Hirshfeld-based atomic population analysis of the B, N doping effect in zigzag graphene nanoribbons: π electron density as requirement to follow the B, N doping guidelines

  1. Otero, N.
  2. Karamanis, P.
  3. Pouchan, C.
Journal:
Theoretical Chemistry Accounts

ISSN: 1432-881X

Year of publication: 2018

Volume: 137

Issue: 2

Type: Article

DOI: 10.1007/S00214-017-2189-5 GOOGLE SCHOLAR
Data source: Scopus