is determined. Calculations show that, being incorporated into the atomic lattice, pyrrole-like nitrogen at the zigzag edge of a graphene nanoribbon transfers a larger charge to nearby carbon atoms, which makes such nanoribbons more chemically active in comparison with armchair-type nanoribbons. Nitrogen-doped zigzag graphene nanoribbons may be a promising chemoresistive element of nanosensors; however, these conclusions require further calculations.